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 3l97_1_B DATA FIRST_RESID 1001 DATA SEQUENCE ADTKAKLTLN GDTAVELDVL KGTLGQDVID IRTLGSKGVF TFDPGFTSTT DATA SEQUENCE SCESKITFID GDEGILLHRG FPIDQLATDS NYLEVCYILL NGEKPTQEQY DATA SEQUENCE DEFKTTVTRH TMIHEQITRL FHAFRRDSHP MAVMCGITGA LAAFYHDSLD DATA SEQUENCE VNNPRHREIA AFRLLSKMPT MAAMCYKYSI GQPFVYPRND LSYAGNFLNM DATA SEQUENCE MFSTPCEPYE VNPILERAMD RILILHADHE QNASTSTVRT AGSSGANPFA DATA SEQUENCE CIAAGIASLW GPAHGGANEA ALKMLEEIGK KENIPEFVRR AKDKNDSFRL DATA SEQUENCE MGFGHRVYKN YDPRATVMRE TCHEVLKELG TKDDLLEVAM ELENIALNDP DATA SEQUENCE YFIEKKLYPN VDFYSGIILK AMGIPSSMFT VIFAMARTVG WIAHWSEMHS DATA SEQUENCE DGMKIARPRQ LYTGYEKRDF KSDIKR 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 1001 A HA 0.000 nan 4.320 nan 0.000 0.244 1001 A C 0.000 177.583 177.584 -0.002 0.000 1.274 1001 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 1001 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 1002 D N 0.872 121.272 120.400 0.000 0.000 2.541 1002 D HA 0.078 4.718 4.640 -0.000 0.000 0.261 1002 D C 0.969 177.270 176.300 0.002 0.000 1.415 1002 D CA 1.453 55.453 54.000 0.001 0.000 1.059 1002 D CB 0.753 41.555 40.800 0.004 0.000 0.971 1002 D HN 0.369 nan 8.370 nan 0.000 0.308 1003 T N 1.028 115.584 114.554 0.004 0.000 3.256 1003 T HA 0.184 4.534 4.350 -0.000 0.000 0.237 1003 T C -0.801 173.901 174.700 0.004 0.000 0.908 1003 T CA -0.470 61.632 62.100 0.004 0.000 0.966 1003 T CB -0.732 68.139 68.868 0.005 0.000 1.134 1003 T HN 0.124 nan 8.240 nan 0.000 0.573 1004 K N 0.521 120.923 120.400 0.003 0.000 2.731 1004 K HA 0.594 4.914 4.320 -0.000 0.000 0.257 1004 K C -0.056 176.545 176.600 0.002 0.000 1.032 1004 K CA -0.703 55.586 56.287 0.003 0.000 0.983 1004 K CB 0.828 33.331 32.500 0.005 0.000 1.248 1004 K HN 0.060 nan 8.250 nan 0.000 0.484 1005 A N 3.502 126.323 122.820 0.001 0.000 2.179 1005 A HA 0.186 4.506 4.320 -0.000 0.000 0.224 1005 A C -0.052 177.532 177.584 -0.000 0.000 1.759 1005 A CA 0.729 52.766 52.037 0.000 0.000 0.688 1005 A CB -0.001 18.999 19.000 -0.000 0.000 1.342 1005 A HN 0.693 nan 8.150 nan 0.000 0.543 1006 K N 1.062 121.463 120.400 0.001 0.000 2.601 1006 K HA 0.527 4.847 4.320 -0.000 0.000 0.249 1006 K C -1.161 175.440 176.600 0.002 0.000 0.966 1006 K CA -0.470 55.818 56.287 0.000 0.000 0.827 1006 K CB 0.763 33.262 32.500 -0.001 0.000 1.178 1006 K HN 0.516 nan 8.250 nan 0.000 0.437 1007 L N -0.231 120.994 121.223 0.002 0.000 2.439 1007 L HA 0.670 5.010 4.340 -0.000 0.000 0.259 1007 L C -0.366 176.506 176.870 0.004 0.000 1.129 1007 L CA -0.401 54.442 54.840 0.004 0.000 0.803 1007 L CB 0.985 43.047 42.059 0.005 0.000 1.161 1007 L HN 0.515 nan 8.230 nan 0.000 0.462 1008 T N 2.740 117.297 114.554 0.005 0.000 2.906 1008 T HA 0.418 4.768 4.350 -0.000 0.000 0.302 1008 T C -0.692 174.013 174.700 0.008 0.000 1.002 1008 T CA -0.330 61.773 62.100 0.005 0.000 0.988 1008 T CB 1.271 70.142 68.868 0.005 0.000 0.972 1008 T HN 0.547 nan 8.240 nan 0.000 0.447 1009 L N 4.413 125.641 121.223 0.008 0.000 2.369 1009 L HA 0.403 4.743 4.340 -0.000 0.000 0.279 1009 L C -0.391 176.486 176.870 0.012 0.000 1.108 1009 L CA -0.062 54.785 54.840 0.012 0.000 0.852 1009 L CB 0.014 42.080 42.059 0.012 0.000 1.169 1009 L HN 0.464 nan 8.230 nan 0.000 0.452 1010 N N 4.641 123.349 118.700 0.014 0.000 2.546 1010 N HA 0.323 5.063 4.740 -0.000 0.000 0.238 1010 N C 0.401 175.920 175.510 0.015 0.000 0.984 1010 N CA 0.265 53.323 53.050 0.013 0.000 0.935 1010 N CB 1.776 40.270 38.487 0.011 0.000 1.122 1010 N HN 0.876 nan 8.380 nan 0.000 0.510 1011 G N 0.869 109.678 108.800 0.016 0.000 2.680 1011 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.224 1011 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.224 1011 G C 0.444 175.353 174.900 0.014 0.000 1.454 1011 G CA 0.420 45.530 45.100 0.018 0.000 0.900 1011 G HN 0.403 nan 8.290 nan 0.000 0.570 1012 D N -1.038 119.369 120.400 0.012 0.000 2.345 1012 D HA 0.158 4.798 4.640 -0.000 0.000 0.290 1012 D C -0.220 176.085 176.300 0.008 0.000 1.107 1012 D CA 0.411 54.417 54.000 0.010 0.000 0.836 1012 D CB 1.355 42.161 40.800 0.010 0.000 1.406 1012 D HN 0.181 nan 8.370 nan 0.000 0.532 1013 T N 1.112 115.672 114.554 0.009 0.000 2.840 1013 T HA 0.569 4.919 4.350 -0.000 0.000 0.287 1013 T C -0.120 174.584 174.700 0.007 0.000 0.991 1013 T CA -0.572 61.532 62.100 0.007 0.000 0.964 1013 T CB 2.282 71.154 68.868 0.007 0.000 0.954 1013 T HN 0.074 nan 8.240 nan 0.000 0.438 1014 A N 3.165 125.988 122.820 0.006 0.000 2.561 1014 A HA 0.396 4.716 4.320 -0.000 0.000 0.251 1014 A C 0.241 177.827 177.584 0.004 0.000 1.062 1014 A CA -0.080 51.960 52.037 0.005 0.000 0.761 1014 A CB -0.292 18.710 19.000 0.004 0.000 0.986 1014 A HN 0.722 nan 8.150 nan 0.000 0.510 1015 V N 4.900 124.817 119.914 0.004 0.000 2.313 1015 V HA 0.245 4.365 4.120 -0.000 0.000 0.278 1015 V C -0.084 176.011 176.094 0.001 0.000 1.017 1015 V CA -0.716 61.586 62.300 0.002 0.000 0.823 1015 V CB 1.148 32.972 31.823 0.003 0.000 1.010 1015 V HN 0.873 nan 8.190 nan 0.000 0.443 1016 E N 5.192 125.391 120.200 -0.000 0.000 2.229 1016 E HA 0.466 4.816 4.350 -0.000 0.000 0.283 1016 E C -0.839 175.759 176.600 -0.003 0.000 1.030 1016 E CA -0.213 56.186 56.400 -0.001 0.000 0.836 1016 E CB 2.208 31.908 29.700 -0.001 0.000 1.068 1016 E HN 0.535 nan 8.360 nan 0.000 0.401 1017 L N 3.786 125.007 121.223 -0.002 0.000 2.313 1017 L HA 0.211 4.551 4.340 -0.000 0.000 0.283 1017 L C 0.402 177.270 176.870 -0.003 0.000 1.013 1017 L CA -1.077 53.761 54.840 -0.004 0.000 0.816 1017 L CB 1.344 43.401 42.059 -0.003 0.000 1.236 1017 L HN 0.432 nan 8.230 nan 0.000 0.419 1018 D N 3.031 123.428 120.400 -0.005 0.000 2.383 1018 D HA 0.033 4.673 4.640 -0.000 0.000 0.252 1018 D C -0.056 176.242 176.300 -0.003 0.000 1.166 1018 D CA -0.242 53.756 54.000 -0.005 0.000 0.879 1018 D CB 2.429 43.225 40.800 -0.006 0.000 1.164 1018 D HN 0.168 nan 8.370 nan 0.000 0.462 1019 V N 4.057 123.970 119.914 -0.002 0.000 2.432 1019 V HA 0.149 4.269 4.120 -0.000 0.000 0.271 1019 V C -0.343 175.750 176.094 -0.001 0.000 1.046 1019 V CA -0.655 61.645 62.300 -0.000 0.000 0.945 1019 V CB 0.691 32.514 31.823 0.001 0.000 0.992 1019 V HN 0.428 nan 8.190 nan 0.000 0.471 1020 L N 6.579 127.802 121.223 -0.000 0.000 2.416 1020 L HA 0.640 4.980 4.340 -0.000 0.000 0.262 1020 L C 0.137 177.008 176.870 0.001 0.000 1.093 1020 L CA -0.324 54.515 54.840 -0.001 0.000 0.801 1020 L CB 1.234 43.293 42.059 -0.001 0.000 1.191 1020 L HN 0.646 nan 8.230 nan 0.000 0.459 1021 K N 0.199 120.598 120.400 -0.002 0.000 2.443 1021 K HA 0.568 4.888 4.320 -0.000 0.000 0.252 1021 K C -0.163 176.435 176.600 -0.004 0.000 0.933 1021 K CA -0.625 55.661 56.287 -0.002 0.000 0.792 1021 K CB 2.269 34.764 32.500 -0.008 0.000 1.185 1021 K HN 0.774 nan 8.250 nan 0.000 0.425 1022 G N 0.132 108.934 108.800 0.003 0.000 2.537 1022 G HA2 0.132 4.092 3.960 -0.000 0.000 0.273 1022 G HA3 0.132 4.092 3.960 -0.000 0.000 0.273 1022 G C 1.072 175.954 174.900 -0.030 0.000 1.189 1022 G CA -0.391 44.710 45.100 0.002 0.000 0.881 1022 G HN 0.649 nan 8.290 nan 0.000 0.535 1023 T N -1.487 113.034 114.554 -0.056 0.000 2.867 1023 T HA 0.098 4.448 4.350 -0.000 0.000 0.268 1023 T C 0.830 175.429 174.700 -0.169 0.000 1.057 1023 T CA 0.695 62.734 62.100 -0.101 0.000 1.136 1023 T CB -0.163 68.638 68.868 -0.113 0.000 0.874 1023 T HN 0.164 nan 8.240 nan 0.000 0.466 1024 L N 0.406 121.498 121.223 -0.218 0.000 2.422 1024 L HA 0.633 4.973 4.340 -0.000 0.000 0.264 1024 L C 0.615 177.452 176.870 -0.055 0.000 0.984 1024 L CA -0.355 54.251 54.840 -0.390 0.000 0.819 1024 L CB 1.994 43.332 42.059 -1.202 0.000 1.330 1024 L HN 0.586 nan 8.230 nan 0.000 0.410 1025 G N 1.719 110.569 108.800 0.084 0.000 2.828 1025 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.463 1025 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.463 1025 G C -0.713 174.252 174.900 0.108 0.000 1.394 1025 G CA -0.841 44.397 45.100 0.230 0.000 0.862 1025 G HN 0.486 nan 8.290 nan 0.000 0.540 1026 Q N 0.802 120.657 119.800 0.092 0.000 2.310 1026 Q HA 0.094 4.434 4.340 -0.000 0.000 0.315 1026 Q C 0.512 176.536 176.000 0.041 0.000 1.081 1026 Q CA 0.693 56.527 55.803 0.051 0.000 0.981 1026 Q CB 0.306 29.067 28.738 0.038 0.000 1.184 1026 Q HN 0.575 nan 8.270 nan 0.000 0.389 1027 D N 0.453 120.868 120.400 0.025 0.000 2.387 1027 D HA 0.484 5.124 4.640 -0.000 0.000 0.251 1027 D C 0.077 176.386 176.300 0.016 0.000 1.141 1027 D CA -0.389 53.621 54.000 0.017 0.000 0.987 1027 D CB 1.003 41.808 40.800 0.009 0.000 1.116 1027 D HN 0.308 nan 8.370 nan 0.000 0.491 1028 V N -2.744 117.178 119.914 0.013 0.000 3.160 1028 V HA 0.585 4.705 4.120 -0.000 0.000 0.310 1028 V C -0.218 175.881 176.094 0.008 0.000 1.181 1028 V CA -1.073 61.235 62.300 0.012 0.000 1.047 1028 V CB 1.495 33.326 31.823 0.014 0.000 1.068 1028 V HN 0.391 nan 8.190 nan 0.000 0.441 1029 I N 1.625 122.200 120.570 0.009 0.000 2.440 1029 I HA 0.371 4.541 4.170 -0.000 0.000 0.294 1029 I C -0.156 175.963 176.117 0.004 0.000 0.995 1029 I CA -0.046 61.258 61.300 0.006 0.000 1.306 1029 I CB 1.270 39.275 38.000 0.009 0.000 1.407 1029 I HN 0.735 nan 8.210 nan 0.000 0.501 1030 D N 5.932 126.331 120.400 -0.001 0.000 2.225 1030 D HA 0.401 5.041 4.640 -0.000 0.000 0.249 1030 D C 0.205 176.499 176.300 -0.010 0.000 1.052 1030 D CA -0.087 53.910 54.000 -0.006 0.000 0.909 1030 D CB 1.515 42.310 40.800 -0.010 0.000 1.186 1030 D HN 0.541 nan 8.370 nan 0.000 0.431 1031 I N -0.512 120.049 120.570 -0.015 0.000 4.014 1031 I HA 0.215 4.385 4.170 -0.000 0.000 0.339 1031 I C 1.176 177.265 176.117 -0.047 0.000 1.357 1031 I CA -0.574 60.710 61.300 -0.026 0.000 1.070 1031 I CB 0.368 38.361 38.000 -0.012 0.000 1.809 1031 I HN 0.073 nan 8.210 nan 0.000 0.664 1032 R N 1.826 122.301 120.500 -0.041 0.000 2.103 1032 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 1032 R C 2.170 178.422 176.300 -0.080 0.000 1.132 1032 R CA 2.867 58.937 56.100 -0.051 0.000 0.925 1032 R CB -0.637 29.642 30.300 -0.037 0.000 0.842 1032 R HN 0.664 nan 8.270 nan 0.000 0.430 1033 T N -0.389 114.121 114.554 -0.073 0.000 3.113 1033 T HA 0.047 4.397 4.350 -0.000 0.000 0.263 1033 T C 1.888 176.510 174.700 -0.129 0.000 1.143 1033 T CA 0.352 62.399 62.100 -0.087 0.000 1.090 1033 T CB -0.218 68.616 68.868 -0.057 0.000 0.922 1033 T HN 0.101 nan 8.240 nan 0.000 0.521 1034 L N 1.107 122.244 121.223 -0.144 0.000 2.034 1034 L HA -0.178 4.162 4.340 -0.000 0.000 0.217 1034 L C 3.039 179.712 176.870 -0.328 0.000 1.077 1034 L CA 1.947 56.678 54.840 -0.181 0.000 0.769 1034 L CB -1.384 40.576 42.059 -0.165 0.000 0.890 1034 L HN 0.523 nan 8.230 nan 0.000 0.435 1035 G N -1.011 107.466 108.800 -0.538 0.000 2.491 1035 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 1035 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 1035 G C 1.497 176.193 174.900 -0.339 0.000 1.180 1035 G CA 0.969 45.526 45.100 -0.905 0.000 0.774 1035 G HN 0.417 nan 8.290 nan 0.000 0.562 1036 S N 0.124 115.714 115.700 -0.182 0.000 2.571 1036 S HA 0.006 4.476 4.470 -0.000 0.000 0.245 1036 S C 1.124 175.697 174.600 -0.045 0.000 0.976 1036 S CA 0.897 59.054 58.200 -0.071 0.000 0.954 1036 S CB -0.088 63.080 63.200 -0.055 0.000 0.756 1036 S HN 0.500 nan 8.310 nan 0.000 0.535 1037 K N -0.279 120.081 120.400 -0.068 0.000 3.012 1037 K HA 0.268 4.588 4.320 -0.000 0.000 0.207 1037 K C 0.913 177.525 176.600 0.020 0.000 1.130 1037 K CA 0.039 56.314 56.287 -0.020 0.000 1.021 1037 K CB 0.798 33.280 32.500 -0.031 0.000 0.736 1037 K HN 0.161 nan 8.250 nan 0.000 0.448 1038 G N 1.137 109.988 108.800 0.085 0.000 2.243 1038 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.276 1038 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.276 1038 G C 0.174 175.301 174.900 0.379 0.000 0.997 1038 G CA 1.002 46.285 45.100 0.305 0.000 0.693 1038 G HN 0.358 nan 8.290 nan 0.000 0.529 1039 V N 0.726 120.700 119.914 0.100 0.000 2.333 1039 V HA 0.767 4.887 4.120 -0.000 0.000 0.274 1039 V C -0.590 175.510 176.094 0.009 0.000 1.028 1039 V CA -1.238 61.144 62.300 0.136 0.000 0.851 1039 V CB 0.284 32.130 31.823 0.039 0.000 1.000 1039 V HN 0.195 nan 8.190 nan 0.000 0.456 1040 F N 3.768 123.744 119.950 0.045 0.000 2.522 1040 F HA 0.711 5.238 4.527 -0.000 0.000 0.324 1040 F C 0.793 176.641 175.800 0.081 0.000 1.077 1040 F CA -0.639 57.399 58.000 0.063 0.000 0.944 1040 F CB 2.129 41.172 39.000 0.071 0.000 1.175 1040 F HN 0.607 nan 8.300 nan 0.000 0.468 1041 T N -1.292 113.416 114.554 0.256 0.000 2.881 1041 T HA 0.628 4.978 4.350 -0.000 0.000 0.278 1041 T C -1.048 173.818 174.700 0.276 0.000 0.982 1041 T CA -0.538 61.686 62.100 0.206 0.000 0.989 1041 T CB 1.431 70.375 68.868 0.127 0.000 1.058 1041 T HN 0.472 nan 8.240 nan 0.000 0.529 1042 F N 1.162 121.138 119.950 0.044 0.000 2.553 1042 F HA 0.492 5.019 4.527 -0.000 0.000 0.335 1042 F C -1.119 174.654 175.800 -0.045 0.000 1.148 1042 F CA -0.689 57.311 58.000 0.000 0.000 0.963 1042 F CB 1.491 40.489 39.000 -0.004 0.000 1.217 1042 F HN 0.692 nan 8.300 nan 0.000 0.441 1043 D N 7.672 127.709 120.400 -0.604 0.000 2.823 1043 D HA 0.301 4.941 4.640 -0.000 0.000 0.255 1043 D C -2.849 172.967 176.300 -0.807 0.000 1.257 1043 D CA -1.586 52.068 54.000 -0.576 0.000 0.803 1043 D CB 1.106 41.740 40.800 -0.276 0.000 1.384 1043 D HN 0.118 nan 8.370 nan 0.000 0.541 1044 P HA 0.393 nan 4.420 nan 0.000 0.271 1044 P C 0.703 177.692 177.300 -0.518 0.000 1.380 1044 P CA 0.265 62.928 63.100 -0.729 0.000 0.992 1044 P CB 0.900 32.255 31.700 -0.573 0.000 1.230 1045 G N 1.726 110.178 108.800 -0.580 0.000 3.509 1045 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.220 1045 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.220 1045 G C 0.340 175.170 174.900 -0.116 0.000 0.951 1045 G CA -0.529 44.414 45.100 -0.261 0.000 0.844 1045 G HN 0.204 nan 8.290 nan 0.000 0.568 1046 F N 1.393 121.291 119.950 -0.086 0.000 3.105 1046 F HA -0.266 4.261 4.527 -0.000 0.000 0.280 1046 F C 2.116 177.884 175.800 -0.053 0.000 0.894 1046 F CA 1.866 59.829 58.000 -0.063 0.000 0.992 1046 F CB -2.281 36.690 39.000 -0.049 0.000 1.047 1046 F HN 0.474 nan 8.300 nan 0.000 0.607 1047 T N -6.482 108.101 114.554 0.048 0.000 3.088 1047 T HA 0.088 4.438 4.350 -0.000 0.000 0.259 1047 T C 1.514 176.225 174.700 0.018 0.000 1.122 1047 T CA 1.076 63.189 62.100 0.022 0.000 1.095 1047 T CB 0.150 69.010 68.868 -0.014 0.000 0.930 1047 T HN 0.284 nan 8.240 nan 0.000 0.508 1048 S N 0.317 116.032 115.700 0.025 0.000 2.604 1048 S HA 0.200 4.670 4.470 -0.000 0.000 0.235 1048 S C 0.385 175.015 174.600 0.049 0.000 1.043 1048 S CA -0.434 57.780 58.200 0.023 0.000 0.997 1048 S CB 0.664 63.867 63.200 0.005 0.000 0.956 1048 S HN 0.505 nan 8.310 nan 0.000 0.535 1049 T N 3.270 117.883 114.554 0.097 0.000 2.767 1049 T HA 0.328 4.678 4.350 -0.000 0.000 0.288 1049 T C -0.248 174.503 174.700 0.086 0.000 0.963 1049 T CA -0.147 62.029 62.100 0.126 0.000 1.019 1049 T CB 1.295 70.326 68.868 0.273 0.000 0.923 1049 T HN -0.041 nan 8.240 nan 0.000 0.468 1050 T N 2.966 117.545 114.554 0.043 0.000 2.875 1050 T HA 0.139 4.489 4.350 -0.000 0.000 0.307 1050 T C 1.788 176.478 174.700 -0.016 0.000 1.013 1050 T CA -0.475 61.632 62.100 0.012 0.000 0.970 1050 T CB 0.413 69.288 68.868 0.012 0.000 0.986 1050 T HN 0.772 nan 8.240 nan 0.000 0.536 1051 S N 2.368 118.035 115.700 -0.055 0.000 2.365 1051 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 1051 S C 1.170 175.728 174.600 -0.069 0.000 1.039 1051 S CA 0.806 58.938 58.200 -0.112 0.000 1.033 1051 S CB -0.719 62.382 63.200 -0.166 0.000 0.887 