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 1ya6_1_A DATA FIRST_RESID 1000 DATA SEQUENCE SMRICIFMAR GLEGCGVTKF SLEQRDWFIK NGHEVTLVYA KDKSFTRTSS DATA SEQUENCE HDHKSFSIPV ILAKEYDKAL KLVNDCDILI INSVPATSVQ EATINNYKKL DATA SEQUENCE LDNIKPSIRV VVYQHDHSVL SLRRNLGLEE TVRRADVIFS HSDNGDFNXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXP TVYNFQPPMD IVKVRSTYWK DVSEINMNIN DATA SEQUENCE RWIGRTTTWK GFYQMFDFHE KFLKPAGKST VMEGLERSPA FIAIKEKGIP DATA SEQUENCE YEYYGNREID KMNLAPNQPA QILDCYINSE MLERMSKSGF GYQLSKLNQK DATA SEQUENCE YLQRSLEYTH LELGACGTIP VFWKSTGENL KFRVDNTPLT SHDSGIIWFD DATA SEQUENCE ENDMESTFER IKELSSDRAL YDREREKAYE FLYQHQDSSF CFKEQFDIIT DATA SEQUENCE K 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 1000 S HA 0.000 nan 4.470 nan 0.000 0.327 1000 S C 0.000 174.700 174.600 0.167 0.000 1.055 1000 S CA 0.000 58.158 58.200 -0.070 0.000 1.107 1000 S CB 0.000 63.129 63.200 -0.118 0.000 0.593 1001 M N 2.207 122.047 119.600 0.400 0.000 2.721 1001 M HA 0.500 4.980 4.480 0.000 0.000 0.271 1001 M C -1.148 175.255 176.300 0.172 0.000 1.259 1001 M CA -0.755 54.705 55.300 0.266 0.000 0.835 1001 M CB 2.554 35.289 32.600 0.224 0.000 1.689 1001 M HN 0.609 nan 8.290 nan 0.000 0.470 1002 R N 1.444 121.965 120.500 0.034 0.000 2.312 1002 R HA 0.707 5.047 4.340 0.000 0.000 0.311 1002 R C -1.041 175.184 176.300 -0.124 0.000 1.004 1002 R CA -0.490 55.590 56.100 -0.034 0.000 0.902 1002 R CB 1.121 31.402 30.300 -0.031 0.000 1.073 1002 R HN 0.425 nan 8.270 nan 0.000 0.457 1003 I N 2.026 122.471 120.570 -0.208 0.000 2.509 1003 I HA 0.259 4.429 4.170 0.000 0.000 0.293 1003 I C -0.316 175.684 176.117 -0.195 0.000 1.020 1003 I CA -0.943 60.169 61.300 -0.314 0.000 1.088 1003 I CB 1.707 39.273 38.000 -0.723 0.000 1.267 1003 I HN 0.667 nan 8.210 nan 0.000 0.430 1004 C N 7.806 127.030 119.300 -0.126 0.000 2.301 1004 C HA 0.614 5.074 4.460 0.000 0.000 0.323 1004 C C 0.023 175.018 174.990 0.009 0.000 1.265 1004 C CA -0.419 58.563 59.018 -0.060 0.000 1.503 1004 C CB -0.541 27.162 27.740 -0.062 0.000 2.195 1004 C HN 0.649 nan 8.230 nan 0.000 0.477 1005 I N 6.534 127.132 120.570 0.047 0.000 2.304 1005 I HA 0.308 4.478 4.170 0.000 0.000 0.291 1005 I C -0.211 176.053 176.117 0.245 0.000 1.018 1005 I CA -0.011 61.367 61.300 0.130 0.000 1.260 1005 I CB 0.664 38.718 38.000 0.089 0.000 1.390 1005 I HN 0.624 nan 8.210 nan 0.000 0.475 1006 F N 7.434 127.435 119.950 0.084 0.000 2.426 1006 F HA 0.521 5.048 4.527 -0.000 0.000 0.348 1006 F C -0.212 175.647 175.800 0.098 0.000 1.124 1006 F CA -1.010 57.048 58.000 0.096 0.000 1.008 1006 F CB 1.231 40.294 39.000 0.105 0.000 1.139 1006 F HN 0.359 nan 8.300 nan 0.000 0.452 1007 M N 6.777 126.503 119.600 0.210 0.000 2.480 1007 M HA 0.243 4.723 4.480 0.000 0.000 0.320 1007 M C 0.745 176.887 176.300 -0.263 0.000 1.141 1007 M CA -0.326 54.928 55.300 -0.077 0.000 1.102 1007 M CB 1.342 33.935 32.600 -0.012 0.000 1.249 1007 M HN 0.774 nan 8.290 nan 0.000 0.446 1008 A N 1.348 123.710 122.820 -0.763 0.000 2.259 1008 A HA -0.100 4.220 4.320 0.000 0.000 0.212 1008 A C 2.069 179.440 177.584 -0.355 0.000 1.178 1008 A CA 1.319 52.896 52.037 -0.767 0.000 0.734 1008 A CB -0.464 17.869 19.000 -1.112 0.000 0.774 1008 A HN 0.801 nan 8.150 nan 0.000 0.481 1009 R N -1.264 119.109 120.500 -0.212 0.000 2.206 1009 R HA 0.349 4.689 4.340 0.000 0.000 0.198 1009 R C 0.872 177.237 176.300 0.109 0.000 0.986 1009 R CA 0.929 56.991 56.100 -0.063 0.000 1.029 1009 R CB 0.199 30.454 30.300 -0.075 0.000 0.966 1009 R HN 0.651 nan 8.270 nan 0.000 0.487 1010 G N 0.282 109.121 108.800 0.066 0.000 2.353 1010 G HA2 -0.102 3.858 3.960 0.000 0.000 0.615 1010 G HA3 -0.102 3.858 3.960 0.000 0.000 0.615 1010 G C -1.692 173.134 174.900 -0.123 0.000 1.280 1010 G CA -0.612 44.612 45.100 0.207 0.000 1.000 1010 G HN 0.123 nan 8.290 nan 0.000 0.516 1011 L N 0.988 122.083 121.223 -0.214 0.000 2.287 1011 L HA 0.524 4.864 4.340 0.000 0.000 0.280 1011 L C 1.490 178.011 176.870 -0.582 0.000 1.055 1011 L CA -0.449 54.090 54.840 -0.502 0.000 0.863 1011 L CB 0.684 42.253 42.059 -0.816 0.000 1.245 1011 L HN 0.786 nan 8.230 nan 0.000 0.432 1012 E N 2.326 122.033 120.200 -0.821 0.000 2.358 1012 E HA 0.110 4.460 4.350 0.000 0.000 0.195 1012 E C 1.268 177.665 176.600 -0.339 0.000 1.010 1012 E CA 0.638 56.500 56.400 -0.896 0.000 0.856 1012 E CB -0.011 29.172 29.700 -0.862 0.000 0.795 1012 E HN 0.715 nan 8.360 nan 0.000 0.504 1013 G N -0.830 107.813 108.800 -0.262 0.000 2.137 1013 G HA2 -0.306 3.654 3.960 0.000 0.000 0.237 1013 G HA3 -0.306 3.654 3.960 0.000 0.000 0.237 1013 G C 0.436 175.344 174.900 0.014 0.000 1.002 1013 G CA 0.297 45.359 45.100 -0.063 0.000 0.702 1013 G HN 0.390 nan 8.290 nan 0.000 0.515 1014 C N -1.654 117.590 119.300 -0.094 0.000 3.933 1014 C HA 0.809 5.269 4.460 0.000 0.000 0.208 1014 C C 2.679 177.630 174.990 -0.064 0.000 3.191 1014 C CA 0.664 59.667 59.018 -0.026 0.000 1.883 1014 C CB 0.353 28.068 27.740 -0.042 0.000 3.793 1014 C HN 0.653 nan 8.230 nan 0.000 0.469 1015 G N 0.272 109.091 108.800 0.032 0.000 2.422 1015 G HA2 -0.075 3.885 3.960 0.000 0.000 0.218 1015 G HA3 -0.075 3.885 3.960 0.000 0.000 0.218 1015 G C 1.317 176.256 174.900 0.065 0.000 1.140 1015 G CA 1.495 46.704 45.100 0.180 0.000 0.775 1015 G HN 0.454 nan 8.290 nan 0.000 0.545 1016 V N 0.676 120.518 119.914 -0.120 0.000 2.453 1016 V HA -0.111 4.009 4.120 0.000 0.000 0.247 1016 V C 3.045 179.005 176.094 -0.224 0.000 1.048 1016 V CA 2.150 64.280 62.300 -0.284 0.000 1.049 1016 V CB -0.753 30.862 31.823 -0.346 0.000 0.672 1016 V HN 0.329 nan 8.190 nan 0.000 0.457 1017 T N -0.148 114.236 114.554 -0.282 0.000 2.737 1017 T HA -0.183 4.167 4.350 0.000 0.000 0.265 1017 T C 1.978 176.430 174.700 -0.414 0.000 1.038 1017 T CA 1.806 63.697 62.100 -0.348 0.000 1.144 1017 T CB -0.165 68.457 68.868 -0.409 0.000 0.866 1017 T HN 0.338 nan 8.240 nan 0.000 0.434 1018 K N 1.351 