1051 S HN 0.940 nan 8.310 nan 0.000 0.447 1052 C N -1.059 118.219 119.300 -0.037 0.000 3.336 1052 C HA 0.800 5.260 4.460 -0.000 0.000 0.339 1052 C C -0.933 174.061 174.990 0.006 0.000 1.468 1052 C CA -1.083 57.925 59.018 -0.017 0.000 1.287 1052 C CB 1.057 28.789 27.740 -0.013 0.000 1.682 1052 C HN 0.650 nan 8.230 nan 0.000 0.451 1053 E N 1.109 121.316 120.200 0.011 0.000 2.179 1053 E HA 0.670 5.020 4.350 -0.000 0.000 0.275 1053 E C -0.722 175.898 176.600 0.035 0.000 0.945 1053 E CA 0.104 56.517 56.400 0.021 0.000 0.792 1053 E CB 1.780 31.486 29.700 0.009 0.000 1.125 1053 E HN 0.833 nan 8.360 nan 0.000 0.397 1054 S N 2.630 118.360 115.700 0.051 0.000 2.720 1054 S HA 0.508 4.977 4.470 -0.000 0.000 0.287 1054 S C -0.568 174.062 174.600 0.050 0.000 1.168 1054 S CA -0.578 57.658 58.200 0.060 0.000 0.832 1054 S CB 1.294 64.561 63.200 0.111 0.000 1.166 1054 S HN 0.601 nan 8.310 nan 0.000 0.493 1055 K N 0.460 120.882 120.400 0.035 0.000 2.608 1055 K HA 0.339 4.659 4.320 -0.000 0.000 0.209 1055 K C 0.903 177.522 176.600 0.030 0.000 1.369 1055 K CA 0.108 56.411 56.287 0.027 0.000 1.029 1055 K CB 0.223 32.724 32.500 0.001 0.000 1.139 1055 K HN 0.417 nan 8.250 nan 0.000 0.623 1056 I N 0.949 121.528 120.570 0.015 0.000 2.185 1056 I HA -0.066 4.104 4.170 -0.000 0.000 0.235 1056 I C 0.645 176.842 176.117 0.134 0.000 1.069 1056 I CA 1.107 62.409 61.300 0.004 0.000 1.354 1056 I CB 0.090 37.980 38.000 -0.184 0.000 1.093 1056 I HN -0.080 nan 8.210 nan 0.000 0.411 1057 T N 0.945 115.613 114.554 0.190 0.000 2.856 1057 T HA 0.450 4.800 4.350 -0.000 0.000 0.283 1057 T C -1.182 173.660 174.700 0.236 0.000 1.008 1057 T CA -0.265 62.005 62.100 0.283 0.000 0.997 1057 T CB 2.109 71.202 68.868 0.376 0.000 0.992 1057 T HN 0.032 nan 8.240 nan 0.000 0.454 1058 F N 3.297 123.275 119.950 0.046 0.000 2.529 1058 F HA 0.759 5.286 4.527 -0.000 0.000 0.320 1058 F C -1.482 174.318 175.800 -0.000 0.000 1.118 1058 F CA -1.030 56.978 58.000 0.013 0.000 0.915 1058 F CB 0.858 39.855 39.000 -0.005 0.000 1.161 1058 F HN 0.428 nan 8.300 nan 0.000 0.445 1059 I N 5.420 125.417 120.570 -0.954 0.000 2.499 1059 I HA 0.251 4.421 4.170 -0.000 0.000 0.288 1059 I C -1.434 174.093 176.117 -0.983 0.000 1.048 1059 I CA -0.685 60.189 61.300 -0.709 0.000 1.062 1059 I CB 1.923 39.651 38.000 -0.453 0.000 1.238 1059 I HN 0.477 nan 8.210 nan 0.000 0.426 1060 D N 5.164 125.221 120.400 -0.573 0.000 2.464 1060 D HA 0.265 4.905 4.640 -0.000 0.000 0.243 1060 D C 0.967 177.187 176.300 -0.133 0.000 1.104 1060 D CA -0.212 53.605 54.000 -0.305 0.000 0.883 1060 D CB 1.745 42.553 40.800 0.012 0.000 1.050 1060 D HN 0.725 nan 8.370 nan 0.000 0.524 1061 G N 3.502 112.183 108.800 -0.199 0.000 2.777 1061 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.217 1061 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.217 1061 G C 1.121 176.005 174.900 -0.026 0.000 1.295 1061 G CA 1.009 46.013 45.100 -0.159 0.000 0.800 1061 G HN 0.513 nan 8.290 nan 0.000 0.637 1062 D N 0.709 121.095 120.400 -0.023 0.000 2.192 1062 D HA -0.136 4.504 4.640 -0.000 0.000 0.189 1062 D C 2.275 178.587 176.300 0.019 0.000 1.007 1062 D CA 1.414 55.420 54.000 0.010 0.000 0.859 1062 D CB -0.316 40.494 40.800 0.017 0.000 0.936 1062 D HN 0.296 nan 8.370 nan 0.000 0.447 1063 E N -0.102 120.114 120.200 0.027 0.000 2.338 1063 E HA -0.020 4.330 4.350 -0.000 0.000 0.197 1063 E C 1.378 177.974 176.600 -0.007 0.000 1.007 1063 E CA 0.811 57.241 56.400 0.051 0.000 0.849 1063 E CB -0.267 29.480 29.700 0.077 0.000 0.774 1063 E HN 0.441 nan 8.360 nan 0.000 0.506 1064 G N 1.459 110.204 108.800 -0.092 0.000 2.246 1064 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.273 1064 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.273 1064 G C 0.123 174.885 174.900 -0.229 0.000 1.055 1064 G CA 0.120 44.964 45.100 -0.428 0.000 0.851 1064 G HN 0.141 nan 8.290 nan 0.000 0.500 1065 I N 0.003 120.585 120.570 0.020 0.000 2.359 1065 I HA 0.686 4.856 4.170 -0.000 0.000 0.294 1065 I C 0.031 176.200 176.117 0.087 0.000 0.987 1065 I CA -1.119 60.221 61.300 0.066 0.000 1.225 1065 I CB 1.534 39.624 38.000 0.149 0.000 1.366 1065 I HN 0.207 nan 8.210 nan 0.000 0.466 1066 L N 8.310 129.568 121.223 0.059 0.000 2.476 1066 L HA 0.605 4.945 4.340 -0.000 0.000 0.269 1066 L C -1.713 175.129 176.870 -0.047 0.000 0.965 1066 L CA -0.157 54.694 54.840 0.019 0.000 0.845 1066 L CB 1.610 43.699 42.059 0.050 0.000 1.259 1066 L HN 0.409 nan 8.230 nan 0.000 0.403 1067 L N 4.318 125.525 121.223 -0.027 0.000 2.370 1067 L HA 0.627 4.967 4.340 -0.000 0.000 0.266 1067 L C -1.028 175.790 176.870 -0.087 0.000 1.002 1067 L CA -0.875 53.953 54.840 -0.020 0.000 0.818 1067 L CB 2.121 44.251 42.059 0.117 0.000 1.325 1067 L HN 0.515 nan 8.230 nan 0.000 0.418 1068 H N 3.908 123.086 119.070 0.181 0.000 2.708 1068 H HA 0.391 4.947 4.556 0.000 0.000 0.320 1068 H C -0.357 175.108 175.328 0.229 0.000 0.991 1068 H CA -0.640 55.511 56.048 0.171 0.000 1.243 1068 H CB 1.537 31.385 29.762 0.143 0.000 1.446 1068 H HN 0.447 nan 8.280 nan 0.000 0.502 1069 R N 1.951 122.603 120.500 0.253 0.000 3.525 1069 R HA -0.207 4.132 4.340 -0.000 0.000 0.276 1069 R C 1.150 177.412 176.300 -0.062 0.000 1.116 1069 R CA 0.920 57.113 56.100 0.154 0.000 0.745 1069 R CB -2.163 28.306 30.300 0.281 0.000 1.185 1069 R HN 1.188 nan 8.270 nan 0.000 0.454 1070 G N -1.561 107.185 108.800 -0.089 0.000 2.299 1070 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.237 1070 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.237 1070 G C 0.202 174.924 174.900 -0.298 0.000 1.027 1070 G CA 0.181 45.110 45.100 -0.285 0.000 0.619 1070 G HN 0.260 nan 8.290 nan 0.000 0.513 1071 F N 2.847 122.818 119.950 0.035 0.000 2.443 1071 F HA 0.517 5.044 4.527 -0.000 0.000 0.353 1071 F C -1.760 174.049 175.800 0.016 0.000 1.101 1071 F CA -2.195 55.821 58.000 0.026 0.000 1.226 1071 F CB 0.649 39.671 39.000 0.037 0.000 1.140 1071 F HN -0.136 nan 8.300 nan 0.000 0.557 1072 P HA 0.004 nan 4.420 nan 0.000 0.271 1072 P C 0.899 178.244 177.300 0.074 0.000 1.226 1072 P CA -0.069 63.082 63.100 0.085 0.000 0.765 1072 P CB 0.653 32.391 31.700 0.064 0.000 0.835 1073 I N 3.297 123.871 120.570 0.007 0.000 2.381 1073 I HA -0.301 3.869 4.170 -0.000 0.000 0.255 1073 I C 1.143 177.270 176.117 0.017 0.000 1.140 1073 I CA 1.895 63.195 61.300 0.001 0.000 1.404 1073 I CB -0.576 37.381 38.000 -0.072 0.000 1.075 1073 I HN 0.282 nan 8.210 nan 0.000 0.433 1074 D N -0.020 120.385 120.400 0.008 0.000 2.084 1074 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 1074 D C 2.211 178.515 176.300 0.007 0.000 0.990 1074 D CA 1.405 55.404 54.000 -0.001 0.000 0.826 1074 D CB -0.266 40.532 40.800 -0.004 0.000 0.971 1074 D HN 0.508 nan 8.370 nan 0.000 0.453 1075 Q N -0.126 119.689 119.800 0.027 0.000 2.050 1075 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 1075 Q C 2.519 178.521 176.000 0.002 0.000 0.980 1075 Q CA 0.787 56.604 55.803 0.022 0.000 0.840 1075 Q CB -0.156 28.616 28.738 0.056 0.000 0.898 1075 Q HN 0.308 nan 8.270 nan 0.000 0.424 1076 L N 0.225 121.458 121.223 0.016 0.000 1.989 1076 L HA -0.186 4.153 4.340 -0.000 0.000 0.211 1076 L C 2.300 179.168 176.870 -0.003 0.000 1.071 1076 L CA 1.076 55.909 54.840 -0.010 0.000 0.749 1076 L CB -0.622 41.462 42.059 0.042 0.000 0.890 1076 L HN 0.193 nan 8.230 nan 0.000 0.431 1077 A N -1.573 121.254 122.820 0.012 0.000 2.264 1077 A HA -0.062 4.258 4.320 -0.000 0.000 0.207 1077 A C 1.889 179.468 177.584 -0.008 0.000 1.196 1077 A CA 1.665 53.704 52.037 0.003 0.000 0.778 1077 A CB -0.520 18.475 19.000 -0.008 0.000 0.779 1077 A HN 0.475 nan 8.150 nan 0.000 0.483 1078 T N -1.958 112.588 114.554 -0.013 0.000 3.057 1078 T HA 0.068 4.418 4.350 -0.000 0.000 0.254 1078 T C 0.848 175.534 174.700 -0.022 0.000 0.965 1078 T CA 0.479 62.569 62.100 -0.016 0.000 0.978 1078 T CB 0.148 69.006 68.868 -0.017 0.000 1.169 1078 T HN 0.408 nan 8.240 nan 0.000 0.489 1079 D N 0.886 121.266 120.400 -0.034 0.000 2.417 1079 D HA 0.270 4.910 4.640 -0.000 0.000 0.207 1079 D C 1.131 177.386 176.300 -0.074 0.000 1.075 1079 D CA 0.226 54.197 54.000 -0.049 0.000 0.851 1079 D CB 0.746 41.515 40.800 -0.051 0.000 0.976 1079 D HN 0.260 nan 8.370 nan 0.000 0.505 1080 S N 0.272 115.926 115.700 -0.077 0.000 2.505 1080 S HA 0.461 4.931 4.470 -0.000 0.000 0.273 1080 S C -0.504 174.065 174.600 -0.052 0.000 1.123 1080 S CA -0.537 57.602 58.200 -0.102 0.000 1.006 1080 S CB 0.854 63.977 63.200 -0.129 0.000 1.243 1080 S HN 0.343 nan 8.310 nan 0.000 0.498 1081 N N -1.420 117.261 118.700 -0.031 0.000 2.710 1081 N HA 0.192 4.932 4.740 -0.000 0.000 0.257 1081 N C -0.208 175.346 175.510 0.073 0.000 1.327 1081 N CA -0.686 52.389 53.050 0.040 0.000 0.861 1081 N CB 0.362 38.888 38.487 0.065 0.000 1.532 1081 N HN 0.470 nan 8.380 nan 0.000 0.499 1082 Y N 1.347 121.610 120.300 -0.062 0.000 2.096 1082 Y HA -0.248 4.302 4.550 -0.000 0.000 0.278 1082 Y C 1.759 177.621 175.900 -0.062 0.000 1.192 1082 Y CA 1.879 59.895 58.100 -0.140 0.000 1.143 1082 Y CB -0.241 38.017 38.460 -0.336 0.000 0.963 1082 Y HN 0.629 nan 8.280 nan 0.000 0.505 1083 L N -0.314 120.918 121.223 0.015 0.000 1.994 1083 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 1083 L C 2.576 179.554 176.870 0.179 0.000 1.071 1083 L CA 2.043 56.974 54.840 0.152 0.000 0.745 1083 L CB -0.711 41.585 42.059 0.396 0.000 0.892 1083 L HN 0.276 nan 8.230 nan 0.000 0.431 1084 E N 0.031 120.329 120.200 0.164 0.000 2.077 1084 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 1084 E C 2.203 178.769 176.600 -0.057 0.000 0.989 1084 E CA 1.447 57.868 56.400 0.034 0.000 0.800 1084 E CB 0.113 29.729 29.700 -0.139 0.000 0.746 1084 E HN 0.220 nan 8.360 nan 0.000 0.452 1085 V N 0.657 120.513 119.914 -0.096 0.000 2.237 1085 V HA -0.364 3.756 4.120 -0.000 0.000 0.245 1085 V C 2.629 178.610 176.094 -0.188 0.000 1.046 1085 V CA 1.799 64.019 62.300 -0.132 0.000 1.007 1085 V CB -0.614 31.150 31.823 -0.099 0.000 0.638 1085 V HN 0.574 nan 8.190 nan 0.000 0.445 1086 C N -0.818 118.301 119.300 -0.302 0.000 2.367 1086 C HA -0.281 4.179 4.460 -0.000 0.000 0.276 1086 C C 2.630 177.469 174.990 -0.252 0.000 1.195 1086 C CA 1.789 60.613 59.018 -0.323 0.000 1.756 1086 C CB -1.188 26.349 27.740 -0.339 0.000 2.046 1086 C HN 0.727 nan 8.230 nan 0.000 0.453 1087 Y N 1.388 121.396 120.300 -0.487 0.000 2.114 1087 Y HA -0.235 4.315 4.550 -0.000 0.000 0.282 1087 Y C 2.117 177.766 175.900 -0.418 0.000 1.165 1087 Y CA 1.821 59.411 58.100 -0.851 0.000 1.148 1087 Y CB -0.553 37.339 38.460 -0.947 0.000 0.972 1087 Y HN 0.349 nan 8.280 nan 0.000 0.504 1088 I N -0.259 120.298 120.570 -0.021 0.000 2.058 1088 I HA -0.392 3.778 4.170 -0.000 0.000 0.235 1088 I C 2.446 178.506 176.117 -0.095 0.000 1.053 1088 I CA 1.871 63.176 61.300 0.009 0.000 1.313 1088 I CB -0.736 37.263 38.000 -0.001 0.000 1.039 1088 I HN 0.234 nan 8.210 nan 0.000 0.396 1089 L N 0.207 121.360 121.223 -0.116 0.000 2.034 1089 L HA -0.290 4.050 4.340 -0.000 0.000 0.217 1089 L C 2.523 179.296 176.870 -0.161 0.000 1.077 1089 L CA 1.616 56.381 54.840 -0.125 0.000 0.769 1089 L CB -0.726 41.225 42.059 -0.180 0.000 0.890 1089 L HN 0.309 nan 8.230 nan 0.000 0.435 1090 L N -0.777 120.306 121.223 -0.233 0.000 2.093 1090 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 1090 L C 1.767 178.467 176.870 -0.283 0.000 1.085 1090 L CA 1.004 55.695 54.840 -0.249 0.000 0.755 1090 L CB -0.392 41.492 42.059 -0.291 0.000 0.904 1090 L HN 0.389 nan 8.230 nan 0.000 0.435 1091 N N -0.667 117.786 118.700 -0.412 0.000 2.205 1091 N HA 0.089 4.829 4.740 -0.000 0.000 0.201 1091 N C 1.406 176.839 175.510 -0.128 0.000 1.128 1091 N CA 0.925 53.759 53.050 -0.360 0.000 0.867 1091 N CB 1.312 39.334 38.487 -0.775 0.000 0.996 1091 N HN 0.348 nan 8.380 nan 0.000 0.503 1092 G N 0.925 109.689 108.800 -0.060 0.000 2.220 1092 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.269 1092 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.269 1092 G C 0.008 174.988 174.900 0.133 0.000 0.977 1092 G CA 0.642 45.764 45.100 0.035 0.000 0.634 1092 G HN 0.350 nan 8.290 nan 0.000 0.539 1093 E N -0.324 119.986 120.200 0.183 0.000 2.429 1093 E HA 0.409 4.759 4.350 -0.000 0.000 0.276 1093 E C -0.175 176.603 176.600 0.297 0.000 0.953 1093 E CA -0.775 55.785 56.400 0.266 0.000 0.787 1093 E CB 1.232 31.050 29.700 0.197 0.000 1.307 1093 E HN 0.544 nan 8.360 nan 0.000 0.458 1094 K N 0.979 121.484 120.400 0.176 0.000 2.249 1094 K HA 0.407 4.727 4.320 -0.000 0.000 0.280 1094 K C -2.230 174.286 176.600 -0.141 0.000 1.033 1094 K CA -1.338 54.923 56.287 -0.044 0.000 0.946 1094 K CB 0.451 32.846 32.500 -0.174 0.000 1.005 1094 K HN 0.094 nan 8.250 nan 0.000 0.469 1095 P HA 0.021 nan 4.420 nan 0.000 0.272 1095 P C -0.680 176.444 177.300 -0.293 0.000 1.240 1095 P CA -0.308 62.376 63.100 -0.693 0.000 0.791 1095 P CB 0.695 31.655 31.700 -1.233 0.000 0.978 1096 T N 0.812 115.252 114.554 -0.190 0.000 2.934 1096 T HA 0.094 4.444 4.350 -0.000 0.000 0.283 1096 T C 1.310 175.987 174.700 -0.039 0.000 1.005 1096 T CA -0.184 61.866 62.100 -0.083 0.000 1.041 1096 T CB 1.022 69.870 68.868 -0.033 0.000 1.042 1096 T HN 0.358 nan 8.240 nan 0.000 0.505 1097 Q N 1.336 121.130 119.800 -0.010 0.000 2.156 1097 Q HA -0.238 4.102 4.340 -0.000 0.000 0.211 1097 Q C 2.273 178.335 176.000 0.103 0.000 0.995 1097 Q CA 2.229 58.069 55.803 0.062 0.000 0.877 1097 Q CB -0.127 28.635 28.738 0.039 0.000 0.920 1097 Q HN 0.816 nan 8.270 nan 0.000 0.416 1098 E N -0.515 119.716 120.200 0.052 0.000 2.072 1098 E HA -0.241 4.109 4.350 -0.000 0.000 0.191 1098 E C 1.860 178.495 176.600 0.059 0.000 0.985 1098 E CA 1.398 57.829 56.400 0.052 0.000 0.801 1098 E CB -0.397 29.326 29.700 0.039 0.000 0.750 1098 E HN 0.580 nan 8.360 nan 0.000 0.452 1099 Q N -0.116 119.703 119.800 0.031 0.000 2.083 1099 Q HA -0.138 4.201 4.340 -0.000 0.000 0.198 1099 Q C 2.064 178.086 176.000 0.037 0.000 0.969 1099 Q CA 1.602 57.428 55.803 0.038 0.000 0.838 1099 Q CB -0.352 28.345 28.738 -0.068 0.000 0.900 1099 Q HN 0.413 nan 8.270 nan 0.000 0.436 1100 Y N 1.793 121.997 120.300 -0.160 0.000 2.200 1100 Y HA -0.194 4.356 4.550 0.000 0.000 0.290 1100 Y C 1.488 177.449 175.900 0.102 0.000 1.137 1100 Y CA 1.478 59.527 58.100 -0.085 0.000 1.163 1100 Y CB 0.100 38.465 38.460 -0.160 0.000 0.988 1100 Y HN 0.048 nan 8.280 nan 0.000 0.518 1101 D N 0.217 120.608 120.400 -0.014 0.000 2.183 1101 D HA -0.175 4.465 4.640 -0.000 0.000 0.203 1101 D C 1.965 178.227 176.300 -0.063 0.000 0.969 1101 D CA 1.403 55.352 54.000 -0.086 0.000 0.842 1101 D CB -0.246 40.585 40.800 0.052 0.000 0.957 1101 D HN 0.643 nan 8.370 nan 0.000 0.484 1102 E N -0.252 119.962 120.200 0.023 0.000 2.046 1102 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 1102 E C 1.997 178.642 176.600 0.076 0.000 0.982 1102 E CA 0.383 56.811 56.400 0.047 0.000 0.800 1102 E CB -0.172 29.584 29.700 0.094 0.000 0.756 1102 E HN 0.141 nan 8.360 nan 0.000 0.449 1103 F N 2.251 122.205 119.950 0.007 0.000 2.069 1103 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 1103 F C 2.379 178.188 175.800 0.015 0.000 1.113 1103 F CA 2.167 60.239 58.000 0.119 0.000 1.214 1103 F CB -0.266 38.873 39.000 0.231 0.000 0.978 1103 F HN -0.102 nan 8.300 nan 0.000 0.474 1104 K N -0.686 119.671 120.400 -0.072 0.000 2.281 1104 K HA -0.162 4.158 4.320 -0.000 0.000 0.203 1104 K C 1.772 178.281 176.600 -0.150 0.000 1.046 1104 K CA 1.767 57.939 56.287 -0.191 0.000 0.938 1104 K CB -0.225 32.044 32.500 -0.385 0.000 0.737 1104 K HN 0.343 nan 8.250 nan 0.000 0.458 1105 T N -0.060 114.413 114.554 -0.136 0.000 2.668 1105 T HA -0.088 4.262 4.350 -0.000 0.000 0.258 1105 T C 1.738 176.327 174.700 -0.185 0.000 1.051 1105 T CA 1.774 63.795 62.100 -0.131 0.000 1.155 1105 T CB -0.476 68.332 68.868 -0.099 0.000 0.864 1105 T HN 0.273 nan 8.240 nan 0.000 0.413 1106 T N 2.171 116.587 114.554 -0.230 0.000 2.778 1106 T HA -0.111 4.239 4.350 -0.000 0.000 0.269 1106 T C 2.099 176.675 174.700 -0.206 0.000 1.050 1106 T CA 0.985 62.894 62.100 -0.318 0.000 1.137 1106 T CB -0.550 67.904 68.868 -0.690 0.000 0.860 1106 T HN 0.115 nan 8.240 nan 0.000 0.468 1107 V N 1.885 121.683 119.914 -0.193 0.000 2.239 1107 V HA -0.165 3.955 4.120 -0.000 0.000 0.242 1107 V C 3.041 179.111 176.094 -0.040 0.000 1.038 1107 V CA 2.158 64.431 62.300 -0.045 0.000 1.002 1107 V CB -1.419 30.340 31.823 -0.105 0.000 0.641 1107 V HN 0.692 nan 8.190 nan 0.000 0.449 1108 T N -0.986 113.520 114.554 -0.080 0.000 2.849 1108 T HA -0.218 4.132 4.350 -0.000 0.000 0.270 1108 T C 1.578 176.189 174.700 -0.147 0.000 1.066 1108 T CA 0.983 63.036 62.100 -0.078 0.000 1.130 1108 T CB -0.370 68.464 68.868 -0.057 0.000 0.864 1108 T HN 0.260 nan 8.240 nan 0.000 0.481 1109 R N 1.296 121.628 120.500 -0.280 0.000 2.823 1109 R HA 0.135 4.475 4.340 -0.000 0.000 0.250 1109 R C 0.052 175.854 176.300 -0.831 0.000 1.332 1109 R CA 0.166 55.983 56.100 -0.472 0.000 1.259 1109 R CB -0.508 29.479 30.300 -0.523 0.000 1.225 1109 R HN 0.671 nan 8.270 nan 0.000 0.545 1110 H N -2.086 116.952 119.070 -0.053 0.000 3.587 1110 H HA 0.022 4.578 4.556 -0.000 0.000 0.268 1110 H C 0.972 176.283 175.328 -0.030 0.000 1.128 1110 H CA 0.160 56.181 56.048 -0.045 0.000 1.120 1110 H CB 0.392 30.113 29.762 -0.068 0.000 2.239 1110 H HN 0.117 nan 8.280 nan 0.000 0.826 1111 T N -1.998 112.574 114.554 0.030 0.000 3.160 1111 T HA 0.103 4.453 4.350 -0.000 0.000 0.257 1111 T C 0.958 175.677 174.700 0.032 0.000 1.147 1111 T CA 0.090 62.199 62.100 0.015 0.000 1.064 1111 T CB 0.530 69.382 68.868 -0.027 0.000 0.949 1111 T HN 0.102 nan 8.240 nan 0.000 0.526 1112 M N 1.603 121.240 119.600 0.062 0.000 2.216 1112 M HA 0.488 4.968 4.480 -0.000 0.000 0.356 1112 M C -1.031 175.341 176.300 0.120 0.000 1.205 1112 M CA -0.694 54.665 55.300 0.098 0.000 1.122 1112 M CB 0.732 33.394 32.600 0.104 0.000 1.571 1112 M HN 0.095 nan 8.290 nan 0.000 0.464 1113 I N 3.322 123.958 120.570 0.110 0.000 2.392 1113 I HA 0.189 4.359 4.170 -0.000 0.000 0.295 1113 I C -0.126 176.089 176.117 0.163 0.000 0.985 1113 I CA -0.862 60.521 61.300 0.140 0.000 1.221 1113 I CB 1.304 39.329 38.000 0.041 0.000 1.366 1113 I HN 0.689 nan 8.210 nan 0.000 0.467 1114 H N 5.532 124.668 119.070 0.109 0.000 3.115 1114 H HA -0.080 4.476 4.556 -0.000 0.000 0.324 1114 H C 0.967 176.304 175.328 0.015 0.000 1.007 1114 H CA 0.693 56.762 56.048 0.035 0.000 1.385 1114 H CB 0.849 30.540 29.762 -0.119 0.000 1.351 1114 H HN 0.483 nan 8.280 nan 0.000 0.592 1115 E N 3.502 123.578 120.200 -0.206 0.000 2.268 1115 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 1115 E C 1.757 178.402 176.600 0.075 0.000 0.995 1115 E CA 0.749 57.125 56.400 -0.041 0.000 0.836 1115 E CB 0.048 29.715 29.700 -0.054 0.000 0.763 1115 E HN 0.695 nan 8.360 nan 0.000 0.491 1116 Q N 0.747 120.674 119.800 0.212 0.000 2.167 1116 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 1116 Q C 1.953 178.075 176.000 0.202 0.000 0.970 1116 Q CA 0.855 56.860 55.803 0.337 0.000 0.855 1116 Q CB -0.208 28.913 28.738 0.637 0.000 0.911 1116 Q HN 0.317 nan 8.270 nan 0.000 0.438 1117 I N -0.408 120.174 120.570 0.020 0.000 2.614 1117 I HA -0.203 3.967 4.170 -0.000 0.000 0.258 1117 I C 1.562 177.754 176.117 0.125 0.000 1.189 1117 I CA 1.136 62.353 61.300 -0.140 0.000 1.462 1117 I CB -0.215 37.607 38.000 -0.297 0.000 1.092 1117 I HN 0.164 nan 8.210 nan 0.000 0.442 1118 T N 0.165 114.817 114.554 0.164 0.000 2.857 1118 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 1118 T C 1.943 176.881 174.700 0.396 0.000 1.048 1118 T CA 0.922 63.171 62.100 0.249 0.000 1.139 1118 T CB -0.089 68.907 68.868 0.213 0.000 0.874 1118 T HN 0.147 nan 8.240 nan 0.000 0.455 1119 R N 1.125 121.813 120.500 0.312 0.000 2.120 1119 R HA 0.116 4.456 4.340 -0.000 0.000 0.234 1119 R C 2.100 178.560 176.300 0.266 0.000 1.123 1119 R CA 0.452 56.740 56.100 0.314 0.000 0.975 1119 R CB -1.164 29.261 30.300 0.208 0.000 0.866 1119 R HN 0.264 nan 8.270 nan 0.000 0.446 1120 L N -0.603 120.735 121.223 0.191 0.000 2.093 1120 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 1120 L C 1.665 178.574 176.870 0.065 0.000 1.085 1120 L CA 1.507 56.397 54.840 0.083 0.000 0.755 1120 L CB -0.487 41.581 42.059 0.015 0.000 0.904 1120 L HN 0.049 nan 8.230 nan 0.000 0.435 1121 F N -0.519 119.427 119.950 -0.007 0.000 2.171 1121 F HA -0.236 4.291 4.527 -0.000 0.000 0.300 1121 F C 2.547 178.149 175.800 -0.330 0.000 1.090 1121 F CA 1.750 59.632 58.000 -0.197 0.000 1.293 1121 F CB -0.326 38.474 39.000 -0.333 0.000 1.013 1121 F HN 0.278 nan 8.300 nan 0.000 0.486 1122 H N -1.210 118.025 119.070 0.275 0.000 2.524 1122 H HA 0.096 4.652 4.556 -0.000 0.000 0.282 1122 H C 2.241 177.690 175.328 0.201 0.000 1.016 1122 H CA 0.922 57.166 56.048 0.327 0.000 1.270 1122 H CB -0.342 29.598 29.762 0.296 0.000 1.394 1122 H HN 0.294 nan 8.280 nan 0.000 0.568 1123 A N 1.178 124.088 122.820 0.151 0.000 1.930 1123 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 1123 A C 0.821 178.367 177.584 -0.063 0.000 1.175 1123 A CA 0.220 52.255 52.037 -0.005 0.000 0.627 1123 A CB -0.711 18.199 19.000 -0.150 0.000 0.815 1123 A HN 0.108 nan 8.150 nan 0.000 0.443 1124 F N 0.843 120.771 119.950 -0.037 0.000 2.563 1124 F HA 0.184 4.711 4.527 -0.000 0.000 0.363 1124 F C 1.258 177.137 175.800 0.132 0.000 1.123 1124 F CA -0.149 57.828 58.000 -0.039 0.000 1.307 1124 F CB 0.548 39.418 39.000 -0.215 0.000 1.115 1124 F HN 0.140 nan 8.300 nan 0.000 0.592 1125 R N 2.614 123.326 120.500 0.353 0.000 2.679 1125 R HA 0.075 4.415 4.340 -0.000 0.000 0.268 1125 R C 1.262 177.811 176.300 0.415 0.000 1.044 1125 R CA -0.559 55.724 56.100 0.306 0.000 1.105 1125 R CB 0.464 30.889 30.300 0.208 0.000 0.989 1125 R HN 0.606 nan 8.270 nan 0.000 0.447 1126 R N 1.607 122.279 120.500 0.287 0.000 2.148 1126 R HA -0.116 4.224 4.340 -0.000 0.000 0.227 1126 R C 1.042 177.410 176.300 0.113 0.000 1.103 1126 R CA 1.418 57.600 56.100 0.138 0.000 0.983 1126 R CB -0.171 30.105 30.300 -0.040 0.000 0.874 1126 R HN 0.718 nan 8.270 nan 0.000 0.451 1127 D N -0.586 119.888 120.400 0.124 0.000 2.340 1127 D HA -0.006 4.634 4.640 -0.000 0.000 0.220 1127 D C 0.034 176.410 176.300 0.126 0.000 1.039 1127 D CA -0.060 53.996 54.000 0.094 0.000 0.866 1127 D CB -0.037 40.808 40.800 0.075 0.000 0.913 1127 D HN -0.254 nan 8.370 nan 0.000 0.523 1128 S N -0.056 115.752 115.700 0.180 0.000 2.566 1128 S HA -0.048 4.422 4.470 -0.000 0.000 0.280 1128 S C 0.040 174.740 174.600 0.167 0.000 1.343 1128 S CA -0.284 58.027 58.200 0.184 0.000 1.036 1128 S CB 0.170 63.481 63.200 0.186 0.000 0.866 1128 S HN 0.507 nan 8.310 nan 0.000 0.526 1129 H N 2.748 121.867 119.070 0.082 0.000 2.690 1129 H HA 0.194 4.750 4.556 -0.000 0.000 0.314 1129 H C -1.820 173.455 175.328 -0.088 0.000 1.069 1129 H CA -1.901 54.175 56.048 0.046 0.000 1.436 1129 H CB 0.778 30.645 29.762 0.175 0.000 1.462 1129 H HN 0.295 nan 8.280 nan 0.000 0.511 1130 P HA -0.313 nan 4.420 nan 0.000 0.217 1130 P C 1.511 178.762 177.300 -0.082 0.000 1.162 1130 P CA 1.513 64.631 63.100 0.029 0.000 0.901 1130 P CB 0.104 31.800 31.700 -0.006 0.000 0.793 1131 M N -0.743 118.782 119.600 -0.125 0.000 2.082 1131 M HA -0.184 4.296 4.480 -0.000 0.000 0.258 1131 M C 1.974 177.841 176.300 -0.722 0.000 1.069 1131 M CA 2.236 57.105 55.300 -0.718 0.000 1.102 1131 M CB -1.292 30.259 32.600 -1.749 0.000 1.336 1131 M HN -0.123 nan 8.290 nan 0.000 0.404 1132 A N -1.006 121.401 122.820 -0.688 0.000 1.865 1132 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 1132 A C 2.177 179.599 177.584 -0.270 0.000 1.191 1132 A CA 2.304 54.222 52.037 -0.198 0.000 0.623 1132 A CB -1.409 17.672 19.000 0.136 0.000 0.826 1132 A HN 0.388 nan 8.150 nan 0.000 0.444 1133 V N -0.369 119.304 119.914 -0.402 0.000 2.287 1133 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 1133 V C 2.611 178.313 176.094 -0.654 0.000 1.053 1133 V CA 2.584 64.380 62.300 -0.841 0.000 1.027 1133 V CB -0.808 30.601 31.823 -0.689 0.000 0.646 1133 V HN 0.720 nan 8.190 nan 0.000 0.447 1134 M N -0.025 119.348 119.600 -0.377 0.000 2.108 1134 M HA -0.241 4.239 4.480 -0.000 0.000 0.257 1134 M C 2.095 178.273 176.300 -0.204 0.000 1.071 1134 M CA 2.412 57.563 55.300 -0.248 0.000 1.093 1134 M CB -0.769 31.723 32.600 -0.181 0.000 1.345 1134 M HN 0.432 nan 8.290 nan 0.000 0.403 1135 C N -0.116 119.076 119.300 -0.179 0.000 2.489 1135 C HA 0.062 4.522 4.460 -0.000 0.000 0.279 1135 C C 2.776 177.726 174.990 -0.067 0.000 1.266 1135 C CA 0.622 59.596 59.018 -0.074 0.000 1.707 1135 C CB -2.106 25.637 27.740 0.006 0.000 2.059 1135 C HN 0.782 nan 8.230 nan 0.000 0.481 1136 G N 1.387 110.126 108.800 -0.102 0.000 2.556 1136 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 1136 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 1136 G C 1.310 176.222 174.900 0.020 0.000 1.156 1136 G CA 1.353 46.497 45.100 0.073 0.000 0.766 1136 G HN 0.395 nan 8.290 nan 0.000 0.583 1137 I N 0.918 121.366 120.570 -0.203 0.000 2.130 1137 I HA -0.088 4.081 4.170 -0.000 0.000 0.234 1137 I C 2.992 179.036 176.117 -0.122 0.000 1.067 1137 I CA 1.695 62.860 61.300 -0.225 0.000 1.339 1137 I CB -1.802 35.943 38.000 -0.425 0.000 1.073 1137 I HN 0.125 nan 8.210 nan 0.000 0.405 1138 T N 1.460 115.959 114.554 -0.091 0.000 2.624 1138 T HA -0.238 4.112 4.350 -0.000 0.000 0.266 1138 T C 1.918 176.626 174.700 0.014 0.000 1.050 1138 T CA 1.991 64.078 62.100 -0.021 0.000 1.163 1138 T CB -1.073 67.810 68.868 0.026 0.000 0.861 1138 T HN 0.586 nan 8.240 nan 0.000 0.443 1139 G N 0.812 109.627 108.800 0.025 0.000 2.462 1139 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.220 1139 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.220 1139 G C 1.541 176.484 174.900 0.072 0.000 1.121 1139 G CA 0.833 45.969 45.100 0.060 0.000 0.758 1139 G HN 0.671 nan 8.290 nan 0.000 0.559 1140 A N -0.086 122.762 122.820 0.046 0.000 2.238 1140 A HA 0.435 4.755 4.320 -0.000 0.000 0.208 1140 A C 2.173 179.813 177.584 0.094 0.000 1.177 1140 A CA 0.061 52.156 52.037 0.096 0.000 0.804 1140 A CB -0.139 18.922 19.000 0.101 0.000 0.823 1140 A HN 0.351 nan 8.150 nan 0.000 0.482 1141 L N -1.018 120.169 121.223 -0.061 0.000 2.093 1141 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 1141 L C 2.927 179.702 176.870 -0.159 0.000 1.085 1141 L CA 1.091 55.758 54.840 -0.288 0.000 0.755 1141 L CB -0.478 41.129 42.059 -0.753 0.000 0.904 1141 L HN 0.441 nan 8.230 nan 0.000 0.435 1142 A N 0.012 122.892 122.820 0.101 0.000 2.125 1142 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 1142 A C 2.339 180.047 177.584 0.206 0.000 1.156 1142 A CA 1.438 53.650 52.037 0.291 0.000 0.671 1142 A CB -0.436 18.753 19.000 0.315 0.000 0.794 1142 A HN 0.402 nan 8.150 nan 0.000 0.459 1143 A N -2.047 120.874 122.820 0.168 0.000 2.169 1143 A HA 0.406 4.726 4.320 -0.000 0.000 0.212 1143 A C 1.452 178.918 177.584 -0.196 0.000 1.153 1143 A CA 0.704 52.739 52.037 -0.003 0.000 0.756 1143 A CB -0.280 18.671 19.000 -0.083 0.000 0.813 1143 A HN 0.421 nan 8.150 nan 0.000 0.471 1144 F N -2.498 117.363 119.950 -0.149 0.000 2.515 1144 F HA 0.256 4.783 4.527 -0.000 0.000 0.267 1144 F C 0.299 175.982 175.800 -0.195 0.000 0.923 1144 F CA -0.360 57.462 58.000 -0.297 0.000 1.107 1144 F CB -0.678 37.927 39.000 -0.657 0.000 1.175 1144 F HN 0.054 nan 8.300 nan 0.000 0.742 1145 Y N 2.570 122.947 120.300 0.129 0.000 2.758 1145 Y HA 0.046 4.596 4.550 -0.000 0.000 0.351 1145 Y C 1.403 177.376 175.900 0.122 0.000 1.214 1145 Y CA -0.446 57.674 58.100 0.034 0.000 1.983 1145 Y CB -1.812 36.628 38.460 -0.034 0.000 2.062 1145 Y HN 0.293 nan 8.280 nan 0.000 0.416 1146 H N -2.218 116.968 119.070 0.193 0.000 2.547 1146 H HA 0.019 4.574 4.556 -0.000 0.000 0.266 1146 H C 0.937 176.369 175.328 0.173 0.000 0.988 1146 H CA 0.745 56.892 56.048 0.166 0.000 1.147 1146 H CB 0.098 29.903 29.762 0.071 0.000 1.365 1146 H HN 0.391 nan 8.280 nan 0.000 0.589 1147 D N 0.436 120.726 120.400 -0.184 0.000 2.301 1147 D HA -0.095 4.545 4.640 -0.000 0.000 0.206 1147 D C 1.427 177.757 176.300 0.051 0.000 0.979 1147 D CA 0.893 54.844 54.000 -0.080 0.000 0.874 1147 D CB -0.582 40.089 40.800 -0.216 0.000 0.968 1147 D HN 0.467 nan 8.370 nan 0.000 0.510 1148 S N -0.042 115.714 115.700 0.095 0.000 2.679 1148 S HA 0.224 4.694 4.470 -0.000 0.000 0.233 1148 S C 1.392 176.095 174.600 0.172 0.000 0.951 1148 S CA -0.483 57.787 58.200 0.117 0.000 0.973 1148 S CB -0.713 62.539 63.200 0.087 0.000 0.778 1148 S HN 0.202 nan 8.310 nan 0.000 0.477 1149 L N 0.232 121.592 121.223 0.228 0.000 2.607 1149 L HA 0.318 4.658 4.340 -0.000 0.000 0.228 1149 L C 0.580 177.568 176.870 0.196 0.000 1.123 1149 L CA -0.022 54.939 54.840 0.203 0.000 0.890 1149 L CB -0.267 41.934 42.059 0.237 0.000 1.103 1149 L HN 0.241 nan 8.230 nan 0.000 0.468 1150 D N 0.923 121.452 120.400 0.215 0.000 2.597 1150 D HA 0.032 4.672 4.640 -0.000 0.000 0.228 1150 D C 1.711 178.053 176.300 0.069 0.000 1.120 1150 D CA -0.099 53.953 54.000 0.086 0.000 1.083 1150 D CB 0.558 41.297 40.800 -0.101 0.000 1.116 1150 D HN 0.093 nan 8.370 nan 0.000 0.487 1151 V N 0.472 120.459 119.914 0.122 0.000 2.764 1151 V HA -0.270 3.850 4.120 -0.000 0.000 0.261 1151 V C 0.952 176.917 176.094 -0.215 0.000 1.108 1151 V CA 1.593 63.963 62.300 0.117 0.000 1.129 1151 V CB -0.690 31.262 31.823 0.216 0.000 0.701 1151 V HN 0.373 nan 8.190 nan 0.000 0.495 1152 N N 0.868 119.454 118.700 -0.189 0.000 2.275 1152 N HA 0.224 4.964 4.740 -0.000 0.000 0.236 1152 N C 0.037 175.446 175.510 -0.169 0.000 1.154 1152 N CA 0.043 52.948 53.050 -0.242 0.000 0.866 1152 N CB 0.068 38.424 38.487 -0.218 0.000 1.093 1152 N HN 0.773 nan 8.380 nan 0.000 0.515 1153 N N 0.429 119.041 118.700 -0.147 0.000 2.696 1153 N HA 0.233 4.973 4.740 -0.000 0.000 0.246 1153 N C -2.246 173.250 175.510 -0.023 0.000 1.057 1153 N CA -2.118 50.839 53.050 -0.154 0.000 0.867 1153 N CB 1.166 39.404 38.487 -0.415 0.000 1.141 1153 N HN -0.176 nan 8.380 nan 0.000 0.517 1154 P HA -0.220 nan 4.420 nan 0.000 0.222 1154 P C 0.982 178.353 177.300 0.120 0.000 1.139 1154 P CA 1.011 64.146 63.100 0.057 0.000 0.790 1154 P CB 0.071 31.789 31.700 0.029 0.000 0.757 1155 R N -1.135 119.460 120.500 0.159 0.000 2.119 1155 R HA -0.107 4.233 4.340 -0.000 0.000 0.222 1155 R C 1.344 177.845 176.300 0.335 0.000 1.088 1155 R CA 1.283 57.529 56.100 0.244 0.000 0.984 1155 R CB -0.316 30.159 30.300 0.291 0.000 0.884 1155 R HN 0.248 nan 8.270 nan 0.000 0.447 1156 H N -0.510 118.594 119.070 0.057 0.000 2.563 1156 H HA 0.229 4.785 4.556 -0.000 0.000 0.264 1156 H C 1.582 176.964 175.328 0.089 0.000 0.957 1156 H CA 0.346 56.432 56.048 0.064 0.000 1.173 1156 H CB 0.300 30.100 29.762 0.062 0.000 1.420 1156 H HN 0.150 nan 8.280 nan 0.000 0.551 1157 R N 0.363 121.011 120.500 0.248 0.000 2.075 1157 R HA -0.042 4.298 4.340 -0.000 0.000 0.226 1157 R C 1.854 178.271 176.300 0.195 0.000 1.114 1157 R CA 0.951 57.214 56.100 0.271 0.000 0.972 1157 R CB 0.125 30.611 30.300 0.310 0.000 0.869 1157 R HN 0.354 nan 8.270 nan 0.000 0.437 1158 E N 0.922 121.228 120.200 0.177 0.000 2.274 1158 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 1158 E C 1.826 178.566 176.600 0.233 0.000 0.996 1158 E