121.408 120.400 -0.571 0.000 1.991 1018 K HA -0.102 4.218 4.320 0.000 0.000 0.212 1018 K C 1.854 178.167 176.600 -0.478 0.000 1.049 1018 K CA 1.541 57.394 56.287 -0.723 0.000 0.932 1018 K CB -1.039 30.924 32.500 -0.894 0.000 0.717 1018 K HN 0.278 nan 8.250 nan 0.000 0.441 1019 F N 1.139 120.852 119.950 -0.396 0.000 2.085 1019 F HA -0.309 4.218 4.527 -0.000 0.000 0.299 1019 F C 2.116 177.876 175.800 -0.066 0.000 1.096 1019 F CA 2.326 60.310 58.000 -0.027 0.000 1.227 1019 F CB -0.861 38.204 39.000 0.109 0.000 0.983 1019 F HN 0.095 nan 8.300 nan 0.000 0.482 1020 S N 0.717 116.357 115.700 -0.100 0.000 2.370 1020 S HA -0.186 4.284 4.470 0.000 0.000 0.226 1020 S C 2.077 176.570 174.600 -0.179 0.000 1.033 1020 S CA 1.615 59.726 58.200 -0.148 0.000 1.011 1020 S CB -0.524 62.636 63.200 -0.067 0.000 0.852 1020 S HN 0.415 nan 8.310 nan 0.000 0.457 1021 L N 1.099 122.224 121.223 -0.165 0.000 2.027 1021 L HA -0.062 4.278 4.340 0.000 0.000 0.206 1021 L C 2.583 179.372 176.870 -0.135 0.000 1.074 1021 L CA 1.044 55.837 54.840 -0.078 0.000 0.745 1021 L CB -0.535 41.501 42.059 -0.038 0.000 0.898 1021 L HN 0.223 nan 8.230 nan 0.000 0.433 1022 E N -0.062 120.024 120.200 -0.191 0.000 2.204 1022 E HA -0.260 4.090 4.350 0.000 0.000 0.194 1022 E C 2.019 178.394 176.600 -0.376 0.000 0.989 1022 E CA 0.968 57.279 56.400 -0.148 0.000 0.824 1022 E CB -0.020 29.678 29.700 -0.003 0.000 0.756 1022 E HN 0.546 nan 8.360 nan 0.000 0.477 1023 Q N 0.768 120.235 119.800 -0.554 0.000 2.083 1023 Q HA -0.117 4.223 4.340 0.000 0.000 0.198 1023 Q C 2.310 178.113 176.000 -0.328 0.000 0.969 1023 Q CA 1.042 56.330 55.803 -0.859 0.000 0.838 1023 Q CB 0.077 28.400 28.738 -0.692 0.000 0.900 1023 Q HN 0.072 nan 8.270 nan 0.000 0.436 1024 R N 0.265 120.669 120.500 -0.161 0.000 2.073 1024 R HA -0.168 4.172 4.340 0.000 0.000 0.234 1024 R C 1.545 177.799 176.300 -0.076 0.000 1.134 1024 R CA 1.982 58.049 56.100 -0.055 0.000 0.952 1024 R CB -0.189 30.030 30.300 -0.135 0.000 0.850 1024 R HN 0.312 nan 8.270 nan 0.000 0.433 1025 D N -0.314 120.008 120.400 -0.130 0.000 2.133 1025 D HA -0.237 4.403 4.640 0.000 0.000 0.195 1025 D C 1.482 177.726 176.300 -0.093 0.000 0.997 1025 D CA 1.382 55.320 54.000 -0.104 0.000 0.840 1025 D CB -0.448 40.312 40.800 -0.067 0.000 0.947 1025 D HN 0.413 nan 8.370 nan 0.000 0.452 1026 W N 0.586 121.667 121.300 -0.366 0.000 2.355 1026 W HA -0.147 4.513 4.660 -0.000 0.000 0.309 1026 W C 2.179 178.510 176.519 -0.313 0.000 1.206 1026 W CA 1.175 58.265 57.345 -0.424 0.000 1.284 1026 W CB -0.679 28.292 29.460 -0.814 0.000 1.145 1026 W HN -0.138 nan 8.180 nan 0.000 0.502 1027 F N 0.231 120.165 119.950 -0.027 0.000 2.134 1027 F HA -0.222 4.306 4.527 0.000 0.000 0.299 1027 F C 2.305 178.036 175.800 -0.114 0.000 1.097 1027 F CA 1.699 59.666 58.000 -0.055 0.000 1.264 1027 F CB -0.678 38.336 39.000 0.024 0.000 1.001 1027 F HN -0.201 nan 8.300 nan 0.000 0.479 1028 I N 0.086 120.689 120.570 0.055 0.000 2.179 1028 I HA -0.329 3.841 4.170 0.000 0.000 0.242 1028 I C 2.391 178.425 176.117 -0.139 0.000 1.088 1028 I CA 1.491 62.767 61.300 -0.041 0.000 1.357 1028 I CB -0.493 37.458 38.000 -0.083 0.000 1.051 1028 I HN 0.052 nan 8.210 nan 0.000 0.409 1029 K N 1.154 121.426 120.400 -0.214 0.000 2.281 1029 K HA -0.164 4.156 4.320 0.000 0.000 0.203 1029 K C 0.824 177.207 176.600 -0.362 0.000 1.046 1029 K CA 1.485 57.611 56.287 -0.269 0.000 0.938 1029 K CB -0.013 32.315 32.500 -0.287 0.000 0.737 1029 K HN 0.252 nan 8.250 nan 0.000 0.458 1030 N N -0.162 118.256 118.700 -0.470 0.000 2.279 1030 N HA 0.170 4.910 4.740 0.000 0.000 0.226 1030 N C -0.953 174.337 175.510 -0.367 0.000 1.126 1030 N CA 0.585 53.334 53.050 -0.502 0.000 0.846 1030 N CB 1.449 39.418 38.487 -0.864 0.000 1.050 1030 N HN 0.293 nan 8.380 nan 0.000 0.502 1031 G N 1.451 110.084 108.800 -0.279 0.000 2.415 1031 G HA2 -0.227 3.733 3.960 0.000 0.000 0.283 1031 G HA3 -0.227 3.733 3.960 0.000 0.000 0.283 1031 G C -0.841 173.811 174.900 -0.415 0.000 1.014 1031 G CA -0.055 44.872 45.100 -0.287 0.000 1.323 1031 G HN 0.442 nan 8.290 nan 0.000 0.502 1032 H N -0.199 118.842 119.070 -0.048 0.000 3.016 1032 H HA 0.380 4.936 4.556 0.000 0.000 0.362 1032 H C -0.334 174.972 175.328 -0.036 0.000 1.233 1032 H CA -0.730 55.317 56.048 -0.002 0.000 1.124 1032 H CB 1.744 31.570 29.762 0.107 0.000 1.850 1032 H HN 0.476 nan 8.280 nan 0.000 0.549 1033 E N 1.458 121.718 120.200 0.099 0.000 2.174 1033 E HA 0.433 4.783 4.350 0.000 0.000 0.282 1033 E C -0.783 175.791 176.600 -0.043 0.000 0.992 1033 E CA -0.677 55.728 56.400 0.008 0.000 0.803 1033 E CB 2.155 31.852 29.700 -0.005 0.000 1.090 1033 E HN 0.086 nan 8.360 nan 0.000 0.396 1034 V N 2.525 122.402 119.914 -0.061 0.000 2.588 1034 V HA 0.352 4.472 4.120 0.000 0.000 0.304 1034 V C -0.109 175.946 176.094 -0.066 0.000 1.042 1034 V CA -0.798 61.444 62.300 -0.096 0.000 0.877 1034 V CB 2.018 33.785 31.823 -0.093 0.000 0.996 1034 V HN 0.818 nan 8.190 nan 0.000 0.425 1035 T N 2.628 117.153 114.554 -0.048 0.000 2.807 1035 T HA 0.727 5.077 4.350 0.000 0.000 0.279 1035 T C -0.988 173.737 174.700 0.042 0.000 0.993 1035 T CA -0.635 61.466 62.100 0.002 0.000 0.970 1035 T CB 1.577 70.437 68.868 -0.012 0.000 0.950 1035 T HN 0.429 nan 8.240 nan 0.000 0.441 1036 L N 4.457 125.757 121.223 0.128 0.000 2.265 1036 L HA 0.735 5.075 4.340 0.000 0.000 0.289 1036 L C -1.074 175.928 176.870 0.221 0.000 1.033 1036 L CA -0.586 54.368 54.840 0.190 0.000 0.814 1036 L CB 0.963 43.205 42.059 0.304 0.000 1.203 1036 L HN 0.684 nan 8.230 nan 0.000 0.423 1037 V N 6.361 126.402 119.914 0.211 0.000 2.604 1037 V HA 0.582 4.702 4.120 0.000 0.000 0.305 1037 V C -0.917 175.433 176.094 0.427 0.000 1.043 1037 V CA -0.572 61.853 62.300 0.208 0.000 0.888 1037 V CB 1.532 33.340 31.823 -0.025 0.000 0.995 1037 V HN 0.732 nan 8.190 nan 0.000 0.429 1038 Y N 1.922 122.340 120.300 0.196 0.000 2.562 1038 Y HA 0.892 