CA 0.492 57.003 56.400 0.185 0.000 0.840 1158 E CB 0.120 29.959 29.700 0.231 0.000 0.772 1158 E HN 0.271 nan 8.360 nan 0.000 0.491 1159 I N 0.838 121.495 120.570 0.144 0.000 2.090 1159 I HA -0.282 3.888 4.170 -0.000 0.000 0.236 1159 I C 2.623 178.763 176.117 0.039 0.000 1.064 1159 I CA 1.176 62.514 61.300 0.063 0.000 1.324 1159 I CB -0.531 37.456 38.000 -0.022 0.000 1.044 1159 I HN 0.135 nan 8.210 nan 0.000 0.399 1160 A N 0.892 123.706 122.820 -0.012 0.000 1.873 1160 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 1160 A C 2.560 180.081 177.584 -0.105 0.000 1.193 1160 A CA 2.289 54.254 52.037 -0.120 0.000 0.629 1160 A CB -1.127 17.637 19.000 -0.393 0.000 0.826 1160 A HN 0.492 nan 8.150 nan 0.000 0.447 1161 A N -1.377 121.387 122.820 -0.093 0.000 1.927 1161 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 1161 A C 2.001 179.514 177.584 -0.119 0.000 1.185 1161 A CA 1.986 53.954 52.037 -0.116 0.000 0.639 1161 A CB -0.800 18.139 19.000 -0.103 0.000 0.820 1161 A HN 0.505 nan 8.150 nan 0.000 0.451 1162 F N -0.499 119.420 119.950 -0.051 0.000 2.163 1162 F HA -0.028 4.499 4.527 -0.000 0.000 0.297 1162 F C 2.574 178.328 175.800 -0.078 0.000 1.094 1162 F CA 1.418 59.373 58.000 -0.076 0.000 1.290 1162 F CB -0.295 38.636 39.000 -0.115 0.000 1.017 1162 F HN 0.111 nan 8.300 nan 0.000 0.483 1163 R N 0.102 120.654 120.500 0.085 0.000 2.080 1163 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 1163 R C 2.202 178.538 176.300 0.060 0.000 1.137 1163 R CA 1.648 57.746 56.100 -0.003 0.000 0.943 1163 R CB -0.997 29.259 30.300 -0.074 0.000 0.846 1163 R HN 0.300 nan 8.270 nan 0.000 0.431 1164 L N 0.538 121.823 121.223 0.104 0.000 2.187 1164 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 1164 L C 2.345 179.279 176.870 0.106 0.000 1.100 1164 L CA 0.583 55.500 54.840 0.128 0.000 0.765 1164 L CB -0.272 41.839 42.059 0.087 0.000 0.904 1164 L HN 0.176 nan 8.230 nan 0.000 0.437 1165 L N -1.389 119.886 121.223 0.086 0.000 2.131 1165 L HA -0.066 4.274 4.340 -0.000 0.000 0.206 1165 L C 2.464 179.432 176.870 0.163 0.000 1.087 1165 L CA 1.556 56.472 54.840 0.127 0.000 0.767 1165 L CB -0.234 41.854 42.059 0.048 0.000 0.917 1165 L HN 0.042 nan 8.230 nan 0.000 0.441 1166 S N -0.703 115.069 115.700 0.119 0.000 2.414 1166 S HA -0.053 4.417 4.470 -0.000 0.000 0.227 1166 S C 1.753 176.368 174.600 0.025 0.000 1.022 1166 S CA 0.905 59.153 58.200 0.081 0.000 0.958 1166 S CB -0.034 63.236 63.200 0.117 0.000 0.797 1166 S HN 0.452 nan 8.310 nan 0.000 0.493 1167 K N 0.513 120.934 120.400 0.035 0.000 2.284 1167 K HA 0.223 4.543 4.320 -0.000 0.000 0.198 1167 K C 1.789 178.397 176.600 0.012 0.000 1.048 1167 K CA 0.266 56.562 56.287 0.014 0.000 0.987 1167 K CB -0.113 32.393 32.500 0.010 0.000 0.800 1167 K HN 0.221 nan 8.250 nan 0.000 0.486 1168 M N 1.005 120.631 119.600 0.043 0.000 2.106 1168 M HA -0.106 4.374 4.480 -0.000 0.000 0.259 1168 M C -0.867 175.423 176.300 -0.016 0.000 1.068 1168 M CA 1.786 57.110 55.300 0.039 0.000 1.100 1168 M CB -1.956 30.695 32.600 0.085 0.000 1.351 1168 M HN -0.078 nan 8.290 nan 0.000 0.404 1169 P HA -0.081 nan 4.420 nan 0.000 0.215 1169 P C 1.528 178.834 177.300 0.009 0.000 1.157 1169 P CA 1.557 64.593 63.100 -0.108 0.000 0.863 1169 P CB -0.307 31.210 31.700 -0.304 0.000 0.787 1170 T N -0.731 113.797 114.554 -0.043 0.000 2.699 1170 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 1170 T C 1.824 176.460 174.700 -0.108 0.000 1.036 1170 T CA 1.558 63.615 62.100 -0.072 0.000 1.147 1170 T CB -0.804 68.020 68.868 -0.073 0.000 0.862 1170 T HN 0.090 nan 8.240 nan 0.000 0.446 1171 M N 0.765 120.335 119.600 -0.050 0.000 2.099 1171 M HA 0.008 4.488 4.480 -0.000 0.000 0.262 1171 M C 2.928 179.244 176.300 0.028 0.000 1.067 1171 M CA 1.535 56.833 55.300 -0.003 0.000 1.124 1171 M CB -0.508 32.122 32.600 0.050 0.000 1.353 1171 M HN 0.328 nan 8.290 nan 0.000 0.410 1172 A N 0.490 123.332 122.820 0.037 0.000 1.908 1172 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 1172 A C 2.305 179.960 177.584 0.119 0.000 1.181 1172 A CA 2.045 54.123 52.037 0.068 0.000 0.627 1172 A CB -0.978 18.045 19.000 0.038 0.000 0.818 1172 A HN 0.521 nan 8.150 nan 0.000 0.445 1173 A N -1.298 121.602 122.820 0.133 0.000 2.119 1173 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 1173 A C 2.092 179.677 177.584 0.002 0.000 1.153 1173 A CA 1.431 53.504 52.037 0.059 0.000 0.692 1173 A CB -0.456 18.516 19.000 -0.047 0.000 0.799 1173 A HN 0.535 nan 8.150 nan 0.000 0.458 1174 M N -1.698 117.799 119.600 -0.171 0.000 2.506 1174 M HA -0.053 4.427 4.480 -0.000 0.000 0.260 1174 M C 1.795 178.010 176.300 -0.141 0.000 1.104 1174 M CA 0.470 55.445 55.300 -0.542 0.000 1.112 1174 M CB -0.186 31.505 32.600 -1.515 0.000 1.401 1174 M HN 0.530 nan 8.290 nan 0.000 0.473 1175 C N -0.932 118.435 119.300 0.111 0.000 2.475 1175 C HA -0.108 4.352 4.460 -0.000 0.000 0.279 1175 C C 2.503 177.644 174.990 0.251 0.000 1.322 1175 C CA 0.388 59.560 59.018 0.256 0.000 1.734 1175 C CB -0.747 27.078 27.740 0.141 0.000 2.005 1175 C HN 0.570 nan 8.230 nan 0.000 0.495 1176 Y N 2.023 122.357 120.300 0.057 0.000 2.109 1176 Y HA -0.151 4.399 4.550 0.000 0.000 0.281 1176 Y C 2.496 178.420 175.900 0.040 0.000 1.113 1176 Y CA 1.474 59.578 58.100 0.006 0.000 1.098 1176 Y CB -0.252 38.156 38.460 -0.088 0.000 0.996 1176 Y HN -0.004 nan 8.280 nan 0.000 0.485 1177 K N 0.162 120.500 120.400 -0.103 0.000 2.071 1177 K HA -0.332 3.988 4.320 -0.000 0.000 0.217 1177 K C 1.947 178.436 176.600 -0.186 0.000 1.054 1177 K CA 2.328 58.491 56.287 -0.206 0.000 0.937 1177 K CB -1.477 31.061 32.500 0.064 0.000 0.719 1177 K HN 0.547 nan 8.250 nan 0.000 0.454 1178 Y N 2.109 122.418 120.300 0.016 0.000 2.114 1178 Y HA -0.296 4.254 4.550 -0.000 0.000 0.282 1178 Y C 2.628 178.493 175.900 -0.060 0.000 1.165 1178 Y CA 2.504 60.599 58.100 -0.009 0.000 1.148 1178 Y CB -0.377 38.261 38.460 0.297 0.000 0.972 1178 Y HN 0.271 nan 8.280 nan 0.000 0.504 1179 S N 0.047 115.760 115.700 0.022 0.000 2.474 1179 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 1179 S C 1.415 175.897 174.600 -0.196 0.000 0.997 1179 S CA 1.192 59.360 58.200 -0.053 0.000 0.949 1179 S CB -1.143 62.068 63.200 0.018 0.000 0.766 1179 S HN 0.659 nan 8.310 nan 0.000 0.517 1180 I N -3.668 116.714 120.570 -0.314 0.000 4.009 1180 I HA 0.612 4.782 4.170 -0.000 0.000 0.331 1180 I C 1.131 177.074 176.117 -0.291 0.000 1.462 1180 I CA -0.131 60.983 61.300 -0.310 0.000 1.117 1180 I CB -0.119 37.625 38.000 -0.425 0.000 1.091 1180 I HN 0.234 nan 8.210 nan 0.000 0.410 1181 G N 1.638 110.235 108.800 -0.339 0.000 2.179 1181 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.257 1181 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.257 1181 G C -0.065 174.666 174.900 -0.282 0.000 1.010 1181 G CA 0.294 45.207 45.100 -0.313 0.000 0.736 1181 G HN 0.654 nan 8.290 nan 0.000 0.513 1182 Q N 0.214 119.825 119.800 -0.315 0.000 2.257 1182 Q HA 0.497 4.837 4.340 -0.000 0.000 0.262 1182 Q C -2.255 173.539 176.000 -0.342 0.000 0.997 1182 Q CA -2.009 53.637 55.803 -0.261 0.000 0.873 1182 Q CB 2.201 30.813 28.738 -0.209 0.000 1.312 1182 Q HN 0.269 nan 8.270 nan 0.000 0.450 1183 P HA 0.037 nan 4.420 nan 0.000 0.271 1183 P C -0.893 176.245 177.300 -0.269 0.000 1.218 1183 P CA 0.007 62.919 63.100 -0.313 0.000 0.780 1183 P CB 0.409 32.014 31.700 -0.157 0.000 0.901 1184 F N 0.634 120.476 119.950 -0.180 0.000 2.471 1184 F HA 0.119 4.646 4.527 -0.000 0.000 0.353 1184 F C 0.982 176.589 175.800 -0.321 0.000 1.113 1184 F CA -0.192 57.642 58.000 -0.277 0.000 1.262 1184 F CB 0.022 38.804 39.000 -0.363 0.000 1.146 1184 F HN 0.003 nan 8.300 nan 0.000 0.578 1185 V N 3.206 123.060 119.914 -0.100 0.000 2.630 1185 V HA 0.302 4.422 4.120 -0.000 0.000 0.305 1185 V C -0.477 175.473 176.094 -0.241 0.000 1.046 1185 V CA -1.082 61.131 62.300 -0.144 0.000 0.934 1185 V CB 1.354 33.130 31.823 -0.078 0.000 1.003 1185 V HN 0.464 nan 8.190 nan 0.000 0.451 1186 Y N 3.156 123.454 120.300 -0.004 0.000 2.316 1186 Y HA 0.403 4.953 4.550 -0.000 0.000 0.324 1186 Y C -1.699 174.187 175.900 -0.025 0.000 1.267 1186 Y CA -1.879 56.212 58.100 -0.015 0.000 1.311 1186 Y CB 0.342 38.798 38.460 -0.007 0.000 1.267 1186 Y HN 0.464 nan 8.280 nan 0.000 0.516 1187 P HA 0.141 nan 4.420 nan 0.000 0.272 1187 P C -0.845 176.494 177.300 0.066 0.000 1.254 1187 P CA -0.089 63.049 63.100 0.062 0.000 0.795 1187 P CB 0.561 32.284 31.700 0.039 0.000 1.022 1188 R N 1.619 122.140 120.500 0.036 0.000 2.575 1188 R HA 0.202 4.542 4.340 -0.000 0.000 0.292 1188 R C 0.178 176.492 176.300 0.024 0.000 1.246 1188 R CA -0.491 55.631 56.100 0.036 0.000 0.973 1188 R CB 0.717 31.045 30.300 0.047 0.000 1.187 1188 R HN 0.367 nan 8.270 nan 0.000 0.478 1189 N N 1.265 119.972 118.700 0.010 0.000 2.166 1189 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 1189 N C 0.743 176.264 175.510 0.020 0.000 1.019 1189 N CA 1.377 54.428 53.050 0.002 0.000 0.856 1189 N CB 0.112 38.589 38.487 -0.018 0.000 0.993 1189 N HN 0.594 nan 8.380 nan 0.000 0.426 1190 D N 0.550 120.965 120.400 0.024 0.000 2.490 1190 D HA -0.041 4.599 4.640 -0.000 0.000 0.255 1190 D C -0.146 176.184 176.300 0.051 0.000 1.248 1190 D CA 0.231 54.252 54.000 0.034 0.000 0.887 1190 D CB -0.350 40.468 40.800 0.030 0.000 0.978 1190 D HN 0.239 nan 8.370 nan 0.000 0.491 1191 L N 0.143 121.402 121.223 0.060 0.000 2.424 1191 L HA 0.224 4.564 4.340 -0.000 0.000 0.258 1191 L C 0.264 177.198 176.870 0.107 0.000 0.995 1191 L CA -1.060 53.829 54.840 0.082 0.000 0.821 1191 L CB 2.248 44.355 42.059 0.080 0.000 1.383 1191 L HN -0.029 nan 8.230 nan 0.000 0.410 1192 S N -0.276 115.506 115.700 0.137 0.000 2.603 1192 S HA 0.091 4.561 4.470 -0.000 0.000 0.268 1192 S C 0.939 175.685 174.600 0.243 0.000 1.317 1192 S CA -0.224 58.090 58.200 0.190 0.000 1.012 1192 S CB 0.615 63.928 63.200 0.187 0.000 0.926 1192 S HN 0.657 nan 8.310 nan 0.000 0.539 1193 Y N 1.926 122.319 120.300 0.156 0.000 2.102 1193 Y HA -0.265 4.285 4.550 0.000 0.000 0.280 1193 Y C 2.473 178.479 175.900 0.177 0.000 1.178 1193 Y CA 2.174 60.377 58.100 0.172 0.000 1.146 1193 Y CB -0.755 37.846 38.460 0.235 0.000 0.968 1193 Y HN 0.849 nan 8.280 nan 0.000 0.504 1194 A N -0.401 122.709 122.820 0.483 0.000 1.930 1194 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 1194 A C 2.362 180.118 177.584 0.287 0.000 1.176 1194 A CA 1.206 53.478 52.037 0.392 0.000 0.632 1194 A CB -1.454 17.706 19.000 0.267 0.000 0.819 1194 A HN 0.583 nan 8.150 nan 0.000 0.445 1195 G N 0.221 109.152 108.800 0.219 0.000 2.408 1195 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 1195 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 1195 G C 1.475 176.456 174.900 0.135 0.000 1.150 1195 G CA 1.296 46.497 45.100 0.168 0.000 0.776 1195 G HN 0.599 nan 8.290 nan 0.000 0.542 1196 N N 0.022 118.797 118.700 0.124 0.000 2.142 1196 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 1196 N C 1.819 177.346 175.510 0.028 0.000 1.023 1196 N CA 1.022 54.110 53.050 0.063 0.000 0.852 1196 N CB -0.408 38.100 38.487 0.036 0.000 0.998 1196 N HN 0.228 nan 8.380 nan 0.000 0.424 1197 F N 0.821 120.734 119.950 -0.063 0.000 2.216 1197 F HA 0.043 4.570 4.527 -0.000 0.000 0.300 1197 F C 1.760 177.489 175.800 -0.119 0.000 1.085 1197 F CA 0.987 58.922 58.000 -0.108 0.000 1.326 1197 F CB -0.301 38.651 39.000 -0.081 0.000 1.027 1197 F HN 0.074 nan 8.300 nan 0.000 0.497 1198 L N 0.038 121.096 121.223 -0.275 0.000 2.027 1198 L HA -0.228 4.112 4.340 -0.000 0.000 0.206 1198 L C 2.324 178.991 176.870 -0.338 0.000 1.074 1198 L CA 1.696 56.343 54.840 -0.322 0.000 0.745 1198 L CB -0.839 41.258 42.059 0.063 0.000 0.898 1198 L HN 0.205 nan 8.230 nan 0.000 0.433 1199 N N 0.323 118.926 118.700 -0.162 0.000 2.025 1199 N HA -0.225 4.515 4.740 -0.000 0.000 0.194 1199 N C 1.905 177.231 175.510 -0.305 0.000 1.044 1199 N CA 1.761 54.696 53.050 -0.193 0.000 0.851 1199 N CB -0.128 38.360 38.487 0.002 0.000 1.036 1199 N HN 0.139 nan 8.380 nan 0.000 0.422 1200 M N -0.724 118.724 119.600 -0.253 0.000 2.267 1200 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 1200 M C 1.692 177.802 176.300 -0.317 0.000 1.063 1200 M CA 1.015 56.176 55.300 -0.232 0.000 1.090 1200 M CB -0.152 32.349 32.600 -0.166 0.000 1.392 1200 M HN 0.291 nan 8.290 nan 0.000 0.422 1201 M N -1.466 117.791 119.600 -0.571 0.000 2.193 1201 M HA -0.011 4.469 4.480 -0.000 0.000 0.265 1201 M C 1.549 177.541 176.300 -0.513 0.000 1.071 1201 M CA 1.741 56.629 55.300 -0.688 0.000 1.140 1201 M CB -0.416 31.344 32.600 -1.400 0.000 1.369 1201 M HN 0.276 nan 8.290 nan 0.000 0.423 1202 F N -0.359 119.355 119.950 -0.393 0.000 2.727 1202 F HA 0.099 4.626 4.527 -0.000 0.000 0.302 1202 F C 1.450 176.913 175.800 -0.562 0.000 1.107 1202 F CA -0.683 57.046 58.000 -0.452 0.000 1.277 1202 F CB 0.263 38.917 39.000 -0.576 0.000 1.079 1202 F HN -0.010 nan 8.300 nan 0.000 0.594 1203 S N 0.318 115.742 115.700 -0.461 0.000 2.579 1203 S HA 0.349 4.819 4.470 -0.000 0.000 0.275 1203 S C -0.070 174.504 174.600 -0.044 0.000 1.345 1203 S CA -0.208 57.866 58.200 -0.210 0.000 1.031 1203 S CB 1.368 64.507 63.200 -0.102 0.000 0.892 1203 S HN 0.022 nan 8.310 nan 0.000 0.529 1204 T N 2.960 117.534 114.554 0.033 0.000 2.900 1204 T HA 0.505 4.855 4.350 -0.000 0.000 0.295 1204 T C -2.099 172.622 174.700 0.035 0.000 1.044 1204 T CA -1.338 60.775 62.100 0.022 0.000 0.995 1204 T CB 1.821 70.706 68.868 0.028 0.000 1.072 1204 T HN 0.347 nan 8.240 nan 0.000 0.473 1205 P HA -0.032 nan 4.420 nan 0.000 0.219 1205 P C 1.206 178.522 177.300 0.027 0.000 1.146 1205 P CA 0.762 63.879 63.100 0.027 0.000 0.808 1205 P CB -0.097 31.613 31.700 0.016 0.000 0.779 1206 C N -0.214 119.099 119.300 0.022 0.000 2.403 1206 C HA -0.095 4.365 4.460 -0.000 0.000 0.282 1206 C C 1.248 176.255 174.990 0.029 0.000 1.297 1206 C CA 0.699 59.730 59.018 0.020 0.000 1.785 1206 C CB -1.835 25.915 27.740 0.017 0.000 1.963 1206 C HN 0.408 nan 8.230 nan 0.000 0.507 1207 E N -0.540 119.687 120.200 0.045 0.000 2.403 1207 E HA 0.284 4.634 4.350 -0.000 0.000 0.280 1207 E C -3.180 173.466 176.600 0.077 0.000 1.101 1207 E CA -1.231 55.198 56.400 0.049 0.000 0.856 1207 E CB 0.604 30.328 29.700 0.040 0.000 1.303 1207 E HN -0.053 nan 8.360 nan 0.000 0.441 1208 P HA 0.070 nan 4.420 nan 0.000 0.271 1208 P C -1.272 176.107 177.300 0.132 0.000 1.218 1208 P CA -0.047 63.108 63.100 0.090 0.000 0.780 1208 P CB 0.363 32.096 31.700 0.054 0.000 0.901 1209 Y N 1.005 121.320 120.300 0.025 0.000 2.323 1209 Y HA 0.303 4.853 4.550 -0.000 0.000 0.331 1209 Y C 0.400 176.316 175.900 0.026 0.000 1.092 1209 Y CA -0.629 57.489 58.100 0.030 0.000 1.150 1209 Y CB 1.431 39.919 38.460 0.047 0.000 1.200 1209 Y HN 0.288 nan 8.280 nan 0.000 0.472 1210 E N 4.115 124.028 120.200 -0.478 0.000 2.113 1210 E HA 0.318 4.668 4.350 -0.000 0.000 0.273 1210 E C -1.533 174.855 176.600 -0.353 0.000 0.924 1210 E CA -0.553 55.669 56.400 -0.297 0.000 0.764 1210 E CB 0.952 30.513 29.700 -0.233 0.000 1.104 1210 E HN 0.465 nan 8.360 nan 0.000 0.406 1211 V N 6.011 125.875 119.914 -0.085 0.000 2.370 1211 V HA 0.095 4.215 4.120 -0.000 0.000 0.257 1211 V C 0.701 176.791 176.094 -0.005 0.000 1.064 1211 V CA -0.726 61.588 62.300 0.023 0.000 0.975 1211 V CB 0.106 32.002 31.823 0.122 0.000 1.067 1211 V HN 0.644 nan 8.190 nan 0.000 0.485 1212 N N 7.101 125.785 118.700 -0.027 0.000 2.412 1212 N HA 0.027 4.767 4.740 -0.000 0.000 0.258 1212 N C -1.538 173.980 175.510 0.014 0.000 1.236 1212 N CA -1.058 51.979 53.050 -0.021 0.000 0.882 1212 N CB 1.779 40.251 38.487 -0.025 0.000 1.066 1212 N HN 0.238 nan 8.380 nan 0.000 0.465 1213 P HA -0.077 nan 4.420 nan 0.000 0.215 1213 P C 1.372 178.683 177.300 0.018 0.000 1.153 1213 P CA 1.254 64.363 63.100 0.015 0.000 0.853 1213 P CB 0.275 31.977 31.700 0.004 0.000 0.788 1214 I N -1.669 118.904 120.570 0.005 0.000 2.353 1214 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 1214 I C 2.205 178.334 176.117 0.020 0.000 1.119 1214 I CA 1.069 62.370 61.300 0.002 0.000 1.417 1214 I CB -0.541 37.446 38.000 -0.021 0.000 1.078 1214 I HN -0.085 nan 8.210 nan 0.000 0.421 1215 L N 0.452 121.694 121.223 0.032 0.000 2.056 1215 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 1215 L C 2.579 179.501 176.870 0.086 0.000 1.078 1215 L CA 1.422 56.298 54.840 0.061 0.000 0.749 1215 L CB -0.658 41.447 42.059 0.076 0.000 0.901 1215 L HN 0.318 nan 8.230 nan 0.000 0.433 1216 E N 0.760 121.013 120.200 0.088 0.000 2.058 1216 E HA -0.297 4.053 4.350 -0.000 0.000 0.194 1216 E C 2.374 179.031 176.600 0.095 0.000 0.997 1216 E CA 1.514 57.978 56.400 0.107 0.000 0.801 1216 E CB 0.027 29.785 29.700 0.097 0.000 0.746 1216 E HN 0.273 nan 8.360 nan 0.000 0.450 1217 R N -0.050 120.490 120.500 0.067 0.000 2.075 1217 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 1217 R C 2.257 178.586 176.300 0.049 0.000 1.126 1217 R CA 1.227 57.359 56.100 0.053 0.000 0.963 1217 R CB -0.316 30.003 30.300 0.032 0.000 0.858 1217 R HN 0.208 nan 8.270 nan 0.000 0.435 1218 A N 1.026 123.873 122.820 0.046 0.000 1.940 1218 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 1218 A C 2.075 179.694 177.584 0.058 0.000 1.176 1218 A CA 1.654 53.716 52.037 0.042 0.000 0.631 1218 A CB -0.504 18.518 19.000 0.036 0.000 0.814 1218 A HN 0.483 nan 8.150 nan 0.000 0.446 1219 M N 0.280 119.930 119.600 0.084 0.000 2.064 1219 M HA -0.119 4.360 4.480 -0.000 0.000 0.260 1219 M C 1.765 178.103 176.300 0.064 0.000 1.073 1219 M CA 2.414 57.776 55.300 0.105 0.000 1.124 1219 M CB -0.707 31.996 32.600 0.171 0.000 1.326 1219 M HN 0.495 nan 8.290 nan 0.000 0.410 1220 D N -0.193 120.249 120.400 0.070 0.000 2.157 1220 D HA -0.258 4.382 4.640 -0.000 0.000 0.191 1220 D C 2.006 178.310 176.300 0.007 0.000 1.004 1220 D CA 1.699 55.721 54.000 0.036 0.000 0.854 1220 D CB -0.127 40.719 40.800 0.076 0.000 0.936 1220 D HN 0.450 nan 8.370 nan 0.000 0.446 1221 R N -0.117 120.397 120.500 0.024 0.000 2.105 1221 R HA -0.114 4.226 4.340 -0.000 0.000 0.239 1221 R C 2.688 178.994 176.300 0.010 0.000 1.135 1221 R CA 1.001 57.109 56.100 0.014 0.000 0.967 1221 R CB -0.230 30.077 30.300 0.012 0.000 0.861 1221 R HN 0.375 nan 8.270 nan 0.000 0.442 1222 I N 0.411 121.002 120.570 0.034 0.000 2.252 1222 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 1222 I C 1.931 178.104 176.117 0.094 0.000 1.102 1222 I CA 0.881 62.242 61.300 0.101 0.000 1.385 1222 I CB -0.235 37.842 38.000 0.127 0.000 1.064 1222 I HN 0.085 nan 8.210 nan 0.000 0.414 1223 L N 0.651 121.821 121.223 -0.089 0.000 1.989 1223 L HA -0.224 4.115 4.340 -0.000 0.000 0.211 1223 L C 2.416 179.176 176.870 -0.183 0.000 1.071 1223 L CA 1.957 56.581 54.840 -0.361 0.000 0.749 1223 L CB -0.784 40.810 42.059 -0.775 0.000 0.890 1223 L HN 0.161 nan 8.230 nan 0.000 0.431 1224 I N -1.079 119.473 120.570 -0.029 0.000 2.208 1224 I HA -0.341 3.829 4.170 -0.000 0.000 0.245 1224 I C 2.255 178.388 176.117 0.027 0.000 1.097 1224 I CA 1.273 62.623 61.300 0.083 0.000 1.363 1224 I CB -0.353 37.685 38.000 0.062 0.000 1.051 1224 I HN 0.214 nan 8.210 nan 0.000 0.413 1225 L N -0.456 120.740 121.223 -0.045 0.000 2.456 1225 L HA -0.178 4.162 4.340 -0.000 0.000 0.224 1225 L C 1.692 178.326 176.870 -0.394 0.000 1.148 1225 L CA 1.092 55.819 54.840 -0.189 0.000 0.825 1225 L CB -0.536 41.372 42.059 -0.251 0.000 0.937 1225 L HN 0.348 nan 8.230 nan 0.000 0.450 1226 H N -2.199 116.797 119.070 -0.125 0.000 2.986 1226 H HA 0.264 4.820 4.556 -0.000 0.000 0.267 1226 H C 2.088 177.345 175.328 -0.118 0.000 1.072 1226 H CA 0.424 56.375 56.048 -0.162 0.000 1.202 1226 H CB 0.326 29.962 29.762 -0.211 0.000 1.535 1226 H HN 0.158 nan 8.280 nan 0.000 0.522 1227 A N 0.451 123.286 122.820 0.024 0.000 1.985 1227 A HA -0.206 4.114 4.320 -0.000 0.000 0.223 1227 A C 0.643 178.164 177.584 -0.104 0.000 1.189 1227 A CA 2.310 54.350 52.037 0.006 0.000 0.658 1227 A CB -0.134 18.866 19.000 0.000 0.000 0.820 1227 A HN 0.468 nan 8.150 nan 0.000 0.464 1228 D N -5.228 115.136 120.400 -0.060 0.000 2.685 1228 D HA 0.313 4.953 4.640 -0.000 0.000 0.236 1228 D C -0.960 175.530 176.300 0.316 0.000 1.233 1228 D CA -0.516 53.524 54.000 0.067 0.000 0.760 1228 D CB 0.392 41.191 40.800 -0.002 0.000 1.410 1228 D HN 0.215 nan 8.370 nan 0.000 0.439 1229 H N 2.403 121.584 119.070 0.183 0.000 2.924 1229 H HA 0.215 4.771 4.556 -0.000 0.000 0.229 1229 H C 0.106 175.508 175.328 0.123 0.000 1.345 1229 H CA -0.209 55.937 56.048 0.163 0.000 1.044 1229 H CB 0.335 30.175 29.762 0.130 0.000 2.221 1229 H HN 0.591 nan 8.280 nan 0.000 0.574 1230 E N 0.359 120.720 120.200 0.269 0.000 4.788 1230 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 1230 E C -0.289 176.302 176.600 -0.015 0.000 1.477 1230 E CA 0.596 57.091 56.400 0.159 0.000 2.443 1230 E CB -0.053 29.647 29.700 -0.000 0.000 2.075 1230 E HN 0.476 nan 8.360 nan 0.000 0.466 1231 Q N 1.484 121.243 119.800 -0.068 0.000 2.383 1231 Q HA -0.012 4.328 4.340 -0.000 0.000 0.210 1231 Q C 0.382 176.331 176.000 -0.087 0.000 0.891 1231 Q CA 0.643 56.373 55.803 -0.122 0.000 0.985 1231 Q CB -1.432 27.259 28.738 -0.079 0.000 1.409 1231 Q HN 0.303 nan 8.270 nan 0.000 0.391 1232 N N -1.004 117.667 118.700 -0.048 0.000 2.294 1232 N HA 0.093 4.833 4.740 -0.000 0.000 0.275 1232 N C 0.933 176.453 175.510 0.016 0.000 1.291 1232 N CA 0.258 53.306 53.050 -0.003 0.000 0.933 1232 N CB 0.423 38.951 38.487 0.068 0.000 1.096 1232 N HN 0.060 nan 8.380 nan 0.000 0.525 1233 A N 0.021 122.869 122.820 0.047 0.000 1.930 1233 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 1233 A C 2.435 180.044 177.584 0.040 0.000 1.175 1233 A CA 1.428 53.489 52.037 0.040 0.000 0.627 1233 A CB -0.835 18.196 19.000 0.051 0.000 0.815 1233 A HN 0.680 nan 8.150 nan 0.000 0.443 1234 S N -0.536 115.223 115.700 0.098 0.000 2.368 1234 S HA -0.104 4.366 4.470 -0.000 0.000 0.224 1234 S C 1.993 176.595 174.600 0.004 0.000 1.029 1234 S CA 1.735 59.988 58.200 0.087 0.000 0.988 1234 S CB -0.421 62.964 63.200 0.308 0.000 0.838 1234 S HN 0.666 nan 8.310 nan 0.000 0.462 1235 T N 1.090 115.702 114.554 0.097 0.000 2.915 1235 T HA -0.017 4.333 4.350 -0.000 0.000 0.269 1235 T C 1.992 176.648 174.700 -0.074 0.000 1.071 1235 T CA 1.144 63.252 62.100 0.013 0.000 1.132 1235 T CB -0.247 68.547 68.868 -0.124 0.000 0.878 1235 T HN 0.383 nan 8.240 nan 0.000 0.479 1236 S N 0.399 116.062 115.700 -0.061 0.000 2.428 1236 S HA -0.087 4.383 4.470 -0.000 0.000 0.230 1236 S C 2.075 176.636 174.600 -0.065 0.000 1.014 1236 S CA 1.300 59.457 58.200 -0.071 0.000 0.957 1236 S CB -0.401 62.764 63.200 -0.057 0.000 0.784 1236 S HN 0.503 nan 8.310 nan 0.000 0.499 1237 T N 0.980 115.492 114.554 -0.070 0.000 2.937 1237 T HA 0.080 4.430 4.350 -0.000 0.000 0.260 1237 T C 1.776 176.418 174.700 -0.096 0.000 1.051 1237 T CA 1.056 63.110 62.100 -0.077 0.000 1.141 1237 T CB -0.221 68.591 68.868 -0.093 0.000 0.879 1237 T HN 0.236 nan 8.240 nan 0.000 0.459 1238 V N 1.412 121.238 119.914 -0.146 0.000 2.548 1238 V HA -0.076 4.044 4.120 -0.000 0.000 0.249 1238 V C 2.579 178.693 176.094 0.033 0.000 1.055 1238 V CA 1.480 63.706 62.300 -0.124 0.000 1.065 1238 V CB -0.478 31.205 31.823 -0.233 0.000 0.681 1238 V HN 0.344 nan 8.190 nan 0.000 0.462 1239 R N -0.693 119.808 120.500 0.001 0.000 2.075 1239 R HA -0.074 4.266 4.340 -0.000 0.000 0.226 1239 R C 2.427 178.710 176.300 -0.028 0.000 1.114 1239 R CA 1.716 57.815 56.100 -0.002 0.000 0.972 1239 R CB -0.518 29.760 30.300 -0.037 0.000 0.869 1239 R HN 0.404 nan 8.270 nan 0.000 0.437 1240 T N 0.708 115.239 114.554 -0.037 0.000 2.857 1240 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 1240 T C 1.795 176.494 174.700 -0.002 0.000 1.048 1240 T CA 1.203 63.282 62.100 -0.034 0.000 1.139 1240 T CB -0.049 68.793 68.868 -0.044 0.000 0.874 1240 T HN 0.334 nan 8.240 nan 0.000 0.455 1241 A N 1.252 124.079 122.820 0.011 0.000 1.873 1241 A HA 0.176 4.496 4.320 -0.000 0.000 0.215 1241 A C 2.571 180.211 177.584 0.092 0.000 1.186 1241 A CA 1.671 53.730 52.037 0.037 0.000 0.616 1241 A CB -1.207 17.801 19.000 0.014 0.000 0.823 1241 A HN 0.495 nan 8.150 nan 0.000 0.442 1242 G N -0.208 108.678 108.800 0.143 0.000 2.509 1242 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.218 1242 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.218 1242 G C 1.819 176.740 174.900 0.035 0.000 1.124 1242 G CA 1.511 46.745 45.100 0.223 0.000 0.776 1242 G HN 0.822 nan 8.290 nan 0.000 0.547 1243 S N 1.122 116.816 115.700 -0.010 0.000 2.423 1243 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 1243 S C 2.285 176.908 174.600 0.038 0.000 1.014 1243 S CA 1.567 59.759 58.200 -0.013 0.000 0.965 1243 S CB -0.414 62.767 63.200 -0.031 0.000 0.785 1243 S HN 0.493 nan 8.310 nan 0.000 0.495 1244 S N -0.228 115.505 115.700 0.055 0.000 2.593 1244 S HA 0.486 4.956 4.470 -0.000 0.000 0.217 1244 S C 1.563 176.211 174.600 0.079 0.000 0.966 1244 S CA 0.484 58.717 58.200 0.056 0.000 0.914 1244 S CB -0.372 62.858 63.200 0.050 0.000 0.776 1244 S HN 1.432 nan 8.310 nan 0.000 0.523 1245 G N 0.816 109.691 108.800 0.126 0.000 2.232 1245 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.226 1245 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.226 1245 G C 0.378 175.397 174.900 0.199 0.000 0.996 1245 G CA -0.214 44.973 45.100 0.145 0.000 0.626 1245 G HN 1.401 nan 8.290 nan 0.000 0.509 1246 A N 0.688 123.621 122.820 0.188 0.000 2.616 1246 A HA 0.396 4.716 4.320 -0.000 0.000 0.234 1246 A C 0.831 178.568 177.584 0.255 0.000 1.024 1246 A CA 1.154 53.301 52.037 0.184 0.000 0.758 1246 A CB -0.342 18.745 19.000 0.144 0.000 0.939 1246 A HN 2.044 nan 8.150 nan 0.000 0.510 1247 N N 2.793 121.604 118.700 0.184 0.000 2.374 1247 N HA 0.202 4.942 4.740 -0.000 0.000 0.241 1247 N C -2.038 173.452 175.510 -0.033 0.000 1.262 1247 N CA -0.480 52.658 53.050 0.148 0.000 0.880 1247 N CB 0.102 38.683 38.487 0.156 0.000 1.105 1247 N HN 0.264 nan 8.380 nan 0.000 0.438 1248 P HA -0.241 nan 4.420 nan 0.000 0.216 1248 P C 0.791 177.692 177.300 -0.665 0.000 1.167 1248 P CA 1.839 64.387 63.100 -0.919 0.000 0.933 1248 P CB -0.158 30.844 31.700 -1.163 0.000 0.793 1249 F N -0.556 119.297 119.950 -0.162 0.000 2.120 1249 F HA -0.231 4.296 4.527 -0.000 0.000 0.300 1249 F C 2.488 178.236 175.800 -0.086 0.000 1.095 1249 F CA 1.077 59.020 58.000 -0.095 0.000 1.249 1249 F CB -1.553 37.443 39.000 -0.006 0.000 0.995 1249 F HN -0.086 nan 8.300 nan 0.000 0.480 1250 A N -0.361 122.520 122.820 0.101 0.000 1.917 1250 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 1250 A C 2.276 179.842 177.584 -0.029 0.000 1.182 1250 A CA 2.002 54.074 52.037 0.057 0.000 0.633 1250 A CB -1.537 17.508 19.000 0.075 0.000 0.819 1250 A HN 0.532 nan 8.150 nan 0.000 0.448 1251 C N -0.528 118.711 119.300 -0.102 0.000 2.462 1251 C HA -0.072 4.388 4.460 -0.000 0.000 0.278 1251 C C 2.549 177.381 174.990 -0.264 0.000 1.253 1251 C CA 0.778 59.699 59.018 -0.162 0.000 1.713 1251 C CB -1.135 26.484 27.740 -0.201 0.000 2.049 1251 C HN 0.594 nan 8.230 nan 0.000 0.477 1252 I N 1.957 122.369 120.570 -0.265 0.000 2.194 1252 I HA -0.219 3.951 4.170 -0.000 0.000 0.246 1252 I C 2.777 178.734 176.117 -0.267 0.000 1.093 1252 I CA 2.074 63.210 61.300 -0.274 0.000 1.355 1252 I CB -1.800 36.177 38.000 -0.038 0.000 1.046 1252 I HN 0.296 nan 8.210 nan 0.000 0.413 1253 A N 0.948 123.700 122.820 -0.114 0.000 1.908 1253 A HA -0.171 4.148 4.320 -0.000 0.000 0.218 1253 A C 2.611 180.121 177.584 -0.122 0.000 1.181 1253 A CA 2.293 54.289 52.037 -0.069 0.000 0.627 1253 A CB -0.846 18.152 19.000 -0.004 0.000 0.818 1253 A HN 0.434 nan 8.150 nan 0.000 0.445 1254 A N -0.522 122.205 122.820 -0.154 0.000 1.883 1254 A HA 0.084 4.404 4.320 -0.000 0.000 0.217 1254 A C 2.455 179.881 177.584 -0.262 0.000 1.186 1254 A CA 2.010 53.956 52.037 -0.151 0.000 0.624 1254 A CB -1.514 17.407 19.000 -0.131 0.000 0.822 1254 A HN 0.867 nan 8.150 nan 0.000 0.444 1255 G N -0.490 107.977 108.800 -0.555 0.000 2.479 1255 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.220 1255 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.220 1255 G C 1.438 175.968 174.900 -0.617 0.000 1.115 1255 G CA 1.108 45.657 45.100 -0.919 0.000 0.757 1255 G HN 0.510 nan 8.290 nan 0.000 0.560 1256 I N 0.659 121.004 120.570 -0.376 0.000 2.339 1256 I HA 0.008 4.178 4.170 -0.000 0.000 0.245 1256 I C 3.205 179.385 176.117 0.106 0.000 1.096 1256 I CA 0.739 62.058 61.300 0.031 0.000 1.408 1256 I CB -0.175 37.854 38.000 0.049 0.000 1.092 1256 I HN 0.206 nan 8.210 nan 0.000 0.423 1257 A N 0.113 122.978 122.820 0.075 0.000 1.902 1257 A HA -0.237 4.082 4.320 -0.000 0.000 0.217 1257 A C 2.493 180.188 177.584 0.184 0.000 1.181 1257 A CA 2.253 54.408 52.037 0.196 0.000 0.623 1257 A CB -0.830 18.250 19.000 0.134 0.000 0.818 1257 A HN 0.402 nan 8.150 nan 0.000 0.443 1258 S N -0.657 115.091 115.700 0.079 0.000 2.356 1258 S HA -0.165 4.305 4.470 -0.000 0.000 0.223 1258 S C 1.970 176.647 174.600 0.128 0.000 1.032 1258 S CA 1.565 59.805 58.200 0.067 0.000 1.005 1258 S CB -0.514 62.690 63.200 0.007 0.000 0.867 1258 S HN 0.483 nan 8.310 nan 0.000 0.449 1259 L N 0.776 122.113 121.223 0.189 0.000 2.043 1259 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 1259 L C 2.106 179.137 176.870 0.268 0.000 1.075 1259 L CA 2.224 57.226 54.840 0.271 0.000 0.752 1259 L CB -0.889 41.407 42.059 0.394 0.000 0.891 1259 L HN 0.626 nan 8.230 nan 0.000 0.432 1260 W N 0.741 122.050 121.300 0.014 0.000 2.358 1260 W HA -0.017 4.643 4.660 -0.000 0.000 0.303 1260 W C 2.246 178.630 176.519 -0.226 0.000 1.208 1260 W CA 1.691 58.974 57.345 -0.103 0.000 1.274 1260 W CB -1.206 28.178 29.460 -0.127 0.000 1.138 1260 W HN 0.324 nan 8.180 nan 0.000 0.515 1261 G N 2.293 111.079 108.800 -0.024 0.000 3.364 1261 G HA2 -0.351 3.608 3.960 -0.000 0.000 0.282 1261 G HA3 -0.351 3.608 3.960 -0.000 0.000 0.282 1261 G C -1.195 173.559 174.900 -0.243 0.000 1.007 1261 G CA 1.806 46.810 45.100 -0.159 0.000 0.817 1261 G HN 0.284 nan 8.290 nan 0.000 1.152 1262 P HA 0.399 nan 4.420 nan 0.000 0.238 1262 P C -0.584 176.658 177.300 -0.096 0.000 1.649 1262 P CA 1.192 64.247 63.100 -0.075 0.000 0.960 1262 P CB -0.498 31.197 31.700 -0.009 0.000 1.911 1263 A N 0.682 123.359 122.820 -0.239 0.000 2.330 1263 A HA 0.385 4.705 4.320 -0.000 0.000 0.303 1263 A C -0.327 177.003 177.584 -0.423 0.000 1.150 1263 A CA -0.482 51.435 52.037 -0.200 0.000 0.921 1263 A CB -0.514 18.460 19.000 -0.043 0.000 1.462 1263 A HN 0.408 nan 8.150 nan 0.000 0.388 1264 H N 0.616 119.571 119.070 -0.191 0.000 3.582 1264 H HA 0.146 4.702 4.556 -0.000 0.000 0.251 1264 H C 1.088 176.333 175.328 -0.138 0.000 1.095 1264 H CA 0.002 55.897 56.048 -0.254 0.000 1.157 1264 H CB 0.667 30.192 29.762 -0.395 0.000 1.485 1264 H HN 0.878 nan 8.280 nan 0.000 0.840 1265 G N -0.439 108.374 108.800 0.023 0.000 2.562 1265 G HA2 0.314 4.274 3.960 -0.000 0.000 0.275 1265 G HA3 0.314 4.274 3.960 -0.000 0.000 0.275 1265 G C 1.265 176.167 174.900 0.003 0.000 1.196 1265 G CA 0.051 45.150 45.100 -0.001 0.000 0.908 1265 G HN 0.255 nan 8.290 nan 0.000 0.524 1266 G N -0.629 108.168 108.800 -0.005 0.000 2.516 1266 G HA2 0.122 4.082 3.960 -0.000 0.000 0.221 1266 G HA3 0.122 