5.442 4.550 0.000 0.000 0.345 1038 Y C -0.208 175.829 175.900 0.228 0.000 1.045 1038 Y CA -1.625 56.604 58.100 0.215 0.000 1.028 1038 Y CB 1.501 39.993 38.460 0.052 0.000 1.297 1038 Y HN 0.717 nan 8.280 nan 0.000 0.463 1039 A N 3.283 126.273 122.820 0.284 0.000 2.347 1039 A HA 0.306 4.626 4.320 0.000 0.000 0.287 1039 A C 0.782 178.438 177.584 0.120 0.000 1.199 1039 A CA -0.649 51.483 52.037 0.157 0.000 0.851 1039 A CB 0.329 19.422 19.000 0.155 0.000 1.118 1039 A HN 0.911 nan 8.150 nan 0.000 0.525 1040 K N 1.841 122.228 120.400 -0.022 0.000 2.487 1040 K HA -0.047 4.273 4.320 0.000 0.000 0.192 1040 K C 0.180 176.830 176.600 0.084 0.000 1.027 1040 K CA 0.662 56.976 56.287 0.045 0.000 1.054 1040 K CB 0.019 32.478 32.500 -0.068 0.000 0.824 1040 K HN 0.784 nan 8.250 nan 0.000 0.510 1041 D N 1.329 121.774 120.400 0.075 0.000 2.126 1041 D HA -0.201 4.439 4.640 0.000 0.000 0.190 1041 D C 0.588 176.913 176.300 0.042 0.000 1.001 1041 D CA 1.503 55.536 54.000 0.056 0.000 0.841 1041 D CB 0.100 40.935 40.800 0.057 0.000 0.949 1041 D HN 0.128 nan 8.370 nan 0.000 0.446 1042 K N 0.291 120.727 120.400 0.060 0.000 2.130 1042 K HA 0.377 4.697 4.320 0.000 0.000 0.268 1042 K C -0.765 175.822 176.600 -0.022 0.000 0.983 1042 K CA -0.514 55.749 56.287 -0.040 0.000 0.893 1042 K CB 1.180 33.619 32.500 -0.101 0.000 1.066 1042 K HN 0.098 nan 8.250 nan 0.000 0.450 1043 S N 2.263 117.856 115.700 -0.177 0.000 2.549 1043 S HA 0.629 5.099 4.470 0.000 0.000 0.297 1043 S C -0.599 173.785 174.600 -0.361 0.000 1.115 1043 S CA -0.793 57.363 58.200 -0.072 0.000 1.059 1043 S CB 0.692 63.881 63.200 -0.018 0.000 1.046 1043 S HN 0.400 nan 8.310 nan 0.000 0.506 1044 F N -0.378 119.582 119.950 0.016 0.000 2.740 1044 F HA 0.577 5.104 4.527 0.000 0.000 0.357 1044 F C 1.698 177.495 175.800 -0.006 0.000 1.141 1044 F CA -1.072 56.927 58.000 -0.002 0.000 1.044 1044 F CB 0.906 39.895 39.000 -0.017 0.000 1.430 1044 F HN 0.592 nan 8.300 nan 0.000 0.518 1045 T N -0.951 113.722 114.554 0.198 0.000 2.988 1045 T HA 0.055 4.405 4.350 0.000 0.000 0.240 1045 T C 1.397 176.131 174.700 0.058 0.000 1.014 1045 T CA 0.599 62.752 62.100 0.087 0.000 1.155 1045 T CB -0.104 68.792 68.868 0.047 0.000 0.872 1045 T HN 0.284 nan 8.240 nan 0.000 0.440 1046 R N 1.855 122.380 120.500 0.041 0.000 2.526 1046 R HA 0.115 4.455 4.340 0.000 0.000 0.223 1046 R C 2.013 178.318 176.300 0.008 0.000 1.250 1046 R CA 0.127 56.215 56.100 -0.019 0.000 1.227 1046 R CB -0.475 29.782 30.300 -0.071 0.000 1.109 1046 R HN 0.217 nan 8.270 nan 0.000 0.499 1047 T N -0.298 114.286 114.554 0.051 0.000 2.778 1047 T HA -0.144 4.206 4.350 0.000 0.000 0.269 1047 T C 1.409 176.173 174.700 0.107 0.000 1.050 1047 T CA 1.763 63.911 62.100 0.081 0.000 1.137 1047 T CB 0.028 68.962 68.868 0.110 0.000 0.860 1047 T HN 0.234 nan 8.240 nan 0.000 0.468 1048 S N 0.344 116.064 115.700 0.033 0.000 2.597 1048 S HA 0.227 4.697 4.470 0.000 0.000 0.224 1048 S C 1.912 176.483 174.600 -0.049 0.000 0.955 1048 S CA -0.177 58.015 58.200 -0.013 0.000 0.933 1048 S CB 0.251 63.434 63.200 -0.028 0.000 0.788 1048 S HN 0.377 nan 8.310 nan 0.000 0.488 1049 S N 1.117 116.774 115.700 -0.072 0.000 2.428 1049 S HA 0.058 4.528 4.470 0.000 0.000 0.230 1049 S C 0.247 174.616 174.600 -0.384 0.000 1.014 1049 S CA 0.926 58.983 58.200 -0.238 0.000 0.957 1049 S CB 0.020 63.019 63.200 -0.337 0.000 0.784 1049 S HN 0.612 nan 8.310 nan 0.000 0.499 1050 H N -0.035 119.029 119.070 -0.010 0.000 2.679 1050 H HA 0.459 5.015 4.556 -0.000 0.000 0.367 1050 H C -1.078 174.259 175.328 0.014 0.000 1.162 1050 H CA -1.004 55.052 56.048 0.013 0.000 1.181 1050 H CB 0.818 30.582 29.762 0.003 0.000 1.693 1050 H HN -0.112 nan 8.280 nan 0.000 0.538 1051 D N 0.604 121.071 120.400 0.112 0.000 2.316 1051 D HA 0.110 4.750 4.640 0.000 0.000 0.245 1051 D C 0.270 176.530 176.300 -0.068 0.000 1.171 1051 D CA 0.191 54.178 54.000 -0.021 0.000 0.856 1051 D CB 0.223 41.042 40.800 0.032 0.000 1.090 1051 D HN 0.854 nan 8.370 nan 0.000 0.476 1052 H N 0.997 119.874 119.070 -0.323 0.000 3.840 1052 H HA 0.225 4.781 4.556 -0.000 0.000 0.253 1052 H C 1.145 175.956 175.328 -0.863 0.000 1.059 1052 H CA -0.174 55.365 56.048 -0.849 0.000 1.141 1052 H CB -0.071 29.368 29.762 -0.538 0.000 1.385 1052 H HN 0.117 nan 8.280 nan 0.000 0.744 1053 K N 1.314 121.110 120.400 -1.006 0.000 2.107 1053 K HA -0.201 4.119 4.320 0.000 0.000 0.211 1053 K C 1.844 178.289 176.600 -0.257 0.000 1.049 1053 K CA 2.299 58.281 56.287 -0.508 0.000 0.927 1053 K CB -0.227 32.025 32.500 -0.414 0.000 0.714 1053 K HN 0.493 nan 8.250 nan 0.000 0.452 1054 S N 0.310 115.856 115.700 -0.256 0.000 2.547 1054 S HA -0.096 4.374 4.470 0.000 0.000 0.235 1054 S C 1.440 176.080 174.600 0.065 0.000 0.980 1054 S CA 0.733 58.894 58.200 -0.064 0.000 0.941 1054 S CB -0.519 62.687 63.200 0.009 0.000 0.763 1054 S HN 0.528 nan 8.310 nan 0.000 0.532 1055 F N 0.377 120.370 119.950 0.072 0.000 2.925 1055 F HA 0.477 5.004 4.527 -0.000 0.000 0.359 1055 F C 0.302 176.172 175.800 0.117 0.000 1.038 1055 F CA -0.543 57.504 58.000 0.077 0.000 1.130 1055 F CB -0.178 38.855 39.000 0.055 0.000 1.093 1055 F HN 0.168 nan 8.300 nan 0.000 0.561 1056 S N 2.155 117.924 115.700 0.115 0.000 2.580 1056 S HA 0.573 5.043 4.470 0.000 0.000 0.274 1056 S C -0.462 174.319 174.600 0.301 0.000 1.329 1056 S CA -0.414 57.963 58.200 0.295 0.000 1.036 1056 S CB 1.234 64.584 63.200 0.251 0.000 0.919 1056 S HN 0.292 nan 8.310 nan 0.000 0.515 1057 I N 4.034 124.766 120.570 0.271 0.000 2.354 1057 I HA 0.366 4.536 4.170 0.000 0.000 0.286 1057 I C -2.202 173.838 176.117 -0.128 0.000 1.007 1057 I CA -2.418 58.937 61.300 0.091 0.000 1.167 1057 I CB 1.882 39.909 38.000 0.045 0.000 1.320 1057 I HN 0.505 nan 8.210 nan 0.000 0.458 1058 P HA 0.332 nan 4.420 nan 0.000 0.279 1058 P C -0.983 176.112 177.300 -0.342 0.000 1.252 1058 P CA -0.462 62.175 63.100 -0.771 0.000 0.811 1058 P CB 