4.082 3.960 -0.000 0.000 0.221 1266 G C 1.053 175.953 174.900 0.001 0.000 1.107 1266 G CA 1.597 46.698 45.100 0.001 0.000 0.747 1266 G HN 1.200 nan 8.290 nan 0.000 0.567 1267 A N -0.708 122.105 122.820 -0.011 0.000 2.605 1267 A HA 0.432 4.752 4.320 -0.000 0.000 0.292 1267 A C 1.324 178.891 177.584 -0.028 0.000 1.055 1267 A CA 0.050 52.074 52.037 -0.022 0.000 0.969 1267 A CB 0.195 19.168 19.000 -0.044 0.000 1.236 1267 A HN 0.186 nan 8.150 nan 0.000 0.534 1268 N N 0.480 119.177 118.700 -0.006 0.000 2.251 1268 N HA -0.006 4.734 4.740 -0.000 0.000 0.181 1268 N C 1.177 176.713 175.510 0.043 0.000 1.019 1268 N CA 1.634 54.685 53.050 0.003 0.000 0.862 1268 N CB 0.089 38.578 38.487 0.004 0.000 0.992 1268 N HN 0.496 nan 8.380 nan 0.000 0.429 1269 E N -0.275 119.963 120.200 0.063 0.000 2.413 1269 E HA 0.334 4.684 4.350 -0.000 0.000 0.203 1269 E C 1.445 178.084 176.600 0.065 0.000 0.957 1269 E CA 0.256 56.709 56.400 0.088 0.000 0.950 1269 E CB -0.097 29.678 29.700 0.124 0.000 0.957 1269 E HN 0.234 nan 8.360 nan 0.000 0.497 1270 A N 1.218 124.064 122.820 0.045 0.000 2.076 1270 A HA -0.041 4.278 4.320 -0.000 0.000 0.220 1270 A C 2.205 179.808 177.584 0.032 0.000 1.160 1270 A CA 1.764 53.822 52.037 0.034 0.000 0.653 1270 A CB -0.519 18.493 19.000 0.020 0.000 0.801 1270 A HN 0.281 nan 8.150 nan 0.000 0.455 1271 A N -0.349 122.490 122.820 0.032 0.000 1.871 1271 A HA 0.244 4.564 4.320 -0.000 0.000 0.211 1271 A C 1.596 179.226 177.584 0.076 0.000 1.207 1271 A CA 0.698 52.757 52.037 0.037 0.000 0.620 1271 A CB -0.444 18.561 19.000 0.009 0.000 0.860 1271 A HN 0.405 nan 8.150 nan 0.000 0.450 1272 L N -0.084 121.194 121.223 0.091 0.000 2.869 1272 L HA -0.031 4.309 4.340 -0.000 0.000 0.259 1272 L C 1.839 178.763 176.870 0.091 0.000 1.162 1272 L CA 0.291 55.203 54.840 0.120 0.000 0.975 1272 L CB -0.378 41.760 42.059 0.132 0.000 1.217 1272 L HN 0.253 nan 8.230 nan 0.000 0.418 1273 K N 0.883 121.328 120.400 0.074 0.000 2.159 1273 K HA 0.142 4.462 4.320 -0.000 0.000 0.210 1273 K C 1.554 178.190 176.600 0.059 0.000 1.026 1273 K CA 1.029 57.349 56.287 0.057 0.000 0.959 1273 K CB -0.006 32.521 32.500 0.045 0.000 0.890 1273 K HN 0.076 nan 8.250 nan 0.000 0.459 1274 M N 1.608 121.244 119.600 0.059 0.000 2.788 1274 M HA 0.002 4.482 4.480 -0.000 0.000 0.224 1274 M C 0.732 177.077 176.300 0.076 0.000 1.078 1274 M CA 0.328 55.661 55.300 0.056 0.000 1.046 1274 M CB 0.103 32.730 32.600 0.045 0.000 1.690 1274 M HN 0.055 nan 8.290 nan 0.000 0.532 1275 L N -0.694 120.589 121.223 0.100 0.000 2.168 1275 L HA 0.027 4.367 4.340 -0.000 0.000 0.203 1275 L C 2.107 179.050 176.870 0.120 0.000 1.078 1275 L CA 1.619 56.541 54.840 0.137 0.000 0.780 1275 L CB -0.525 41.644 42.059 0.183 0.000 0.939 1275 L HN 0.406 nan 8.230 nan 0.000 0.451 1276 E N -0.366 119.892 120.200 0.097 0.000 2.367 1276 E HA -0.109 4.241 4.350 -0.000 0.000 0.204 1276 E C 1.778 178.411 176.600 0.054 0.000 0.840 1276 E CA -0.000 56.449 56.400 0.081 0.000 1.051 1276 E CB 0.540 30.287 29.700 0.079 0.000 1.051 1276 E HN 0.296 nan 8.360 nan 0.000 0.509 1277 E N 0.183 120.411 120.200 0.046 0.000 2.219 1277 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 1277 E C 0.069 176.688 176.600 0.033 0.000 0.998 1277 E CA 0.788 57.208 56.400 0.034 0.000 0.818 1277 E CB 0.273 29.993 29.700 0.032 0.000 0.741 1277 E HN 0.100 nan 8.360 nan 0.000 0.477 1278 I N 0.335 120.927 120.570 0.038 0.000 2.466 1278 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 1278 I C -0.013 176.125 176.117 0.035 0.000 1.026 1278 I CA -0.524 60.795 61.300 0.031 0.000 1.078 1278 I CB 1.611 39.626 38.000 0.024 0.000 1.249 1278 I HN 0.010 nan 8.210 nan 0.000 0.429 1279 G N 7.164 115.981 108.800 0.028 0.000 3.114 1279 G HA2 0.651 4.611 3.960 -0.000 0.000 0.320 1279 G HA3 0.651 4.611 3.960 -0.000 0.000 0.320 1279 G C -0.771 174.140 174.900 0.019 0.000 1.453 1279 G CA -0.476 44.642 45.100 0.030 0.000 1.084 1279 G HN 0.617 nan 8.290 nan 0.000 0.516 1280 K N 1.739 122.147 120.400 0.014 0.000 2.584 1280 K HA 0.229 4.549 4.320 -0.000 0.000 0.260 1280 K C -0.216 176.376 176.600 -0.012 0.000 0.949 1280 K CA -0.999 55.289 56.287 0.001 0.000 0.888 1280 K CB 1.447 33.944 32.500 -0.005 0.000 1.330 1280 K HN 0.069 nan 8.250 nan 0.000 0.432 1281 K N 1.394 121.788 120.400 -0.011 0.000 2.030 1281 K HA -0.192 4.128 4.320 -0.000 0.000 0.222 1281 K C 0.103 176.667 176.600 -0.060 0.000 1.056 1281 K CA 1.945 58.218 56.287 -0.023 0.000 0.957 1281 K CB -0.100 32.390 32.500 -0.017 0.000 0.727 1281 K HN 0.647 nan 8.250 nan 0.000 0.452 1282 E N 0.492 120.645 120.200 -0.077 0.000 2.069 1282 E HA 0.110 4.460 4.350 -0.000 0.000 0.254 1282 E C 0.118 176.614 176.600 -0.174 0.000 1.088 1282 E CA -0.259 56.053 56.400 -0.146 0.000 1.017 1282 E CB 0.209 29.832 29.700 -0.127 0.000 1.226 1282 E HN 0.275 nan 8.360 nan 0.000 0.458 1283 N N 1.902 120.498 118.700 -0.173 0.000 2.626 1283 N HA -0.025 4.715 4.740 -0.000 0.000 0.339 1283 N C 1.196 176.634 175.510 -0.121 0.000 0.610 1283 N CA 0.076 53.042 53.050 -0.140 0.000 1.434 1283 N CB -0.221 38.230 38.487 -0.060 0.000 1.551 1283 N HN 0.227 nan 8.380 nan 0.000 1.653 1284 I N 3.026 123.554 120.570 -0.070 0.000 2.127 1284 I HA -0.105 4.065 4.170 -0.000 0.000 0.241 1284 I C -0.716 175.361 176.117 -0.066 0.000 1.075 1284 I CA 1.710 62.988 61.300 -0.038 0.000 1.334 1284 I CB -1.250 36.750 38.000 0.000 0.000 1.040 1284 I HN 0.305 nan 8.210 nan 0.000 0.405 1285 P HA -0.142 nan 4.420 nan 0.000 0.212 1285 P C 0.414 177.598 177.300 -0.194 0.000 1.163 1285 P CA 0.754 63.783 63.100 -0.117 0.000 0.892 1285 P CB -0.310 31.325 31.700 -0.108 0.000 0.766 1286 E N 1.620 121.643 120.200 -0.295 0.000 3.506 1286 E HA -0.168 4.181 4.350 -0.000 0.000 0.233 1286 E C -0.403 175.645 176.600 -0.921 0.000 0.936 1286 E CA -0.087 55.973 56.400 -0.567 0.000 0.931 1286 E CB -1.352 27.909 29.700 -0.731 0.000 0.864 1286 E HN 0.261 nan 8.360 nan 0.000 0.551 1287 F N 0.087 120.032 119.950 -0.009 0.000 3.079 1287 F HA -0.323 4.204 4.527 -0.000 0.000 0.274 1287 F C -0.340 175.457 175.800 -0.005 0.000 0.940 1287 F CA 0.698 58.694 58.000 -0.007 0.000 0.932 1287 F CB -2.124 36.876 39.000 -0.001 0.000 0.891 1287 F HN 0.120 nan 8.300 nan 0.000 0.722 1288 V N 0.005 119.948 119.914 0.049 0.000 3.608 1288 V HA 0.165 4.285 4.120 -0.000 0.000 0.203 1288 V C 1.834 177.952 176.094 0.041 0.000 1.154 1288 V CA 0.525 62.857 62.300 0.054 0.000 1.386 1288 V CB -0.099 31.705 31.823 -0.031 0.000 1.486 1288 V HN 0.185 nan 8.190 nan 0.000 0.491 1289 R N 1.113 121.616 120.500 0.005 0.000 2.526 1289 R HA 0.100 4.440 4.340 -0.000 0.000 0.223 1289 R C 1.620 177.893 176.300 -0.045 0.000 1.250 1289 R CA 0.050 56.150 56.100 0.001 0.000 1.227 1289 R CB -0.340 29.966 30.300 0.010 0.000 1.109 1289 R HN 0.290 nan 8.270 nan 0.000 0.499 1290 R N -0.702 119.776 120.500 -0.037 0.000 2.235 1290 R HA 0.060 4.400 4.340 -0.000 0.000 0.213 1290 R C 1.019 177.248 176.300 -0.119 0.000 1.059 1290 R CA 1.123 57.166 56.100 -0.096 0.000 0.997 1290 R CB 0.033 30.329 30.300 -0.005 0.000 0.884 1290 R HN 0.254 nan 8.270 nan 0.000 0.462 1291 A N -0.122 122.683 122.820 -0.024 0.000 2.736 1291 A HA 0.118 4.438 4.320 -0.000 0.000 0.222 1291 A C 1.432 179.047 177.584 0.051 0.000 1.267 1291 A CA -0.183 51.873 52.037 0.032 0.000 1.026 1291 A CB 0.261 19.296 19.000 0.057 0.000 1.281 1291 A HN 0.022 nan 8.150 nan 0.000 0.577 1292 K N 1.987 122.409 120.400 0.037 0.000 2.365 1292 K HA -0.041 4.279 4.320 -0.000 0.000 0.199 1292 K C -0.214 176.409 176.600 0.038 0.000 1.045 1292 K CA 1.134 57.445 56.287 0.040 0.000 0.962 1292 K CB -0.476 32.046 32.500 0.036 0.000 0.759 1292 K HN 0.642 nan 8.250 nan 0.000 0.469 1293 D N -0.301 120.135 120.400 0.060 0.000 2.351 1293 D HA 0.154 4.794 4.640 -0.000 0.000 0.251 1293 D C 0.299 176.619 176.300 0.034 0.000 1.137 1293 D CA -0.323 53.707 54.000 0.051 0.000 0.879 1293 D CB 1.563 42.494 40.800 0.217 0.000 1.181 1293 D HN -0.158 nan 8.370 nan 0.000 0.448 1294 K N 2.109 122.463 120.400 -0.078 0.000 2.378 1294 K HA 0.133 4.453 4.320 -0.000 0.000 0.222 1294 K C 1.269 177.793 176.600 -0.127 0.000 1.178 1294 K CA 0.146 56.402 56.287 -0.053 0.000 0.827 1294 K CB -0.407 32.079 32.500 -0.023 0.000 1.412 1294 K HN 0.358 nan 8.250 nan 0.000 0.443 1295 N N 0.436 119.032 118.700 -0.174 0.000 2.272 1295 N HA -0.053 4.687 4.740 -0.000 0.000 0.195 1295 N C 1.112 176.436 175.510 -0.311 0.000 1.048 1295 N CA 1.756 54.706 53.050 -0.167 0.000 0.912 1295 N CB -0.132 38.294 38.487 -0.103 0.000 1.096 1295 N HN -0.035 nan 8.380 nan 0.000 0.471 1296 D N -0.263 119.938 120.400 -0.332 0.000 2.255 1296 D HA 0.103 4.743 4.640 -0.000 0.000 0.224 1296 D C 0.209 175.893 176.300 -1.027 0.000 0.997 1296 D CA 1.218 54.962 54.000 -0.427 0.000 0.906 1296 D CB -0.430 40.255 40.800 -0.191 0.000 1.047 1296 D HN 0.230 nan 8.370 nan 0.000 0.458 1297 S N -0.833 114.509 115.700 -0.597 0.000 3.420 1297 S HA -0.245 4.225 4.470 -0.000 0.000 0.367 1297 S C 0.425 174.775 174.600 -0.418 0.000 1.063 1297 S CA 0.727 58.638 58.200 -0.482 0.000 1.073 1297 S CB -1.507 61.437 63.200 -0.428 0.000 0.905 1297 S HN 0.348 nan 8.310 nan 0.000 0.485 1298 F N -0.913 119.066 119.950 0.047 0.000 1.835 1298 F HA 0.303 4.831 4.527 0.000 0.000 0.231 1298 F C 1.544 177.417 175.800 0.121 0.000 1.216 1298 F CA -0.914 57.111 58.000 0.042 0.000 1.310 1298 F CB -0.317 38.673 39.000 -0.017 0.000 1.827 1298 F HN 0.018 nan 8.300 nan 0.000 0.352 1299 R N 1.917 122.587 120.500 0.284 0.000 2.387 1299 R HA 0.080 4.420 4.340 -0.000 0.000 0.203 1299 R C 0.677 177.061 176.300 0.140 0.000 1.121 1299 R CA 0.768 56.972 56.100 0.173 0.000 1.129 1299 R CB -0.868 29.499 30.300 0.111 0.000 0.905 1299 R HN 0.487 nan 8.270 nan 0.000 0.477 1300 L N -2.049 119.277 121.223 0.172 0.000 2.717 1300 L HA 0.216 4.556 4.340 -0.000 0.000 0.239 1300 L C 1.453 178.465 176.870 0.237 0.000 1.086 1300 L CA 0.120 55.059 54.840 0.166 0.000 0.897 1300 L CB -0.008 42.118 42.059 0.111 0.000 1.214 1300 L HN 0.214 nan 8.230 nan 0.000 0.508 1301 M N -0.198 119.590 119.600 0.313 0.000 2.509 1301 M HA 0.240 4.720 4.480 -0.000 0.000 0.250 1301 M C 0.802 177.330 176.300 0.381 0.000 1.132 1301 M CA 0.739 56.273 55.300 0.390 0.000 1.080 1301 M CB 0.639 33.529 32.600 0.484 0.000 1.408 1301 M HN 0.309 nan 8.290 nan 0.000 0.484 1302 G N 0.898 109.874 108.800 0.292 0.000 2.338 1302 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.115 1302 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.115 1302 G C -0.820 173.911 174.900 -0.282 0.000 1.053 1302 G CA -0.914 44.228 45.100 0.070 0.000 0.733 1302 G HN 0.293 nan 8.290 nan 0.000 0.482 1303 F N 0.483 120.487 119.950 0.089 0.000 2.659 1303 F HA 0.635 5.162 4.527 -0.000 0.000 0.342 1303 F C 0.767 176.507 175.800 -0.099 0.000 1.168 1303 F CA 0.251 58.266 58.000 0.025 0.000 1.003 1303 F CB 1.871 40.952 39.000 0.134 0.000 1.267 1303 F HN 1.078 nan 8.300 nan 0.000 0.463 1304 G N 2.072 110.728 108.800 -0.240 0.000 2.592 1304 G HA2 0.137 4.097 3.960 -0.000 0.000 0.684 1304 G HA3 0.137 4.097 3.960 -0.000 0.000 0.684 1304 G C -1.760 173.013 174.900 -0.212 0.000 1.291 1304 G CA -0.897 43.887 45.100 -0.526 0.000 0.891 1304 G HN 1.019 nan 8.290 nan 0.000 0.544 1305 H N -1.294 117.672 119.070 -0.174 0.000 3.093 1305 H HA 0.413 4.969 4.556 -0.000 0.000 0.312 1305 H C 1.140 176.506 175.328 0.063 0.000 1.213 1305 H CA 0.064 56.145 56.048 0.054 0.000 1.366 1305 H CB 0.795 30.700 29.762 0.238 0.000 1.998 1305 H HN 0.843 nan 8.280 nan 0.000 0.522 1306 R N 2.596 123.356 120.500 0.433 0.000 2.313 1306 R HA 0.091 4.431 4.340 -0.000 0.000 0.199 1306 R C -0.063 176.236 176.300 -0.002 0.000 0.958 1306 R CA 1.358 57.561 56.100 0.171 0.000 1.047 1306 R CB -0.099 30.273 30.300 0.120 0.000 0.955 1306 R HN 0.256 nan 8.270 nan 0.000 0.481 1307 V N -0.614 119.168 119.914 -0.221 0.000 2.521 1307 V HA 0.132 4.252 4.120 -0.000 0.000 0.239 1307 V C 0.195 175.974 176.094 -0.526 0.000 1.053 1307 V CA 0.504 62.462 62.300 -0.569 0.000 1.073 1307 V CB -0.370 30.776 31.823 -1.129 0.000 0.746 1307 V HN 0.120 nan 8.190 nan 0.000 0.476 1308 Y N 0.786 120.977 120.300 -0.183 0.000 2.299 1308 Y HA 0.304 4.854 4.550 -0.000 0.000 0.326 1308 Y C 1.331 177.244 175.900 0.021 0.000 1.164 1308 Y CA -0.506 57.517 58.100 -0.127 0.000 1.234 1308 Y CB 0.836 39.187 38.460 -0.183 0.000 1.219 1308 Y HN -0.060 nan 8.280 nan 0.000 0.497 1309 K N 1.250 121.721 120.400 0.119 0.000 2.021 1309 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 1309 K C 0.586 177.274 176.600 0.146 0.000 1.047 1309 K CA 1.605 57.962 56.287 0.116 0.000 0.943 1309 K CB 0.152 32.686 32.500 0.057 0.000 0.725 1309 K HN 0.718 nan 8.250 nan 0.000 0.439 1310 N N -1.305 117.398 118.700 0.006 0.000 2.445 1310 N HA 0.056 4.796 4.740 -0.000 0.000 0.204 1310 N C -0.211 174.998 175.510 -0.502 0.000 1.098 1310 N CA 0.252 53.274 53.050 -0.047 0.000 0.859 1310 N CB 0.817 39.361 38.487 0.095 0.000 1.249 1310 N HN 0.203 nan 8.380 nan 0.000 0.462 1311 Y N -1.244 118.639 120.300 -0.694 0.000 2.744 1311 Y HA 0.546 5.096 4.550 0.000 0.000 0.330 1311 Y C -1.736 173.851 175.900 -0.522 0.000 1.263 1311 Y CA -1.385 56.178 58.100 -0.896 0.000 1.065 1311 Y CB 0.628 38.816 38.460 -0.454 0.000 1.306 1311 Y HN -0.336 nan 8.280 nan 0.000 0.459 1312 D N 2.950 123.197 120.400 -0.254 0.000 2.427 1312 D HA 0.313 4.953 4.640 -0.000 0.000 0.226 1312 D C -1.880 174.233 176.300 -0.312 0.000 1.076 1312 D CA -2.479 51.314 54.000 -0.345 0.000 0.849 1312 D CB 1.801 42.664 40.800 0.105 0.000 1.052 1312 D HN 0.433 nan 8.370 nan 0.000 0.515 1313 P HA -0.137 nan 4.420 nan 0.000 0.224 1313 P C 0.851 178.062 177.300 -0.148 0.000 1.142 1313 P CA 0.776 63.731 63.100 -0.241 0.000 0.778 1313 P CB 0.521 32.000 31.700 -0.369 0.000 0.764 1314 R N -0.454 119.934 120.500 -0.186 0.000 2.156 1314 R HA 0.221 4.561 4.340 -0.000 0.000 0.207 1314 R C 2.543 178.783 176.300 -0.100 0.000 1.040 1314 R CA 0.803 56.819 56.100 -0.140 0.000 1.013 1314 R CB -0.725 29.459 30.300 -0.193 0.000 0.931 1314 R HN 0.075 nan 8.270 nan 0.000 0.465 1315 A N 1.005 123.800 122.820 -0.041 0.000 1.940 1315 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 1315 A C 2.001 179.441 177.584 -0.240 0.000 1.176 1315 A CA 1.956 53.984 52.037 -0.015 0.000 0.631 1315 A CB -0.935 18.187 19.000 0.204 0.000 0.814 1315 A HN 0.237 nan 8.150 nan 0.000 0.446 1316 T N -0.162 114.303 114.554 -0.150 0.000 2.594 1316 T HA -0.230 4.120 4.350 -0.000 0.000 0.266 1316 T C 1.822 176.403 174.700 -0.199 0.000 1.070 1316 T CA 2.335 64.331 62.100 -0.173 0.000 1.166 1316 T CB -0.584 68.221 68.868 -0.105 0.000 0.862 1316 T HN 0.251 nan 8.240 nan 0.000 0.436 1317 V N 0.479 120.303 119.914 -0.149 0.000 2.535 1317 V HA -0.005 4.115 4.120 -0.000 0.000 0.246 1317 V C 2.325 178.339 176.094 -0.134 0.000 1.045 1317 V CA 1.357 63.585 62.300 -0.119 0.000 1.058 1317 V CB -0.629 31.149 31.823 -0.075 0.000 0.689 1317 V HN 0.334 nan 8.190 nan 0.000 0.461 1318 M N 0.659 120.168 119.600 -0.152 0.000 2.106 1318 M HA -0.220 4.260 4.480 -0.000 0.000 0.259 1318 M C 2.242 178.449 176.300 -0.156 0.000 1.068 1318 M CA 2.035 57.275 55.300 -0.099 0.000 1.100 1318 M CB -0.546 32.046 32.600 -0.014 0.000 1.351 1318 M HN 0.213 nan 8.290 nan 0.000 0.404 1319 R N -0.101 120.106 120.500 -0.489 0.000 2.073 1319 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 1319 R C 1.894 178.116 176.300 -0.130 0.000 1.134 1319 R CA 2.177 57.974 56.100 -0.505 0.000 0.952 1319 R CB -0.386 29.383 30.300 -0.885 0.000 0.850 1319 R HN 0.546 nan 8.270 nan 0.000 0.433 1320 E N -0.736 119.391 120.200 -0.122 0.000 2.219 1320 E HA -0.188 4.162 4.350 -0.000 0.000 0.198 1320 E C 1.662 178.289 176.600 0.046 0.000 0.998 1320 E CA 1.844 58.234 56.400 -0.016 0.000 0.818 1320 E CB -0.034 29.645 29.700 -0.034 0.000 0.741 1320 E HN 0.457 nan 8.360 nan 0.000 0.477 1321 T N 0.033 114.593 114.554 0.010 0.000 2.978 1321 T HA -0.074 4.276 4.350 -0.000 0.000 0.262 1321 T C 2.090 176.810 174.700 0.034 0.000 1.063 1321 T CA 0.599 62.709 62.100 0.017 0.000 1.140 1321 T CB -0.294 68.577 68.868 0.006 0.000 0.886 1321 T HN 0.293 nan 8.240 nan 0.000 0.470 1322 C N 1.376 120.713 119.300 0.063 0.000 2.401 1322 C HA -0.131 4.329 4.460 -0.000 0.000 0.276 1322 C C 2.612 177.658 174.990 0.094 0.000 1.233 1322 C CA 1.032 60.096 59.018 0.076 0.000 1.753 1322 C CB -1.215 26.599 27.740 0.125 0.000 2.029 1322 C HN 0.684 nan 8.230 nan 0.000 0.478 1323 H N 1.666 120.748 119.070 0.020 0.000 2.251 1323 H HA -0.159 4.398 4.556 0.000 0.000 0.294 1323 H C 1.975 177.307 175.328 0.008 0.000 1.078 1323 H CA 2.434 58.491 56.048 0.015 0.000 1.246 1323 H CB -0.662 29.103 29.762 0.005 0.000 1.358 1323 H HN 0.570 nan 8.280 nan 0.000 0.488 1324 E N -0.456 119.571 120.200 -0.288 0.000 2.130 1324 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 1324 E C 2.510 179.011 176.600 -0.166 0.000 0.998 1324 E CA 1.468 57.675 56.400 -0.321 0.000 0.806 1324 E CB -0.100 29.509 29.700 -0.152 0.000 0.738 1324 E HN 0.315 nan 8.360 nan 0.000 0.459 1325 V N 1.512 121.379 119.914 -0.077 0.000 2.255 1325 V HA -0.211 3.909 4.120 -0.000 0.000 0.243 1325 V C 2.333 178.408 176.094 -0.030 0.000 1.038 1325 V CA 1.225 63.503 62.300 -0.037 0.000 1.008 1325 V CB -0.446 31.373 31.823 -0.007 0.000 0.645 1325 V HN 0.266 nan 8.190 nan 0.000 0.449 1326 L N 0.056 121.273 121.223 -0.010 0.000 1.971 1326 L HA -0.276 4.064 4.340 -0.000 0.000 0.215 1326 L C 2.551 179.415 176.870 -0.011 0.000 1.072 1326 L CA 2.486 57.328 54.840 0.005 0.000 0.758 1326 L CB -1.020 41.062 42.059 0.038 0.000 0.889 1326 L HN 0.409 nan 8.230 nan 0.000 0.433 1327 K N 0.420 120.803 120.400 -0.029 0.000 2.013 1327 K HA -0.332 3.988 4.320 -0.000 0.000 0.225 1327 K C 1.965 178.534 176.600 -0.052 0.000 1.056 1327 K CA 2.434 58.691 56.287 -0.050 0.000 0.971 1327 K CB -0.183 32.218 32.500 -0.164 0.000 0.731 1327 K HN 0.134 nan 8.250 nan 0.000 0.450 1328 E N 0.878 121.034 120.200 -0.074 0.000 2.037 1328 E HA -0.245 4.105 4.350 -0.000 0.000 0.214 1328 E C 2.012 178.589 176.600 -0.038 0.000 1.041 1328 E CA 2.357 58.724 56.400 -0.056 0.000 0.872 1328 E CB -0.774 28.892 29.700 -0.055 0.000 0.785 1328 E HN 0.451 nan 8.360 nan 0.000 0.476 1329 L N -0.710 120.494 121.223 -0.033 0.000 2.051 1329 L HA -0.226 4.114 4.340 -0.000 0.000 0.214 1329 L C 2.242 179.097 176.870 -0.024 0.000 1.076 1329 L CA 1.306 56.128 54.840 -0.029 0.000 0.758 1329 L CB -1.183 40.861 42.059 -0.025 0.000 0.890 1329 L HN 0.646 nan 8.230 nan 0.000 0.433 1330 G N -0.272 108.517 108.800 -0.018 0.000 4.608 1330 G HA2 -0.455 3.505 3.960 -0.000 0.000 0.352 1330 G HA3 -0.455 3.505 3.960 -0.000 0.000 0.352 1330 G C 0.876 175.771 174.900 -0.009 0.000 1.395 1330 G CA 0.888 45.981 45.100 -0.010 0.000 1.148 1330 G HN 0.294 nan 8.290 nan 0.000 0.804 1331 T N 2.304 116.850 114.554 -0.014 0.000 3.650 1331 T HA 0.297 4.647 4.350 -0.000 0.000 0.254 1331 T C 0.819 175.510 174.700 -0.016 0.000 1.130 1331 T CA 1.529 63.621 62.100 -0.014 0.000 0.984 1331 T CB -0.218 68.639 68.868 -0.018 0.000 1.039 1331 T HN 0.536 nan 8.240 nan 0.000 0.586 1332 K N 0.980 121.372 120.400 -0.013 0.000 2.817 1332 K HA 0.118 4.438 4.320 -0.000 0.000 0.183 1332 K C -0.043 176.555 176.600 -0.004 0.000 1.145 1332 K CA -0.024 56.254 56.287 -0.014 0.000 1.114 1332 K CB 0.771 33.255 32.500 -0.026 0.000 0.767 1332 K HN 0.434 nan 8.250 nan 0.000 0.453 1333 D N -1.324 119.078 120.400 0.003 0.000 2.278 1333 D HA -0.076 4.564 4.640 -0.000 0.000 0.228 1333 D C 0.579 176.889 176.300 0.018 0.000 1.364 1333 D CA -0.066 53.941 54.000 0.011 0.000 1.345 1333 D CB -0.367 40.440 40.800 0.011 0.000 1.961 1333 D HN -0.180 nan 8.370 nan 0.000 0.396 1334 D N 2.073 122.483 120.400 0.017 0.000 2.276 1334 D HA -0.161 4.479 4.640 -0.000 0.000 0.200 1334 D C 2.324 178.637 176.300 0.021 0.000 1.004 1334 D CA 1.962 55.975 54.000 0.021 0.000 0.898 1334 D CB -0.314 40.496 40.800 0.017 0.000 0.906 1334 D HN 0.517 nan 8.370 nan 0.000 0.457 1335 L N -1.872 119.362 121.223 0.018 0.000 2.179 1335 L HA 0.098 4.438 4.340 -0.000 0.000 0.208 1335 L C 1.635 178.520 176.870 0.025 0.000 1.096 1335 L CA 0.521 55.372 54.840 0.019 0.000 0.779 1335 L CB -0.483 41.586 42.059 0.016 0.000 0.922 1335 L HN -0.042 nan 8.230 nan 0.000 0.443 1336 L N 1.250 122.489 121.223 0.027 0.000 2.801 1336 L HA 0.150 4.490 4.340 -0.000 0.000 0.250 1336 L C 0.909 177.802 176.870 0.039 0.000 1.222 1336 L CA 0.708 55.568 54.840 0.032 0.000 1.054 1336 L CB -0.923 41.151 42.059 0.025 0.000 1.330 1336 L HN 0.228 nan 8.230 nan 0.000 0.426 1337 E N -0.451 119.774 120.200 0.041 0.000 2.411 1337 E HA 0.100 4.450 4.350 -0.000 0.000 0.204 1337 E C 1.148 177.781 176.600 0.055 0.000 1.059 1337 E CA 0.230 56.660 56.400 0.050 0.000 1.112 1337 E CB 0.128 29.854 29.700 0.043 0.000 1.168 1337 E HN 0.367 nan 8.360 nan 0.000 0.445 1338 V N -2.809 117.141 119.914 0.060 0.000 3.170 1338 V HA 0.505 4.625 4.120 -0.000 0.000 0.354 1338 V C 1.208 177.365 176.094 0.106 0.000 1.350 1338 V CA 0.455 62.792 62.300 0.061 0.000 1.244 1338 V CB 0.248 32.101 31.823 0.050 0.000 1.222 1338 V HN 0.092 nan 8.190 nan 0.000 0.478 1339 A N 0.618 123.517 122.820 0.131 0.000 1.919 1339 A HA 0.251 4.571 4.320 -0.000 0.000 0.211 1339 A C 1.995 179.720 177.584 0.234 0.000 1.310 1339 A CA 1.180 53.359 52.037 0.236 0.000 0.651 1339 A CB -0.329 18.776 19.000 0.175 0.000 0.996 1339 A HN 0.411 nan 8.150 nan 0.000 0.479 1340 M N -0.002 119.697 119.600 0.164 0.000 2.143 1340 M HA -0.217 4.263 4.480 -0.000 0.000 0.258 1340 M C 1.770 178.115 176.300 0.075 0.000 1.071 1340 M CA 1.546 56.921 55.300 0.125 0.000 1.088 1340 M CB -0.454 32.198 32.600 0.087 0.000 1.360 1340 M HN 0.327 nan 8.290 nan 0.000 0.404 1341 E N 0.324 120.559 120.200 0.059 0.000 2.152 1341 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 1341 E C 2.071 178.661 176.600 -0.018 0.000 0.983 1341 E CA 1.006 57.413 56.400 0.011 0.000 0.818 1341 E CB -0.289 29.412 29.700 0.003 0.000 0.758 1341 E HN 0.553 nan 8.360 nan 0.000 0.467 1342 L N 0.627 121.873 121.223 0.039 0.000 2.007 1342 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 1342 L C 2.671 179.512 176.870 -0.048 0.000 1.073 1342 L CA 1.171 56.017 54.840 0.010 0.000 0.744 1342 L CB -0.454 41.728 42.059 0.206 0.000 0.898 1342 L HN 0.121 nan 8.230 nan 0.000 0.435 1343 E N 0.783 120.997 120.200 0.022 0.000 2.065 1343 E HA -0.348 4.002 4.350 -0.000 0.000 0.201 1343 E C 1.893 178.454 176.600 -0.065 0.000 1.016 1343 E CA 2.232 58.583 56.400 -0.082 0.000 0.818 1343 E CB -0.112 29.616 29.700 0.046 0.000 0.749 1343 E HN 0.378 nan 8.360 nan 0.000 0.453 1344 N N 0.205 118.879 118.700 -0.043 0.000 2.018 1344 N HA -0.203 4.537 4.740 -0.000 0.000 0.196 1344 N C 1.956 177.376 175.510 -0.151 0.000 1.043 1344 N CA 2.198 55.211 53.050 -0.062 0.000 0.856 1344 N CB -0.260 38.203 38.487 -0.040 0.000 1.042 1344 N HN 0.234 nan 8.380 nan 0.000 0.423 1345 I N 0.407 120.831 120.570 -0.244 0.000 2.074 1345 I HA -0.403 3.767 4.170 -0.000 0.000 0.238 1345 I C 2.359 178.096 176.117 -0.634 0.000 1.037 1345 I CA 1.606 62.653 61.300 -0.422 0.000 1.301 1345 I CB -0.763 36.891 38.000 -0.577 0.000 1.016 1345 I HN 0.311 nan 8.210 nan 0.000 0.400 1346 A N 0.994 123.284 122.820 -0.884 0.000 1.896 1346 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 1346 A C 2.277 179.802 177.584 -0.099 0.000 1.206 1346 A CA 2.043 53.656 52.037 -0.707 0.000 0.647 1346 A CB -1.163 17.821 19.000 -0.027 0.000 0.828 1346 A HN 0.479 nan 8.150 nan 0.000 0.455 1347 L N -0.875 120.320 121.223 -0.047 0.000 2.079 1347 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 1347 L C 1.799 178.688 176.870 0.032 0.000 1.081 1347 L CA 1.637 56.497 54.840 0.034 0.000 0.752 1347 L CB -0.547 41.525 42.059 0.023 0.000 0.896 1347 L HN 0.526 nan 8.230 nan 0.000 0.433 1348 N N -2.287 116.405 118.700 -0.014 0.000 2.317 1348 N HA -0.014 4.726 4.740 -0.000 0.000 0.199 1348 N C 0.355 175.882 175.510 0.029 0.000 1.145 1348 N CA 0.002 53.059 53.050 0.011 0.000 0.882 1348 N CB 0.305 38.789 38.487 -0.004 0.000 1.113 1348 N HN 0.189 nan 8.380 nan 0.000 0.486 1349 D N 3.313 123.711 120.400 -0.003 0.000 2.412 1349 D HA 0.029 4.669 4.640 -0.000 0.000 0.257 1349 D C -1.531 174.890 176.300 0.203 0.000 1.217 1349 D CA -1.357 52.690 54.000 0.078 0.000 0.897 1349 D CB 1.858 42.684 40.800 0.043 0.000 1.132 1349 D HN -0.025 nan 8.370 nan 0.000 0.493 1350 P HA -0.213 nan 4.420 nan 0.000 0.216 1350 P C 1.160 178.566 177.300 0.176 0.000 1.154 1350 P CA 1.097 64.281 63.100 0.140 0.000 0.865 1350 P CB -0.123 31.638 31.700 0.101 0.000 0.789 1351 Y N -1.134 119.207 120.300 0.069 0.000 2.241 1351 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 1351 Y C 1.882 177.701 175.900 -0.134 0.000 1.166 1351 Y CA 1.530 59.604 58.100 -0.043 0.000 1.203 1351 Y CB -0.853 37.577 38.460 -0.050 0.000 0.977 1351 Y HN -0.133 nan 8.280 nan 0.000 0.529 1352 F N -0.865 119.174 119.950 0.149 0.000 2.179 1352 F HA -0.053 4.474 4.527 -0.000 0.000 0.292 1352 F C 2.310 178.133 175.800 0.039 0.000 1.089 1352 F CA 1.065 59.103 58.000 0.064 0.000 1.295 1352 F CB -0.739 38.276 39.000 0.026 0.000 1.041 1352 F HN -0.106 nan 8.300 nan 0.000 0.487 1353 I N 0.130 120.850 120.570 0.249 0.000 2.248 1353 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 1353 I C 2.486 178.655 176.117 0.087 0.000 1.107 1353 I CA 1.742 63.136 61.300 0.157 0.000 1.373 1353 I CB -0.422 37.650 38.000 0.120 0.000 1.055 1353 I HN 0.282 nan 8.210 nan 0.000 0.418 1354 E N 1.286 121.504 120.200 0.030 0.000 2.158 1354 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 1354 E C 1.385 177.927 176.600 -0.096 0.000 0.982 1354 E CA 0.894 57.269 56.400 -0.042 0.000 0.823 1354 E CB 0.259 29.906 29.700 -0.088 0.000 0.766 1354 E HN 0.234 nan 8.360 nan 0.000 0.468 1355 K N 0.659 120.966 120.400 -0.154 0.000 2.437 1355 K HA 0.090 4.410 4.320 -0.000 0.000 0.198 1355 K C -0.124 176.427 176.600 -0.081 0.000 1.024 1355 K CA -0.026 56.138 56.287 -0.205 0.000 1.148 1355 K CB 0.472 32.708 32.500 -0.439 0.000 0.860 1355 K HN -0.062 nan 8.250 nan 0.000 0.515 1356 K N 0.216 120.639 120.400 0.039 0.000 2.975 1356 K HA -0.207 4.113 4.320 -0.000 0.000 0.257 1356 K C -0.485 176.103 176.600 -0.020 0.000 1.005 1356 K CA 0.614 56.972 56.287 0.117 0.000 0.738 1356 K CB -2.090 30.495 32.500 0.142 0.000 1.236 1356 K HN 0.288 nan 8.250 nan 0.000 0.483 1357 L N 1.931 123.174 121.223 0.033 0.000 2.934 1357 L HA 0.109 4.449 4.340 -0.000 0.000 0.233 1357 L C 0.688 177.765 176.870 0.344 0.000 1.358 1357 L CA -0.870 54.012 54.840 0.070 0.000 1.233 1357 L CB -0.624 41.388 42.059 -0.078 0.000 1.594 1357 L HN 0.108 nan 8.230 nan 0.000 0.439 1358 Y N -1.168 119.324 120.300 0.321 0.000 2.357 1358 Y HA 0.450 5.000 4.550 -0.000 0.000 0.340 1358 Y C -2.458 173.543 175.900 0.169 0.000 1.260 1358 Y CA -3.870 54.389 58.100 0.265 0.000 1.425 1358 Y CB -0.842 37.737 38.460 0.199 0.000 1.326 1358 Y HN 0.045 nan 8.280 nan 0.000 0.580 1359 P HA 0.144 nan 4.420 nan 0.000 0.276 1359 P C -1.113 176.289 177.300 0.170 0.000 1.230 1359 P CA -0.147 62.780 63.100 -0.290 0.000 0.776 1359 P CB 0.719 32.075 31.700 -0.573 0.000 0.888 1360 N N 1.081 119.829 118.700 0.080 0.000 2.619 1360 N HA 0.181 4.921 4.740 -0.000 0.000 0.294 1360 N C 0.736 176.429 175.510 0.306 0.000 1.279 1360 N CA -0.924 52.296 53.050 0.284 0.000 0.867 1360 N CB -0.181 38.467 38.487 0.267 0.000 1.329 1360 N HN 0.037 nan 8.380 nan 0.000 0.557 1361 V N -0.058 120.003 119.914 0.246 0.000 2.380 1361 V HA -0.242 3.878 4.120 -0.000 0.000 0.251 1361 V C 0.940 177.101 176.094 0.112 0.000 1.063 1361 V CA 2.202 64.609 62.300 0.178 0.000 1.055 1361 V CB -0.833 30.945 31.823 -0.076 0.000 0.657 1361 V HN 0.637 nan 8.190 nan 0.000 0.455 1362 D N -0.878 119.560 120.400 0.063 0.000 2.263 1362 D HA -0.162 4.478 4.640 -0.000 0.000 0.208 1362 D C 1.774 178.130 176.300 0.092 0.000 0.971 1362 D CA 1.490 55.525 54.000 0.059 0.000 0.867 1362 D CB -0.126 40.737 40.800 0.105 0.000 0.929 1362 D HN 0.636 nan 8.370 nan 0.000 0.492 1363 F N 0.605 120.479 119.950 -0.127 0.000 2.098 1363 F HA -0.172 4.355 4.527 -0.000 0.000 0.294 1363 F C 1.981 177.614 175.800 -0.278 0.000 1.107 1363 F CA 1.186 59.007 58.000 -0.299 0.000 1.234 1363 F CB -0.654 37.948 39.000 -0.663 0.000 1.002 1363 F HN -0.128 nan 8.300 nan 0.000 0.472 1364 Y N 0.214 120.420 120.300 -0.155 0.000 2.293 1364 Y HA -0.152 4.398 4.550 -0.000 0.000 0.291 1364 Y C 2.733 178.518 175.900 -0.192 0.000 1.137 1364 Y CA 1.374 59.333 58.100 -0.234 0.000 1.202 1364 Y CB -0.912 37.532 38.460 -0.027 0.000 0.990 1364 Y HN 0.051 nan 8.280 nan 0.000 0.537 1365 S N -0.321 115.390 115.700 0.018 0.000 2.371 1365 S HA -0.108 4.362 4.470 -0.000 0.000 0.224 1365 S C 2.425 176.941 174.600 -0.139 0.000 1.029 1365 S CA 0.961 59.177 58.200 0.027 0.000 0.978 1365 S CB -0.860 62.427 63.200 0.144 0.000 0.833 1365 S HN 0.645 nan 8.310 nan 0.000 0.466 1366 G N 2.183 110.858 108.800 -0.208 0.000 2.446 1366 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 1366 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 1366 G C 1.330 176.011 174.900 -0.366 0.000 1.168 1366 G CA 0.855 45.705 45.100 -0.417 0.000 0.771 1366 G HN 0.466 nan 8.290 nan 0.000 0.551 1367 I N 0.616 120.971 120.570 -0.358 0.000 2.099 1367 I HA -0.193 3.977 4.170 -0.000 0.000 0.239 1367 I C 2.752 178.780 176.117 -0.149 0.000 1.066 1367 I CA 1.068 62.206 61.300 -0.270 0.000 1.324 1367 I CB -0.335 37.448 38.000 -0.361 0.000 1.037 1367 I HN 0.146 nan 8.210 nan 0.000 0.401 1368 I N 0.602 121.099 120.570 -0.120 0.000 2.151 1368 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 1368 I C 2.532 178.615 176.117 -0.057 0.000 1.080 1368 I CA 1.683 62.950 61.300 -0.055 0.000 1.339 1368 I CB -0.381 37.609 38.000 -0.016 0.000 1.039 1368 I HN 0.252 nan 8.210 nan 0.000 0.409 1369 L N 0.293 121.425 121.223 -0.152 0.000 2.027 1369 L HA -0.193 4.147 4.340 -0.000 0.000 0.206 1369 L C 2.361 179.233 176.870 0.004 0.000 1.074 1369 L CA 1.433 56.182 54.840 -0.152 0.000 0.745 1369 L CB -0.561 41.173 42.059 -0.541 0.000 0.898 1369 L HN 0.130 nan 8.230 nan 0.000 0.433 1370 K N -0.133 120.264 120.400 -0.004 0.000 2.519 1370 K HA -0.105 4.215 4.320 -0.000 0.000 0.196 1370 K C 1.786 178.440 176.600 0.091 0.000 1.041 1370 K CA 0.834 57.231 56.287 0.184 0.000 0.954 1370 K CB -0.018 32.590 32.500 0.181 0.000 0.774 1370 K HN 0.334 nan 8.250 nan 0.000 0.480 1371 A N 0.247 123.092 122.820 0.041 0.000 1.993 1371 A HA 0.078 4.398 4.320 -0.000 0.000 0.207 1371 A C 1.781 179.383 177.584 0.030 0.000 1.224 1371 A CA 0.101 52.153 52.037 0.025 0.000 0.749 1371 A CB 0.006 19.009 19.000 0.005 0.000 0.884 1371 A HN 0.120 nan 8.150 nan 0.000 0.467 1372 M N -0.468 119.169 119.600 0.062 0.000 2.632 1372 M HA 0.104 4.584 4.480 -0.000 0.000 0.256 1372 M C 1.237 177.570 176.300 0.054 0.000 1.080 1372 M CA 1.041 56.397 55.300 0.092 0.000 1.084 1372 M CB -0.053 32.663 32.600 0.192 0.000 1.439 1372 M HN 0.656 nan 8.290 nan 0.000 0.509 1373 G N 1.904 110.750 108.800 0.076 0.000 2.141 1373 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.195 1373 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.195 