2.785 34.096 31.700 -0.648 0.000 1.035 1059 V N 2.451 122.192 119.914 -0.288 0.000 2.924 1059 V HA 0.345 4.465 4.120 0.000 0.000 0.300 1059 V C -1.087 174.976 176.094 -0.053 0.000 1.227 1059 V CA -0.783 61.445 62.300 -0.120 0.000 0.954 1059 V CB 1.944 33.714 31.823 -0.087 0.000 1.055 1059 V HN 0.308 nan 8.190 nan 0.000 0.429 1060 I N 7.387 127.949 120.570 -0.014 0.000 2.287 1060 I HA 0.262 4.432 4.170 0.000 0.000 0.290 1060 I C 1.229 177.383 176.117 0.063 0.000 1.069 1060 I CA -0.196 61.119 61.300 0.025 0.000 1.237 1060 I CB 1.375 39.388 38.000 0.021 0.000 1.418 1060 I HN 0.631 nan 8.210 nan 0.000 0.481 1061 L N 4.902 126.185 121.223 0.099 0.000 2.079 1061 L HA -0.219 4.121 4.340 0.000 0.000 0.210 1061 L C 2.584 179.544 176.870 0.150 0.000 1.081 1061 L CA 1.531 56.460 54.840 0.149 0.000 0.752 1061 L CB -0.392 41.786 42.059 0.198 0.000 0.896 1061 L HN 0.769 nan 8.230 nan 0.000 0.433 1062 A N -1.142 121.745 122.820 0.111 0.000 2.172 1062 A HA -0.097 4.223 4.320 0.000 0.000 0.216 1062 A C 2.069 179.702 177.584 0.083 0.000 1.154 1062 A CA 1.236 53.330 52.037 0.095 0.000 0.701 1062 A CB -0.040 19.001 19.000 0.068 0.000 0.789 1062 A HN 0.261 nan 8.150 nan 0.000 0.465 1063 K N -1.122 119.327 120.400 0.081 0.000 2.529 1063 K HA 0.122 4.442 4.320 0.000 0.000 0.215 1063 K C -0.175 176.469 176.600 0.074 0.000 1.286 1063 K CA 0.310 56.636 56.287 0.065 0.000 0.997 1063 K CB 0.833 33.358 32.500 0.043 0.000 1.063 1063 K HN 0.597 nan 8.250 nan 0.000 0.590 1064 E N 0.352 120.602 120.200 0.084 0.000 2.989 1064 E HA 0.068 4.418 4.350 0.000 0.000 0.207 1064 E C 0.309 176.967 176.600 0.098 0.000 0.989 1064 E CA -0.232 56.211 56.400 0.072 0.000 1.186 1064 E CB 0.173 29.888 29.700 0.026 0.000 1.141 1064 E HN 0.096 nan 8.360 nan 0.000 0.454 1065 Y N 2.120 122.432 120.300 0.021 0.000 2.096 1065 Y HA -0.357 4.193 4.550 0.000 0.000 0.278 1065 Y C 1.216 177.118 175.900 0.004 0.000 1.192 1065 Y CA 2.457 60.571 58.100 0.024 0.000 1.143 1065 Y CB 0.021 38.496 38.460 0.026 0.000 0.963 1065 Y HN 0.097 nan 8.280 nan 0.000 0.505 1066 D N -0.478 120.044 120.400 0.204 0.000 2.144 1066 D HA -0.162 4.478 4.640 0.000 0.000 0.200 1066 D C 2.154 178.425 176.300 -0.048 0.000 0.978 1066 D CA 1.533 55.581 54.000 0.080 0.000 0.833 1066 D CB -0.192 40.685 40.800 0.128 0.000 0.961 1066 D HN 0.382 nan 8.370 nan 0.000 0.470 1067 K N 0.649 121.028 120.400 -0.036 0.000 2.057 1067 K HA -0.113 4.207 4.320 0.000 0.000 0.207 1067 K C 2.024 178.549 176.600 -0.125 0.000 1.049 1067 K CA 1.237 57.486 56.287 -0.062 0.000 0.931 1067 K CB -0.066 32.410 32.500 -0.041 0.000 0.714 1067 K HN 0.093 nan 8.250 nan 0.000 0.440 1068 A N 1.389 124.113 122.820 -0.161 0.000 1.902 1068 A HA -0.147 4.173 4.320 0.000 0.000 0.217 1068 A C 2.063 179.461 177.584 -0.310 0.000 1.181 1068 A CA 1.308 53.201 52.037 -0.241 0.000 0.623 1068 A CB -0.653 18.227 19.000 -0.201 0.000 0.818 1068 A HN 0.387 nan 8.150 nan 0.000 0.443 1069 L N 0.108 121.109 121.223 -0.369 0.000 2.012 1069 L HA -0.175 4.165 4.340 0.000 0.000 0.210 1069 L C 2.352 179.101 176.870 -0.201 0.000 1.073 1069 L CA 2.682 57.317 54.840 -0.343 0.000 0.748 1069 L CB -0.559 41.276 42.059 -0.374 0.000 0.891 1069 L HN 0.474 nan 8.230 nan 0.000 0.431 1070 K N -0.766 119.544 120.400 -0.151 0.000 2.063 1070 K HA -0.203 4.117 4.320 0.000 0.000 0.208 1070 K C 2.138 178.665 176.600 -0.120 0.000 1.048 1070 K CA 1.900 58.125 56.287 -0.104 0.000 0.928 1070 K CB -0.252 32.204 32.500 -0.073 0.000 0.713 1070 K HN 0.381 nan 8.250 nan 0.000 0.442 1071 L N 0.667 121.797 121.223 -0.156 0.000 1.976 1071 L HA -0.194 4.146 4.340 0.000 0.000 0.209 1071 L C 2.436 179.189 176.870 -0.195 0.000 1.071 1071 L CA 1.518 56.255 54.840 -0.172 0.000 0.746 1071 L CB -0.605 41.326 42.059 -0.213 0.000 0.890 1071 L HN 0.181 nan 8.230 nan 0.000 0.432 1072 V N -3.437 116.317 119.914 -0.267 0.000 2.913 1072 V HA -0.099 4.021 4.120 0.000 0.000 0.260 1072 V C 1.577 177.592 176.094 -0.132 0.000 1.098 1072 V CA 1.574 63.734 62.300 -0.234 0.000 1.121 1072 V CB -0.738 30.914 31.823 -0.285 0.000 0.714 1072 V HN 0.458 nan 8.190 nan 0.000 0.487 1073 N N 0.772 119.401 118.700 -0.119 0.000 2.336 1073 N HA 0.045 4.785 4.740 0.000 0.000 0.189 1073 N C 0.253 175.725 175.510 -0.064 0.000 1.113 1073 N CA 0.611 53.614 53.050 -0.078 0.000 0.858 1073 N CB 0.199 38.643 38.487 -0.070 0.000 0.970 1073 N HN 0.610 nan 8.380 nan 0.000 0.471 1074 D N 1.394 121.751 120.400 -0.073 0.000 2.781 1074 D HA 0.178 4.818 4.640 0.000 0.000 0.254 1074 D C -0.448 175.819 176.300 -0.055 0.000 1.213 1074 D CA -0.425 53.541 54.000 -0.058 0.000 0.994 1074 D CB -0.426 40.339 40.800 -0.059 0.000 1.019 1074 D HN 0.254 nan 8.370 nan 0.000 0.514 1075 C N -0.336 118.934 119.300 -0.049 0.000 3.165 1075 C HA 0.421 4.881 4.460 0.000 0.000 0.345 1075 C C 0.487 175.453 174.990 -0.040 0.000 1.367 1075 C CA -0.774 58.214 59.018 -0.050 0.000 1.205 1075 C CB 1.096 28.796 27.740 -0.068 0.000 1.447 1075 C HN 0.144 nan 8.230 nan 0.000 0.451 1076 D N 0.439 120.814 120.400 -0.041 0.000 2.262 1076 D HA 0.282 4.922 4.640 0.000 0.000 0.212 1076 D C 0.340 176.615 176.300 -0.040 0.000 0.964 1076 D CA 1.273 55.256 54.000 -0.029 0.000 0.875 1076 D CB 0.324 41.117 40.800 -0.012 0.000 0.996 1076 D HN 0.662 nan 8.370 nan 0.000 0.497 1077 I N 1.239 121.768 120.570 -0.069 0.000 2.466 1077 I HA 0.229 4.399 4.170 0.000 0.000 0.289 1077 I C -1.213 174.873 176.117 -0.052 0.000 1.026 1077 I CA -1.017 60.244 61.300 -0.065 0.000 1.078 1077 I CB 2.782 40.718 38.000 -0.107 0.000 1.249 1077 I HN -0.221 nan 8.210 nan 0.000 0.429 1078 L N 8.066 129.291 121.223 0.004 0.000 2.298 1078 L HA 0.591 4.931 4.340 0.000 0.000 0.284 1078 L C -0.798 176.141 176.870 0.114 0.000 1.013 1078 L CA -0.068 54.801 54.840 0.049 0.000 0.824 1078 L CB 1.025 43.121 42.059 0.062 0.000 1.221 1078 L HN 0.391 nan 8.230 nan 0.000 0.418 1079 I N 6.439 127.101 120.570 0.153 0.000 2.339 1079 I HA 0.382 4.552 4.170 0.000 0.000 0.290 1079 I C -0.479 175.806 176.117 0.280 0.000 0.994 1079 I CA -0.412 61.036 61.300 0.247 0.000 1.191 1079 I CB 1.376 39.543 38.000 0.279 0.000 1.343 1079 I HN 0.470 nan 8.210 nan 0.000 0.458 1080 I N 6.313 127.051 120.570 0.282 0.000 2.355 1080 I HA 0.265 4.435 4.170 0.000 0.000 0.288 1080 I C 0.601 176.851 176.117 0.222 0.000 0.999 1080 I CA -0.354 61.086 61.300 0.233 0.000 1.163 1080 I CB 1.183 39.305 38.000 0.205 0.000 1.316 1080 I HN 0.593 nan 8.210 nan 0.000 0.454 1081 N N 3.378 122.179 118.700 0.169 0.000 2.356 1081 N HA 0.059 4.799 4.740 0.000 0.000 0.178 1081 N C 0.068 175.628 175.510 0.083 0.000 1.075 1081 N CA 0.257 53.418 53.050 0.184 0.000 0.889 1081 N CB 0.731 39.281 38.487 0.104 0.000 0.999 1081 N HN 0.728 nan 8.380 nan 0.000 0.464 1082 S N -0.904 114.774 115.700 -0.037 0.000 2.588 1082 S HA 0.639 5.109 4.470 0.000 0.000 0.269 1082 S C -0.658 173.814 174.600 -0.213 0.000 1.157 1082 S CA -0.843 57.297 58.200 -0.099 0.000 0.824 1082 S CB 1.920 65.034 63.200 -0.143 0.000 1.126 1082 S HN -0.079 nan 8.310 nan 0.000 0.464 1083 V N -3.057 116.722 119.914 -0.225 0.000 3.141 1083 V HA 0.845 4.965 4.120 0.000 0.000 0.312 1083 V C -3.250 172.639 176.094 -0.342 0.000 1.157 1083 V CA -3.010 59.036 62.300 -0.423 0.000 1.041 1083 V CB 0.904 32.556 31.823 -0.285 0.000 1.071 1083 V HN 0.737 nan 8.190 nan 0.000 0.441 1084 P HA 0.285 nan 4.420 nan 0.000 0.266 1084 P C -0.236 177.013 177.300 -0.085 0.000 1.193 1084 P CA 0.676 63.651 63.100 -0.209 0.000 0.770 1084 P CB 0.300 31.881 31.700 -0.198 0.000 0.836 1085 A N 2.069 124.882 122.820 -0.012 0.000 2.272 1085 A HA 0.344 4.664 4.320 0.000 0.000 0.275 1085 A C 1.535 179.126 177.584 0.013 0.000 1.096 1085 A CA 0.265 52.315 52.037 0.021 0.000 0.822 1085 A CB -0.486 18.550 19.000 0.061 0.000 1.088 1085 A HN 0.623 nan 8.150 nan 0.000 0.495 1086 T N -1.854 112.713 114.554 0.021 0.000 3.072 1086 T HA -0.094 4.256 4.350 0.000 0.000 0.266 1086 T C 1.280 175.988 174.700 0.014 0.000 1.127 1086 T CA 1.409 63.522 62.100 0.021 0.000 1.107 1086 T CB -0.574 68.310 68.868 0.026 0.000 0.910 1086 T HN 1.027 nan 8.240 nan 0.000 0.513 1087 S N 1.023 116.727 115.700 0.006 0.000 2.671 1087 S HA 0.319 4.789 4.470 0.000 0.000 0.220 1087 S C 0.655 175.249 174.600 -0.009 0.000 0.951 1087 S CA -0.331 57.865 58.200 -0.006 0.000 0.932 1087 S CB -0.917 62.269 63.200 -0.024 0.000 0.777 1087 S HN 0.638 nan 8.310 nan 0.000 0.508 1088 V N -1.373 118.541 119.914 0.001 0.000 2.863 1088 V HA 0.496 4.616 4.120 0.000 0.000 0.307 1088 V C -0.036 176.068 176.094 0.017 0.000 1.061 1088 V CA -1.169 61.135 62.300 0.007 0.000 1.024 1088 V CB 0.764 32.595 31.823 0.013 0.000 1.049 1088 V HN 0.351 nan 8.190 nan 0.000 0.471 1089 Q N 0.730 120.543 119.800 0.021 0.000 2.443 1089 Q HA 0.171 4.511 4.340 0.000 0.000 0.232 1089 Q C 1.011 177.034 176.000 0.038 0.000 1.026 1089 Q CA -0.425 55.394 55.803 0.026 0.000 0.924 1089 Q CB 0.734 29.487 28.738 0.025 0.000 1.256 1089 Q HN 0.785 nan 8.270 nan 0.000 0.519 1090 E N 0.932 121.154 120.200 0.036 0.000 2.070 1090 E HA -0.259 4.091 4.350 0.000 0.000 0.197 1090 E C 1.839 178.473 176.600 0.056 0.000 1.004 1090 E CA 1.635 58.061 56.400 0.043 0.000 0.805 1090 E CB -0.464 29.256 29.700 0.033 0.000 0.744 1090 E HN 0.743 nan 8.360 nan 0.000 0.451 1091 A N 0.864 123.715 122.820 0.051 0.000 1.948 1091 A HA -0.202 4.118 4.320 0.000 0.000 0.220 1091 A C 2.454 180.095 177.584 0.096 0.000 1.177 1091 A CA 2.272 54.347 52.037 0.063 0.000 0.636 1091 A CB -0.866 18.165 19.000 0.051 0.000 0.815 1091 A HN 0.286 nan 8.150 nan 0.000 0.449 1092 T N -0.233 114.376 114.554 0.092 0.000 2.698 1092 T HA -0.092 4.258 4.350 0.000 0.000 0.260 1092 T C 1.883 176.677 174.700 0.157 0.000 1.044 1092 T CA 1.415 63.584 62.100 0.116 0.000 1.149 1092 T CB -0.356 68.559 68.868 0.078 0.000 0.864 1092 T HN 0.414 nan 8.240 nan 0.000 0.419 1093 I N 1.928 122.574 120.570 0.126 0.000 2.226 1093 I HA -0.130 4.040 4.170 0.000 0.000 0.245 1093 I C 1.857 178.100 176.117 0.210 0.000 1.100 1093 I CA 1.406 62.806 61.300 0.168 0.000 1.374 1093 I CB -0.647 37.419 38.000 0.110 0.000 1.057 1093 I HN 0.238 nan 8.210 nan 0.000 0.413 1094 N N 0.443 119.229 118.700 0.144 0.000 2.058 1094 N HA -0.206 4.534 4.740 0.000 0.000 0.191 1094 N C 1.449 177.049 175.510 0.149 0.000 1.037 1094 N CA 1.440 54.561 53.050 0.119 0.000 0.848 1094 N CB -0.270 38.261 38.487 0.074 0.000 1.021 1094 N HN 0.371 nan 8.380 nan 0.000 0.422 1095 N N 0.321 119.133 118.700 0.186 0.000 2.381 1095 N HA -0.148 4.592 4.740 0.000 0.000 0.182 1095 N C 1.322 177.027 175.510 0.324 0.000 1.025 1095 N CA 0.564 53.782 53.050 0.280 0.000 0.888 1095 N CB -0.310 38.372 38.487 0.325 0.000 0.965 1095 N HN 0.431 nan 8.380 nan 0.000 0.438 1096 Y N 1.740 122.142 120.300 0.171 0.000 2.163 1096 Y HA -0.138 4.412 4.550 -0.000 0.000 0.288 1096 Y C 1.948 177.935 175.900 0.145 0.000 1.136 1096 Y CA 1.557 59.750 58.100 0.154 0.000 1.147 1096 Y CB 0.054 38.574 38.460 0.100 0.000 0.987 1096 Y HN -0.088 nan 8.280 nan 0.000 0.509 1097 K N 0.290 120.668 120.400 -0.036 0.000 2.152 1097 K HA -0.224 4.096 4.320 0.000 0.000 0.206 1097 K C 2.085 178.651 176.600 -0.057 0.000 1.048 1097 K CA 1.718 57.938 56.287 -0.112 0.000 0.933 1097 K CB -0.168 32.350 32.500 0.030 0.000 0.721 1097 K HN 0.231 nan 8.250 nan 0.000 0.447 1098 K N 1.062 121.504 120.400 0.070 0.000 2.288 1098 K HA -0.022 4.298 4.320 0.000 0.000 0.201 1098 K C 1.873 178.589 176.600 0.193 0.000 1.048 1098 K CA 0.504 56.890 56.287 0.164 0.000 0.956 1098 K CB 0.131 32.780 32.500 0.249 0.000 0.746 1098 K HN 0.055 nan 8.250 nan 0.000 0.461 1099 L N 0.437 121.701 121.223 0.070 0.000 2.072 1099 L HA -0.146 4.194 4.340 0.000 0.000 0.205 1099 L C 2.058 178.883 176.870 -0.075 0.000 1.079 1099 L CA 0.884 55.688 54.840 -0.061 0.000 0.752 1099 L CB -0.293 41.716 42.059 -0.083 0.000 0.906 1099 L HN 0.209 nan 8.230 nan 0.000 0.436 1100 L N -0.478 120.655 121.223 -0.149 0.000 2.079 1100 L HA -0.253 4.087 4.340 0.000 0.000 0.210 1100 L C 1.889 178.731 176.870 -0.047 0.000 1.081 1100 L CA 1.074 55.844 54.840 -0.117 0.000 0.752 1100 L CB -0.554 41.398 42.059 -0.178 0.000 0.896 1100 L HN 0.278 nan 8.230 nan 0.000 0.433 1101 D N -0.213 120.173 120.400 -0.024 0.000 2.317 1101 D HA -0.072 4.568 4.640 0.000 0.000 0.211 1101 D C 0.858 177.167 176.300 0.015 0.000 0.966 1101 D CA 0.780 54.781 54.000 0.001 0.000 0.876 1101 D CB -0.055 40.754 40.800 0.014 0.000 0.927 1101 D HN 0.345 nan 8.370 nan 0.000 0.519 1102 N N -0.513 118.200 118.700 0.021 0.000 2.338 1102 N HA 0.233 4.973 4.740 0.000 0.000 0.251 1102 N C -0.413 175.093 175.510 -0.007 0.000 1.199 1102 N CA -0.128 52.937 53.050 0.024 0.000 0.879 1102 N CB 1.128 39.658 38.487 0.072 0.000 1.159 1102 N HN 0.055 nan 8.380 nan 0.000 0.514 1103 I N 1.318 121.880 120.570 -0.014 0.000 2.352 1103 I HA 0.073 4.243 4.170 0.000 0.000 0.290 1103 I C 0.367 176.476 176.117 -0.012 0.000 1.036 1103 I CA -0.618 60.670 61.300 -0.020 0.000 1.336 1103 I CB 0.701 38.693 38.000 -0.013 0.000 1.407 1103 I HN -0.052 nan 8.210 nan 0.000 0.497 1104 K N 7.645 128.035 120.400 -0.016 0.000 2.513 1104 K HA -0.116 4.204 4.320 0.000 0.000 0.275 1104 K C -1.585 175.011 176.600 -0.007 0.000 1.025 1104 K CA -0.507 55.773 56.287 -0.011 0.000 1.125 1104 K CB 0.164 32.656 32.500 -0.014 0.000 0.843 1104 K HN 0.347 nan 8.250 nan 0.000 0.486 1105 P HA -0.205 nan 4.420 nan 0.000 0.220 1105 P C 1.090 178.388 177.300 -0.003 0.000 1.144 1105 P CA 1.267 64.365 63.100 -0.003 0.000 0.800 1105 P CB 0.219 31.917 31.700 -0.002 0.000 0.772 1106 S N -1.649 114.049 115.700 -0.004 0.000 2.470 1106 S HA 0.018 4.488 4.470 0.000 0.000 0.225 1106 S C 0.879 175.475 174.600 -0.006 0.000 1.006 1106 S CA 0.079 58.276 58.200 -0.004 0.000 0.934 1106 S CB -0.971 62.226 63.200 -0.004 0.000 0.778 1106 S HN 0.022 nan 8.310 nan 0.000 0.517 1107 I N 2.736 123.301 120.570 -0.008 0.000 2.533 1107 I HA 0.176 4.346 4.170 0.000 0.000 0.284 1107 I C 0.743 176.857 176.117 -0.005 0.000 1.109 1107 I CA -0.301 60.993 61.300 -0.009 0.000 1.412 1107 I CB 0.540 38.532 38.000 -0.012 0.000 1.396 1107 I HN 0.173 nan 8.210 nan 0.000 0.543 1108 R N 6.212 126.707 120.500 -0.008 0.000 2.242 1108 R HA 0.332 4.672 4.340 0.000 0.000 0.334 1108 R C -1.208 175.098 176.300 0.010 0.000 1.071 1108 R CA -0.394 55.704 56.100 -0.005 0.000 0.922 1108 R CB 0.595 30.885 30.300 -0.017 0.000 1.023 1108 R HN 0.460 nan 8.270 nan 0.000 0.458 1109 V N 6.364 126.290 119.914 0.021 0.000 2.385 1109 V HA 0.183 4.303 4.120 0.000 0.000 0.269 1109 V C -0.183 175.943 176.094 0.053 0.000 1.043 1109 V CA -0.487 61.841 62.300 0.047 0.000 0.906 1109 V CB 1.430 33.283 31.823 0.049 0.000 0.995 1109 V HN 0.505 nan 8.190 nan 0.000 0.467 1110 V N 6.405 126.372 119.914 0.088 0.000 2.370 1110 V HA 0.430 4.551 4.120 0.000 0.000 0.283 1110 V C -0.085 176.088 176.094 0.132 0.000 1.023 1110 V CA -0.534 61.823 62.300 0.096 0.000 0.857 1110 V CB 1.832 33.754 31.823 0.165 0.000 0.985 1110 V HN 0.582 nan 8.190 nan 0.000 0.443 1111 V N 5.667 125.614 119.914 0.055 0.000 2.417 1111 V HA 0.445 4.565 4.120 0.000 0.000 0.291 1111 V C -0.961 175.101 176.094 -0.054 0.000 1.024 1111 V CA -0.724 61.621 62.300 0.074 0.000 0.861 1111 V CB 1.436 33.306 31.823 0.079 0.000 0.985 1111 V HN 0.734 nan 8.190 nan 0.000 0.436 1112 Y N 2.866 123.108 120.300 -0.097 0.000 2.331 1112 Y HA 0.474 5.024 4.550 -0.000 0.000 0.338 1112 Y C 0.403 176.029 175.900 -0.457 0.000 0.976 1112 Y CA -0.459 57.371 58.100 -0.450 0.000 1.137 1112 Y CB 1.729 39.711 38.460 -0.796 0.000 1.172 1112 Y HN 0.548 nan 8.280 nan 0.000 0.478 1113 Q N 3.270 122.838 119.800 -0.387 0.000 2.503 1113 Q HA 0.141 4.481 4.340 0.000 0.000 0.227 1113 Q C 0.201 176.001 176.000 -0.333 0.000 1.109 1113 Q CA 0.153 55.712 55.803 -0.406 0.000 0.922 1113 Q CB -0.068 28.113 28.738 -0.928 0.000 1.249 1113 Q HN 0.703 nan 8.270 nan 0.000 0.530 1114 H N 1.164 120.172 119.070 -0.104 0.000 2.524 1114 H HA 0.029 4.585 4.556 -0.000 0.000 0.282 1114 H C -0.492 174.795 175.328 -0.068 0.000 1.016 1114 H CA 0.571 56.607 56.048 -0.019 0.000 1.270 1114 H CB 0.624 30.336 29.762 -0.083 0.000 1.394 1114 H HN 0.506 nan 8.280 nan 0.000 0.568 1115 D N 1.087 121.468 120.400 -0.032 0.000 2.317 1115 D HA 0.033 4.673 4.640 0.000 0.000 0.252 1115 D C 0.664 176.895 176.300 -0.115 0.000 1.174 1115 D CA -0.006 53.923 54.000 -0.118 0.000 0.866 1115 D CB 0.214 40.982 40.800 -0.054 0.000 1.127 1115 D HN 0.541 nan 8.370 nan 0.000 0.467 1116 H N -0.361 118.595 119.070 -0.191 0.000 2.351 1116 H HA 0.557 5.113 4.556 0.000 0.000 0.232 1116 H C -0.716 174.056 175.328 -0.927 0.000 1.452 1116 H CA -0.776 55.055 56.048 -0.361 0.000 1.236 1116 H CB 0.363 29.978 29.762 -0.245 0.000 1.579 1116 H HN 0.135 nan 8.280 nan 0.000 0.535 1117 S N 1.154 116.448 115.700 -0.678 0.000 2.535 1117 S HA 0.139 4.609 4.470 0.000 0.000 0.272 1117 S C 0.956 175.314 174.600 -0.403 0.000 1.149 1117 S CA -0.257 57.425 58.200 -0.863 0.000 0.888 1117 S CB 1.620 64.579 63.200 -0.402 0.000 1.110 1117 S HN 0.363 nan 8.310 nan 0.000 0.463 1118 V N 3.843 123.625 119.914 -0.218 0.000 2.515 1118 V HA 0.067 4.187 4.120 0.000 0.000 0.250 1118 V C 2.117 178.209 176.094 -0.003 0.000 1.058 1118 V CA 1.787 64.082 62.300 -0.007 0.000 1.064 1118 V CB -1.172 30.709 31.823 0.096 0.000 0.675 1118 V HN 0.825 nan 8.190 nan 0.000 0.461 1119 L N 1.709 122.921 121.223 -0.018 0.000 2.127 1119 L HA -0.077 4.263 4.340 0.000 0.000 0.211 1119 L C 2.091 178.970 176.870 0.015 0.000 1.089 1119 L CA 1.461 56.309 54.840 0.013 0.000 0.757 1119 L CB -0.209 41.864 42.059 0.023 0.000 0.899 1119 L HN 0.796 nan 8.230 nan 0.000 0.434 1120 S N -1.031 114.662 115.700 -0.013 0.000 2.618 1120 S HA 0.040 4.510 4.470 0.000 0.000 0.254 1120 