1373 G C -0.179 174.893 174.900 0.285 0.000 1.012 1373 G CA -0.547 44.581 45.100 0.047 0.000 0.696 1373 G HN 0.446 nan 8.290 nan 0.000 0.508 1374 I N 2.367 123.099 120.570 0.270 0.000 2.354 1374 I HA 0.356 4.526 4.170 -0.000 0.000 0.292 1374 I C -1.693 174.550 176.117 0.210 0.000 0.989 1374 I CA -2.545 58.863 61.300 0.180 0.000 1.188 1374 I CB 1.978 40.083 38.000 0.174 0.000 1.342 1374 I HN -0.069 nan 8.210 nan 0.000 0.457 1375 P HA 0.081 nan 4.420 nan 0.000 0.275 1375 P C 0.559 177.432 177.300 -0.711 0.000 1.228 1375 P CA -0.360 62.644 63.100 -0.162 0.000 0.786 1375 P CB 1.197 32.863 31.700 -0.056 0.000 0.927 1376 S N 0.975 116.051 115.700 -1.041 0.000 2.419 1376 S HA -0.158 4.311 4.470 -0.000 0.000 0.235 1376 S C 1.569 175.590 174.600 -0.965 0.000 1.019 1376 S CA 1.478 58.607 58.200 -1.786 0.000 0.982 1376 S CB -1.488 61.246 63.200 -0.776 0.000 0.789 1376 S HN 0.587 nan 8.310 nan 0.000 0.490 1377 S N -0.019 115.353 115.700 -0.546 0.000 2.660 1377 S HA 0.290 4.760 4.470 -0.000 0.000 0.223 1377 S C 1.130 175.551 174.600 -0.299 0.000 0.963 1377 S CA 0.005 57.960 58.200 -0.409 0.000 0.932 1377 S CB -0.247 62.641 63.200 -0.520 0.000 0.775 1377 S HN 0.388 nan 8.310 nan 0.000 0.531 1378 M N -0.120 119.290 119.600 -0.317 0.000 2.289 1378 M HA 0.423 4.903 4.480 -0.000 0.000 0.335 1378 M C 0.464 176.716 176.300 -0.080 0.000 0.961 1378 M CA -0.226 54.981 55.300 -0.155 0.000 1.018 1378 M CB -0.584 31.935 32.600 -0.135 0.000 1.678 1378 M HN 0.384 nan 8.290 nan 0.000 0.589 1379 F N 0.449 120.192 119.950 -0.344 0.000 2.098 1379 F HA -0.152 4.375 4.527 -0.000 0.000 0.294 1379 F C 2.225 177.365 175.800 -1.101 0.000 1.107 1379 F CA 1.067 58.638 58.000 -0.714 0.000 1.234 1379 F CB -0.374 38.328 39.000 -0.497 0.000 1.002 1379 F HN 0.098 nan 8.300 nan 0.000 0.472 1380 T N 0.300 114.647 114.554 -0.345 0.000 2.746 1380 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 1380 T C 2.074 176.657 174.700 -0.195 0.000 1.039 1380 T CA 1.071 63.051 62.100 -0.199 0.000 1.142 1380 T CB -0.569 68.303 68.868 0.008 0.000 0.866 1380 T HN -0.010 nan 8.240 nan 0.000 0.444 1381 V N 1.547 121.342 119.914 -0.199 0.000 2.282 1381 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 1381 V C 2.358 178.357 176.094 -0.159 0.000 1.057 1381 V CA 1.656 63.868 62.300 -0.148 0.000 1.032 1381 V CB -0.603 31.149 31.823 -0.118 0.000 0.645 1381 V HN 0.513 nan 8.190 nan 0.000 0.447 1382 I N -1.195 119.226 120.570 -0.249 0.000 2.394 1382 I HA -0.201 3.969 4.170 -0.000 0.000 0.251 1382 I C 2.205 178.212 176.117 -0.183 0.000 1.136 1382 I CA 1.631 62.768 61.300 -0.271 0.000 1.425 1382 I CB -0.317 37.532 38.000 -0.253 0.000 1.079 1382 I HN 0.273 nan 8.210 nan 0.000 0.425 1383 F N 0.466 120.262 119.950 -0.256 0.000 2.367 1383 F HA -0.076 4.451 4.527 0.000 0.000 0.298 1383 F C 2.603 178.260 175.800 -0.238 0.000 1.094 1383 F CA 0.318 58.097 58.000 -0.369 0.000 1.409 1383 F CB -0.193 38.598 39.000 -0.348 0.000 1.064 1383 F HN 0.039 nan 8.300 nan 0.000 0.528 1384 A N 0.505 123.339 122.820 0.023 0.000 1.898 1384 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 1384 A C 2.162 179.666 177.584 -0.133 0.000 1.183 1384 A CA 0.969 53.002 52.037 -0.007 0.000 0.622 1384 A CB -0.734 18.393 19.000 0.211 0.000 0.824 1384 A HN 0.404 nan 8.150 nan 0.000 0.444 1385 M N 0.020 119.567 119.600 -0.088 0.000 2.108 1385 M HA -0.231 4.249 4.480 -0.000 0.000 0.257 1385 M C 2.108 178.341 176.300 -0.112 0.000 1.071 1385 M CA 2.139 57.385 55.300 -0.091 0.000 1.093 1385 M CB -0.251 32.233 32.600 -0.193 0.000 1.345 1385 M HN 0.392 nan 8.290 nan 0.000 0.403 1386 A N 0.189 122.890 122.820 -0.198 0.000 1.898 1386 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 1386 A C 2.021 179.512 177.584 -0.156 0.000 1.183 1386 A CA 1.515 53.425 52.037 -0.212 0.000 0.622 1386 A CB -0.614 18.224 19.000 -0.271 0.000 0.824 1386 A HN 0.554 nan 8.150 nan 0.000 0.444 1387 R N 0.357 120.630 120.500 -0.377 0.000 2.293 1387 R HA -0.046 4.294 4.340 -0.000 0.000 0.219 1387 R C 1.688 177.402 176.300 -0.976 0.000 1.091 1387 R CA 1.767 57.449 56.100 -0.698 0.000 1.004 1387 R CB -1.377 28.335 30.300 -0.981 0.000 0.865 1387 R HN 0.501 nan 8.270 nan 0.000 0.469 1388 T N -0.780 113.426 114.554 -0.580 0.000 2.684 1388 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 1388 T C 1.720 176.431 174.700 0.017 0.000 1.036 1388 T CA 1.564 63.595 62.100 -0.115 0.000 1.148 1388 T CB -0.484 68.450 68.868 0.110 0.000 0.863 1388 T HN 0.160 nan 8.240 nan 0.000 0.436 1389 V N 1.379 121.288 119.914 -0.009 0.000 2.469 1389 V HA -0.092 4.028 4.120 -0.000 0.000 0.251 1389 V C 2.456 178.531 176.094 -0.033 0.000 1.064 1389 V CA 2.320 64.598 62.300 -0.037 0.000 1.066 1389 V CB -1.078 30.662 31.823 -0.139 0.000 0.667 1389 V HN 0.586 nan 8.190 nan 0.000 0.461 1390 G N -1.108 107.650 108.800 -0.070 0.000 2.414 1390 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.215 1390 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.215 1390 G C 1.323 176.373 174.900 0.251 0.000 1.188 1390 G CA 0.906 46.012 45.100 0.009 0.000 0.783 1390 G HN 0.578 nan 8.290 nan 0.000 0.537 1391 W N 0.986 122.380 121.300 0.156 0.000 2.335 1391 W HA 0.038 4.698 4.660 -0.000 0.000 0.311 1391 W C 2.569 179.162 176.519 0.124 0.000 1.213 1391 W CA 0.280 57.710 57.345 0.142 0.000 1.274 1391 W CB -1.134 28.361 29.460 0.059 0.000 1.148 1391 W HN 0.187 nan 8.180 nan 0.000 0.498 1392 I N 0.347 121.090 120.570 0.288 0.000 2.208 1392 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 1392 I C 2.544 178.764 176.117 0.171 0.000 1.097 1392 I CA 1.630 63.017 61.300 0.145 0.000 1.363 1392 I CB -0.963 37.059 38.000 0.036 0.000 1.051 1392 I HN -0.155 nan 8.210 nan 0.000 0.413 1393 A N -0.150 122.730 122.820 0.099 0.000 1.930 1393 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 1393 A C 2.221 179.823 177.584 0.030 0.000 1.175 1393 A CA 1.307 53.351 52.037 0.011 0.000 0.627 1393 A CB -0.775 18.163 19.000 -0.103 0.000 0.815 1393 A HN 0.396 nan 8.150 nan 0.000 0.443 1394 H N -2.498 116.659 119.070 0.145 0.000 2.326 1394 H HA -0.163 4.393 4.556 -0.000 0.000 0.301 1394 H C 1.965 177.379 175.328 0.143 0.000 1.081 1394 H CA 1.775 57.904 56.048 0.136 0.000 1.334 1394 H CB -0.438 29.426 29.762 0.169 0.000 1.385 1394 H HN 0.795 nan 8.280 nan 0.000 0.504 1395 W N 1.823 123.177 121.300 0.091 0.000 2.355 1395 W HA -0.188 4.472 4.660 -0.000 0.000 0.309 1395 W C 2.579 179.038 176.519 -0.100 0.000 1.206 1395 W CA 1.891 59.193 57.345 -0.073 0.000 1.284 1395 W CB -0.227 29.186 29.460 -0.078 0.000 1.145 1395 W HN -0.074 nan 8.180 nan 0.000 0.502 1396 S N -0.032 115.866 115.700 0.330 0.000 2.442 1396 S HA -0.217 4.253 4.470 -0.000 0.000 0.236 1396 S C 1.600 176.209 174.600 0.016 0.000 1.007 1396 S CA 1.520 59.817 58.200 0.163 0.000 0.965 1396 S CB -0.335 62.982 63.200 0.195 0.000 0.773 1396 S HN 0.490 nan 8.310 nan 0.000 0.504 1397 E N 1.047 121.255 120.200 0.013 0.000 2.021 1397 E HA -0.052 4.298 4.350 -0.000 0.000 0.189 1397 E C 2.158 178.732 176.600 -0.043 0.000 0.980 1397 E CA 0.641 57.033 56.400 -0.012 0.000 0.803 1397 E CB -0.227 29.473 29.700 -0.000 0.000 0.766 1397 E HN 0.327 nan 8.360 nan 0.000 0.449 1398 M N 0.539 120.095 119.600 -0.074 0.000 2.260 1398 M HA -0.215 4.265 4.480 -0.000 0.000 0.261 1398 M C 1.095 177.309 176.300 -0.144 0.000 1.066 1398 M CA 1.831 57.057 55.300 -0.124 0.000 1.082 1398 M CB -0.586 31.909 32.600 -0.176 0.000 1.388 1398 M HN 0.292 nan 8.290 nan 0.000 0.419 1399 H N -0.801 118.095 119.070 -0.291 0.000 2.547 1399 H HA 0.025 4.581 4.556 -0.000 0.000 0.266 1399 H C 2.058 177.264 175.328 -0.204 0.000 0.988 1399 H CA 0.785 56.627 56.048 -0.342 0.000 1.147 1399 H CB 0.418 29.826 29.762 -0.591 0.000 1.365 1399 H HN 0.581 nan 8.280 nan 0.000 0.589 1400 S N -0.564 115.121 115.700 -0.025 0.000 2.483 1400 S HA -0.059 4.411 4.470 -0.000 0.000 0.221 1400 S C 1.276 175.858 174.600 -0.030 0.000 1.030 1400 S CA 0.204 58.386 58.200 -0.029 0.000 0.925 1400 S CB 0.308 63.495 63.200 -0.022 0.000 0.795 1400 S HN 0.164 nan 8.310 nan 0.000 0.511 1401 D N 2.067 122.449 120.400 -0.030 0.000 2.378 1401 D HA 0.262 4.902 4.640 -0.000 0.000 0.227 1401 D C 1.190 177.472 176.300 -0.030 0.000 1.012 1401 D CA 1.020 55.003 54.000 -0.028 0.000 0.905 1401 D CB -0.143 40.640 40.800 -0.028 0.000 0.895 1401 D HN 0.681 nan 8.370 nan 0.000 0.532 1402 G N 1.150 109.930 108.800 -0.034 0.000 2.288 1402 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.205 1402 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.205 1402 G C 0.431 175.314 174.900 -0.029 0.000 1.071 1402 G CA 0.005 45.081 45.100 -0.039 0.000 0.788 1402 G HN 0.300 nan 8.290 nan 0.000 0.491 1403 M N -0.665 118.935 119.600 -0.000 0.000 2.787 1403 M HA -0.174 4.306 4.480 -0.000 0.000 0.176 1403 M C 0.788 177.082 176.300 -0.009 0.000 1.139 1403 M CA 1.553 56.885 55.300 0.053 0.000 0.681 1403 M CB -0.437 32.197 32.600 0.057 0.000 1.180 1403 M HN 0.620 nan 8.290 nan 0.000 0.788 1404 K N 3.535 123.914 120.400 -0.035 0.000 2.258 1404 K HA 0.036 4.356 4.320 -0.000 0.000 0.266 1404 K C -0.479 176.099 176.600 -0.037 0.000 1.204 1404 K CA 0.104 56.368 56.287 -0.039 0.000 1.206 1404 K CB -0.210 32.260 32.500 -0.050 0.000 0.854 1404 K HN 0.633 nan 8.250 nan 0.000 0.453 1405 I N 4.077 124.634 120.570 -0.022 0.000 2.483 1405 I HA -0.027 4.143 4.170 -0.000 0.000 0.291 1405 I C 0.714 176.822 176.117 -0.016 0.000 1.112 1405 I CA -0.166 61.127 61.300 -0.012 0.000 1.350 1405 I CB 0.667 38.666 38.000 -0.001 0.000 1.419 1405 I HN 0.522 nan 8.210 nan 0.000 0.523 1406 A N 8.229 131.035 122.820 -0.023 0.000 2.797 1406 A HA 0.296 4.616 4.320 -0.000 0.000 0.296 1406 A C 0.497 178.082 177.584 0.001 0.000 1.580 1406 A CA -0.408 51.609 52.037 -0.032 0.000 1.277 1406 A CB -0.473 18.490 19.000 -0.061 0.000 1.101 1406 A HN 0.755 nan 8.150 nan 0.000 0.562 1407 R N 2.811 123.323 120.500 0.020 0.000 2.724 1407 R HA 0.280 4.620 4.340 -0.000 0.000 0.284 1407 R C -2.436 173.909 176.300 0.076 0.000 1.481 1407 R CA -1.253 54.873 56.100 0.045 0.000 1.652 1407 R CB 0.201 30.525 30.300 0.041 0.000 1.175 1407 R HN 0.475 nan 8.270 nan 0.000 0.613 1408 P HA 0.065 nan 4.420 nan 0.000 0.273 1408 P C 0.102 177.496 177.300 0.157 0.000 1.258 1408 P CA -0.337 62.861 63.100 0.165 0.000 0.802 1408 P CB 0.693 32.542 31.700 0.249 0.000 1.040 1409 R N -0.390 120.222 120.500 0.187 0.000 2.810 1409 R HA 0.472 4.812 4.340 -0.000 0.000 0.245 1409 R C 0.095 176.477 176.300 0.136 0.000 1.168 1409 R CA -0.555 55.634 56.100 0.148 0.000 1.096 1409 R CB 0.831 31.233 30.300 0.171 0.000 1.259 1409 R HN 0.686 nan 8.270 nan 0.000 0.518 1410 Q N -0.287 119.575 119.800 0.103 0.000 2.544 1410 Q HA 0.616 4.956 4.340 -0.000 0.000 0.291 1410 Q C -1.330 174.738 176.000 0.115 0.000 1.068 1410 Q CA -1.047 54.832 55.803 0.127 0.000 0.785 1410 Q CB 1.595 30.401 28.738 0.113 0.000 1.481 1410 Q HN 0.247 nan 8.270 nan 0.000 0.430 1411 L N 1.721 123.029 121.223 0.142 0.000 2.294 1411 L HA 0.418 4.758 4.340 -0.000 0.000 0.283 1411 L C -1.745 175.170 176.870 0.075 0.000 1.015 1411 L CA -0.555 54.307 54.840 0.037 0.000 0.831 1411 L CB 1.017 43.006 42.059 -0.116 0.000 1.217 1411 L HN 0.734 nan 8.230 nan 0.000 0.420 1412 Y N 3.776 124.036 120.300 -0.066 0.000 2.436 1412 Y HA 0.337 4.887 4.550 -0.000 0.000 0.343 1412 Y C 0.786 176.645 175.900 -0.067 0.000 1.008 1412 Y CA 0.280 58.351 58.100 -0.050 0.000 1.241 1412 Y CB 0.914 39.349 38.460 -0.043 0.000 1.153 1412 Y HN 0.765 nan 8.280 nan 0.000 0.521 1413 T N 1.801 116.051 114.554 -0.506 0.000 3.331 1413 T HA 0.465 4.814 4.350 -0.000 0.000 0.282 1413 T C 0.371 174.694 174.700 -0.629 0.000 1.010 1413 T CA -0.151 61.664 62.100 -0.475 0.000 0.928 1413 T CB -0.197 68.513 68.868 -0.263 0.000 1.154 1413 T HN 0.704 nan 8.240 nan 0.000 0.516 1414 G N 0.127 108.217 108.800 -1.183 0.000 2.705 1414 G HA2 0.569 4.529 3.960 -0.000 0.000 0.299 1414 G HA3 0.569 4.529 3.960 -0.000 0.000 0.299 1414 G C -0.991 173.623 174.900 -0.477 0.000 1.315 1414 G CA -1.180 43.462 45.100 -0.763 0.000 1.045 1414 G HN 0.334 nan 8.290 nan 0.000 0.517 1415 Y N 0.251 120.493 120.300 -0.097 0.000 2.903 1415 Y HA 0.098 4.648 4.550 -0.000 0.000 0.338 1415 Y C 1.209 177.202 175.900 0.155 0.000 1.265 1415 Y CA 0.615 58.733 58.100 0.029 0.000 1.532 1415 Y CB 0.370 38.866 38.460 0.060 0.000 1.293 1415 Y HN 0.406 nan 8.280 nan 0.000 0.609 1416 E N 1.915 122.284 120.200 0.282 0.000 2.342 1416 E HA 0.141 4.491 4.350 -0.000 0.000 0.257 1416 E C -0.249 176.463 176.600 0.187 0.000 1.150 1416 E CA -0.924 55.611 56.400 0.225 0.000 0.926 1416 E CB 0.369 30.151 29.700 0.138 0.000 1.074 1416 E HN 0.218 nan 8.360 nan 0.000 0.449 1417 K N 1.971 122.444 120.400 0.121 0.000 2.550 1417 K HA -0.091 4.229 4.320 -0.000 0.000 0.280 1417 K C -0.729 175.914 176.600 0.072 0.000 0.987 1417 K CA 0.543 56.879 56.287 0.081 0.000 1.048 1417 K CB 0.095 32.623 32.500 0.048 0.000 0.879 1417 K HN 0.660 nan 8.250 nan 0.000 0.491 1418 R N 2.108 122.639 120.500 0.053 0.000 2.515 1418 R HA 0.283 4.623 4.340 -0.000 0.000 0.278 1418 R C -1.154 175.170 176.300 0.040 0.000 1.107 1418 R CA -0.906 55.213 56.100 0.032 0.000 0.945 1418 R CB 0.500 30.797 30.300 -0.006 0.000 1.219 1418 R HN 0.383 nan 8.270 nan 0.000 0.434 1419 D N 1.993 122.417 120.400 0.039 0.000 2.474 1419 D HA -0.072 4.568 4.640 -0.000 0.000 0.232 1419 D C -0.977 175.383 176.300 0.100 0.000 1.177 1419 D CA 0.766 54.802 54.000 0.061 0.000 0.876 1419 D CB 0.474 41.291 40.800 0.029 0.000 1.208 1419 D HN 0.421 nan 8.370 nan 0.000 0.464 1420 F N 1.152 121.083 119.950 -0.033 0.000 2.402 1420 F HA 0.395 4.922 4.527 -0.000 0.000 0.355 1420 F C -0.520 175.263 175.800 -0.029 0.000 1.123 1420 F CA -1.071 56.906 58.000 -0.037 0.000 1.021 1420 F CB 1.014 39.994 39.000 -0.032 0.000 1.160 1420 F HN -0.009 nan 8.300 nan 0.000 0.451 1421 K N 4.540 124.522 120.400 -0.697 0.000 2.502 1421 K HA 0.440 4.760 4.320 -0.000 0.000 0.254 1421 K C -1.561 174.600 176.600 -0.731 0.000 0.947 1421 K CA -0.450 55.483 56.287 -0.590 0.000 0.834 1421 K CB 1.739 34.075 32.500 -0.274 0.000 1.112 1421 K HN 0.472 nan 8.250 nan 0.000 0.427 1422 S N 3.226 118.524 115.700 -0.671 0.000 2.498 1422 S HA 0.354 4.824 4.470 -0.000 0.000 0.317 1422 S C -0.577 173.909 174.600 -0.190 0.000 1.090 1422 S CA -0.586 57.367 58.200 -0.412 0.000 1.089 1422 S CB 0.919 63.928 63.200 -0.317 0.000 0.997 1422 S HN 0.640 nan 8.310 nan 0.000 0.470 1423 D N 3.123 123.445 120.400 -0.131 0.000 2.389 1423 D HA 0.210 4.850 4.640 -0.000 0.000 0.206 1423 D C 1.113 177.386 176.300 -0.046 0.000 1.055 1423 D CA 0.036 53.989 54.000 -0.078 0.000 0.856 1423 D CB 0.107 40.865 40.800 -0.070 0.000 0.957 1423 D HN 0.752 nan 8.370 nan 0.000 0.509 1424 I N -2.113 118.435 120.570 -0.037 0.000 3.433 1424 I HA 0.219 4.389 4.170 -0.000 0.000 0.265 1424 I C 0.372 176.488 176.117 -0.003 0.000 1.186 1424 I CA -0.346 60.945 61.300 -0.014 0.000 1.008 1424 I CB 0.688 38.686 38.000 -0.003 0.000 1.552 1424 I HN -0.358 nan 8.210 nan 0.000 0.790 1425 K N 0.718 121.120 120.400 0.004 0.000 2.263 1425 K HA 0.564 4.884 4.320 -0.000 0.000 0.249 1425 K C -0.779 175.828 176.600 0.013 0.000 1.076 1425 K CA -0.927 55.364 56.287 0.008 0.000 0.884 1425 K CB 1.770 34.272 32.500 0.004 0.000 1.394 1425 K HN 0.854 nan 8.250 nan 0.000 0.476 1426 R N 0.000 120.508 120.500 0.013 0.000 2.786 1426 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 1426 R CA 0.000 56.108 56.100 0.013 0.000 0.921 1426 R CB 0.000 30.307 30.300 0.012 0.000 0.687 1426 R HN 0.000 nan 8.270 nan 0.000 0.535