S C 1.306 175.928 174.600 0.037 0.000 1.284 1120 S CA 0.174 58.379 58.200 0.008 0.000 0.975 1120 S CB 0.675 63.861 63.200 -0.022 0.000 1.022 1120 S HN 0.376 nan 8.310 nan 0.000 0.571 1121 L N -2.817 118.442 121.223 0.060 0.000 5.394 1121 L HA -0.322 4.018 4.340 0.000 0.000 0.428 1121 L C 2.153 179.062 176.870 0.065 0.000 0.929 1121 L CA 2.002 56.897 54.840 0.091 0.000 1.462 1121 L CB -1.497 40.637 42.059 0.124 0.000 1.520 1121 L HN 0.691 nan 8.230 nan 0.000 0.636 1122 R N 0.543 121.073 120.500 0.051 0.000 2.112 1122 R HA 0.012 4.352 4.340 0.000 0.000 0.216 1122 R C 1.727 178.053 176.300 0.043 0.000 1.080 1122 R CA 1.258 57.384 56.100 0.044 0.000 0.996 1122 R CB -0.065 30.259 30.300 0.040 0.000 0.902 1122 R HN 0.458 nan 8.270 nan 0.000 0.449 1123 R N 0.701 121.227 120.500 0.044 0.000 2.325 1123 R HA 0.094 4.434 4.340 0.000 0.000 0.214 1123 R C -0.413 175.909 176.300 0.038 0.000 0.961 1123 R CA 0.218 56.344 56.100 0.043 0.000 1.086 1123 R CB -0.402 29.929 30.300 0.051 0.000 1.037 1123 R HN 0.173 nan 8.270 nan 0.000 0.493 1124 N N 0.268 118.992 118.700 0.040 0.000 2.362 1124 N HA 0.429 5.169 4.740 0.000 0.000 0.298 1124 N C -1.206 174.327 175.510 0.038 0.000 1.048 1124 N CA -0.594 52.475 53.050 0.032 0.000 0.858 1124 N CB 1.781 40.299 38.487 0.051 0.000 1.218 1124 N HN -0.079 nan 8.380 nan 0.000 0.488 1125 L N 0.455 121.692 121.223 0.023 0.000 2.333 1125 L HA 0.619 4.959 4.340 0.000 0.000 0.269 1125 L C 1.117 178.043 176.870 0.093 0.000 1.010 1125 L CA -0.849 54.021 54.840 0.050 0.000 0.818 1125 L CB 1.784 43.868 42.059 0.042 0.000 1.306 1125 L HN 0.829 nan 8.230 nan 0.000 0.430 1126 G N 1.252 110.141 108.800 0.148 0.000 2.168 1126 G HA2 -0.301 3.659 3.960 0.000 0.000 0.257 1126 G HA3 -0.301 3.659 3.960 0.000 0.000 0.257 1126 G C 0.539 175.587 174.900 0.247 0.000 0.997 1126 G CA 0.663 45.913 45.100 0.251 0.000 0.708 1126 G HN 0.529 nan 8.290 nan 0.000 0.520 1127 L N 0.356 121.672 121.223 0.156 0.000 2.109 1127 L HA 0.261 4.601 4.340 0.000 0.000 0.207 1127 L C 2.372 179.315 176.870 0.121 0.000 1.086 1127 L CA 2.811 57.740 54.840 0.149 0.000 0.760 1127 L CB -0.332 41.806 42.059 0.130 0.000 0.910 1127 L HN 0.466 nan 8.230 nan 0.000 0.437 1128 E N -0.820 119.428 120.200 0.080 0.000 2.208 1128 E HA -0.216 4.134 4.350 0.000 0.000 0.193 1128 E C 1.748 178.373 176.600 0.043 0.000 0.988 1128 E CA 0.899 57.323 56.400 0.039 0.000 0.828 1128 E CB 0.180 29.891 29.700 0.018 0.000 0.763 1128 E HN 0.526 nan 8.360 nan 0.000 0.478 1129 E N -0.665 119.572 120.200 0.062 0.000 2.216 1129 E HA -0.068 4.282 4.350 0.000 0.000 0.192 1129 E C 1.829 178.452 176.600 0.039 0.000 0.988 1129 E CA 1.330 57.753 56.400 0.037 0.000 0.834 1129 E CB 0.097 29.812 29.700 0.025 0.000 0.772 1129 E HN 0.160 nan 8.360 nan 0.000 0.479 1130 T N -0.087 114.523 114.554 0.093 0.000 2.812 1130 T HA -0.081 4.269 4.350 0.000 0.000 0.264 1130 T C 2.003 176.755 174.700 0.087 0.000 1.042 1130 T CA 0.921 63.088 62.100 0.112 0.000 1.140 1130 T CB -0.215 68.774 68.868 0.201 0.000 0.870 1130 T HN -0.018 nan 8.240 nan 0.000 0.445 1131 V N 1.634 121.599 119.914 0.085 0.000 2.515 1131 V HA -0.126 3.994 4.120 0.000 0.000 0.250 1131 V C 2.547 178.655 176.094 0.023 0.000 1.058 1131 V CA 1.490 63.827 62.300 0.061 0.000 1.064 1131 V CB -0.594 31.251 31.823 0.036 0.000 0.675 1131 V HN 0.395 nan 8.190 nan 0.000 0.461 1132 R N -0.155 120.354 120.500 0.015 0.000 2.148 1132 R HA -0.082 4.258 4.340 0.000 0.000 0.223 1132 R C 2.368 178.669 176.300 0.003 0.000 1.088 1132 R CA 0.976 57.077 56.100 0.001 0.000 0.985 1132 R CB -0.166 30.133 30.300 -0.002 0.000 0.880 1132 R HN 0.291 nan 8.270 nan 0.000 0.451 1133 R N 1.003 121.509 120.500 0.011 0.000 2.265 1133 R HA 0.198 4.538 4.340 0.000 0.000 0.194 1133 R C -0.086 176.224 176.300 0.016 0.000 0.931 1133 R CA 0.322 56.427 56.100 0.009 0.000 1.032 1133 R CB 0.215 30.518 30.300 0.004 0.000 0.980 1133 R HN 0.082 nan 8.270 nan 0.000 0.497 1134 A N 0.625 123.460 122.820 0.025 0.000 2.498 1134 A HA 0.098 4.418 4.320 0.000 0.000 0.239 1134 A C 0.023 177.609 177.584 0.004 0.000 1.068 1134 A CA 0.183 52.234 52.037 0.024 0.000 0.766 1134 A CB 0.233 19.253 19.000 0.033 0.000 1.003 1134 A HN 0.432 nan 8.150 nan 0.000 0.497 1135 D N 0.153 120.553 120.400 -0.001 0.000 2.388 1135 D HA 0.191 4.831 4.640 0.000 0.000 0.208 1135 D C -0.300 175.982 176.300 -0.030 0.000 1.035 1135 D CA 0.987 54.980 54.000 -0.012 0.000 0.875 1135 D CB 0.709 41.504 40.800 -0.008 0.000 0.984 1135 D HN 0.237 nan 8.370 nan 0.000 0.508 1136 V N 1.595 121.481 119.914 -0.048 0.000 2.851 1136 V HA 0.402 4.522 4.120 0.000 0.000 0.307 1136 V C -0.688 175.305 176.094 -0.168 0.000 1.129 1136 V CA -0.711 61.517 62.300 -0.120 0.000 0.932 1136 V CB 3.071 34.804 31.823 -0.149 0.000 1.024 1136 V HN -0.106 nan 8.190 nan 0.000 0.426 1137 I N 3.882 124.298 120.570 -0.256 0.000 2.545 1137 I HA 0.587 4.757 4.170 0.000 0.000 0.292 1137 I C -1.397 174.476 176.117 -0.406 0.000 1.040 1137 I CA -0.375 60.793 61.300 -0.220 0.000 1.068 1137 I CB 2.229 40.210 38.000 -0.031 0.000 1.251 1137 I HN 0.425 nan 8.210 nan 0.000 0.424 1138 F N 3.352 123.087 119.950 -0.359 0.000 2.532 1138 F HA 0.594 5.121 4.527 -0.000 0.000 0.321 1138 F C 0.359 176.027 175.800 -0.220 0.000 1.089 1138 F CA -0.420 57.389 58.000 -0.320 0.000 0.926 1138 F CB 2.308 40.819 39.000 -0.813 0.000 1.168 1138 F HN 0.464 nan 8.300 nan 0.000 0.459 1139 S N 0.637 116.453 115.700 0.194 0.000 2.697 1139 S HA 0.432 4.902 4.470 0.000 0.000 0.289 1139 S C -0.082 174.506 174.600 -0.021 0.000 1.149 1139 S CA -0.681 57.513 58.200 -0.010 0.000 0.850 1139 S CB 1.518 64.643 63.200 -0.124 0.000 1.151 1139 S HN 0.681 nan 8.310 nan 0.000 0.491 1140 H N 0.150 119.185 119.070 -0.058 0.000 2.544 1140 H HA 0.426 4.982 4.556 0.000 0.000 0.269 1140 H C 0.392 175.685 175.328 -0.057 0.000 0.970 1140 H CA 1.028 56.964 56.048 -0.186 0.000 1.219 1140 H CB 0.549 30.235 29.762 -0.126 0.000 1.421 1140 H HN 0.593 nan 8.280 nan 0.000 0.555 1141 S N -0.495 115.280 115.700 0.125 0.000 2.537 1141 S HA 0.165 4.635 4.470 0.000 0.000 0.271 1141 S C -0.092 174.573 174.600 0.108 0.000 1.148 1141 S CA -0.805 57.460 58.200 0.108 0.000 0.868 1141 S CB 1.561 64.838 63.200 0.130 0.000 1.115 1141 S HN 0.044 nan 8.310 nan 0.000 0.461 1142 D N 1.693 122.138 120.400 0.074 0.000 2.162 1142 D HA 0.029 4.669 4.640 0.000 0.000 0.205 1142 D C 0.094 176.431 176.300 0.061 0.000 0.964 1142 D CA 0.627 54.664 54.000 0.062 0.000 0.847 1142 D CB -0.062 40.756 40.800 0.030 0.000 0.988 1142 D HN 0.507 nan 8.370 nan 0.000 0.480 1143 N N 1.196 119.924 118.700 0.046 0.000 3.259 1143 N HA 0.248 4.988 4.740 0.000 0.000 0.308 1143 N C 0.280 175.819 175.510 0.048 0.000 1.334 1143 N CA 0.108 53.175 53.050 0.028 0.000 1.202 1143 N CB 0.948 39.433 38.487 -0.004 0.000 1.485 1143 N HN 0.053 nan 8.380 nan 0.000 0.549 1144 G N -0.577 108.291 108.800 0.113 0.000 2.725 1144 G HA2 0.101 4.061 3.960 0.000 0.000 0.288 1144 G HA3 0.101 4.061 3.960 0.000 0.000 0.288 1144 G C 0.437 175.466 174.900 0.215 0.000 1.399 1144 G CA -0.423 44.800 45.100 0.204 0.000 0.859 1144 G HN 0.022 nan 8.290 nan 0.000 0.479 1145 D N -0.170 120.397 120.400 0.278 0.000 2.154 1145 D HA -0.244 4.396 4.640 0.000 0.000 0.190 1145 D C 1.936 178.349 176.300 0.188 0.000 1.003 1145 D CA 1.708 55.831 54.000 0.206 0.000 0.849 1145 D CB -0.221 40.699 40.800 0.200 0.000 0.942 1145 D HN 0.190 nan 8.370 nan 0.000 0.446 1146 F N 0.789 120.775 119.950 0.060 0.000 2.085 1146 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 1146 F C 1.045 176.858 175.800 0.021 0.000 1.096 1146 F CA 1.470 59.491 58.000 0.034 0.000 1.227 1146 F CB -0.521 38.502 39.000 0.038 0.000 0.983 1146 F HN -0.036 nan 8.300 nan 0.000 0.482 1170 T N 2.277 116.731 114.554 -0.166 0.000 2.744 1170 T HA 0.517 4.867 4.350 0.000 0.000 0.291 1170 T C -0.055 174.402 174.700 -0.404 0.000 0.957 1170 T CA -0.198 61.713 62.100 -0.315 0.000 1.002 1170 T CB 1.784 70.397 68.868 -0.425 0.000 0.919 1170 T HN -0.006 nan 8.240 nan 0.000 0.468 1171 V N 5.422 125.125 119.914 -0.351 0.000 2.385 1171 V HA 0.320 4.440 4.120 0.000 0.000 0.269 1171 V C -0.596 175.285 176.094 -0.354 0.000 1.043 1171 V CA -0.696 61.456 62.300 -0.247 0.000 0.906 1171 V CB -0.277 31.529 31.823 -0.029 0.000 0.995 1171 V HN 0.736 nan 8.190 nan 0.000 0.467 1172 Y N 2.942 123.098 120.300 -0.239 0.000 2.432 1172 Y HA 0.352 4.902 4.550 -0.000 0.000 0.322 1172 Y C 0.802 176.707 175.900 0.009 0.000 1.246 1172 Y CA -0.557 57.423 58.100 -0.199 0.000 1.268 1172 Y CB 0.926 39.121 38.460 -0.443 0.000 1.276 1172 Y HN 0.552 nan 8.280 nan 0.000 0.499 1173 N N 1.195 120.083 118.700 0.313 0.000 2.489 1173 N HA 0.460 5.200 4.740 0.000 0.000 0.284 1173 N C -1.496 174.281 175.510 0.445 0.000 1.158 1173 N CA -0.136 53.086 53.050 0.287 0.000 0.965 1173 N CB 1.249 39.818 38.487 0.136 0.000 1.195 1173 N HN 0.568 nan 8.380 nan 0.000 0.506 1174 F N -0.785 119.206 119.950 0.068 0.000 2.741 1174 F HA 0.439 4.966 4.527 0.000 0.000 0.313 1174 F C -1.831 173.895 175.800 -0.124 0.000 1.153 1174 F CA -0.888 57.078 58.000 -0.057 0.000 0.931 1174 F CB 1.176 40.066 39.000 -0.184 0.000 1.335 1174 F HN 0.292 nan 8.300 nan 0.000 0.460 1175 Q N 2.104 121.709 119.800 -0.324 0.000 2.356 1175 Q HA 0.404 4.744 4.340 0.000 0.000 0.270 1175 Q C -2.799 173.107 176.000 -0.157 0.000 1.058 1175 Q CA -2.311 53.255 55.803 -0.395 0.000 0.802 1175 Q CB 2.963 31.503 28.738 -0.330 0.000 1.303 1175 Q HN 0.398 nan 8.270 nan 0.000 0.444 1176 P HA 0.143 nan 4.420 nan 0.000 0.268 1176 P C -2.649 174.674 177.300 0.038 0.000 1.541 1176 P CA -1.286 61.959 63.100 0.243 0.000 1.093 1176 P CB 0.259 32.039 31.700 0.134 0.000 1.551 1177 P HA 0.345 nan 4.420 nan 0.000 0.274 1177 P C -0.157 177.337 177.300 0.324 0.000 1.260 1177 P CA -0.237 62.819 63.100 -0.073 0.000 0.793 1177 P CB 0.675 32.069 31.700 -0.511 0.000 1.048 1178 M N 0.225 119.987 119.600 0.269 0.000 2.471 1178 M HA 0.275 4.755 4.480 0.000 0.000 0.284 1178 M C -1.589 174.844 176.300 0.222 0.000 1.203 1178 M CA -0.737 54.756 55.300 0.323 0.000 0.915 1178 M CB 2.214 35.054 32.600 0.400 0.000 1.734 1178 M HN 0.088 nan 8.290 nan 0.000 0.485 1179 D N 3.889 124.415 120.400 0.209 0.000 2.508 1179 D HA 0.243 4.883 4.640 0.000 0.000 0.224 1179 D C 0.967 177.396 176.300 0.215 0.000 1.171 1179 D CA 0.108 54.219 54.000 0.186 0.000 1.006 1179 D CB -0.099 40.795 40.800 0.157 0.000 1.073 1179 D HN 0.631 nan 8.370 nan 0.000 0.513 1180 I N 1.810 122.518 120.570 0.229 0.000 2.361 1180 I HA -0.262 3.908 4.170 0.000 0.000 0.251 1180 I C 2.234 178.563 176.117 0.354 0.000 1.133 1180 I CA 0.388 61.856 61.300 0.279 0.000 1.413 1180 I CB 0.075 38.204 38.000 0.215 0.000 1.073 1180 I HN 0.232 nan 8.210 nan 0.000 0.424 1181 V N 1.302 121.407 119.914 0.319 0.000 2.287 1181 V HA -0.338 3.782 4.120 0.000 0.000 0.248 1181 V C 2.591 178.812 176.094 0.212 0.000 1.053 1181 V CA 2.213 64.681 62.300 0.279 0.000 1.027 1181 V CB -0.781 31.158 31.823 0.193 0.000 0.646 1181 V HN 0.472 nan 8.190 nan 0.000 0.447 1182 K N 0.201 120.710 120.400 0.182 0.000 2.032 1182 K HA -0.179 4.141 4.320 0.000 0.000 0.209 1182 K C 2.084 178.799 176.600 0.192 0.000 1.048 1182 K CA 2.015 58.390 56.287 0.146 0.000 0.927 1182 K CB -0.280 32.297 32.500 0.129 0.000 0.712 1182 K HN 0.333 nan 8.250 nan 0.000 0.441 1183 V N 1.751 121.828 119.914 0.270 0.000 2.287 1183 V HA -0.281 3.839 4.120 0.000 0.000 0.248 1183 V C 2.673 179.008 176.094 0.402 0.000 1.053 1183 V CA 2.302 64.826 62.300 0.374 0.000 1.027 1183 V CB -0.784 31.255 31.823 0.360 0.000 0.646 1183 V HN 0.464 nan 8.190 nan 0.000 0.447 1184 R N 1.506 122.229 120.500 0.372 0.000 2.113 1184 R HA -0.214 4.126 4.340 0.000 0.000 0.231 1184 R C 2.454 178.875 176.300 0.201 0.000 1.129 1184 R CA 2.423 58.727 56.100 0.340 0.000 0.915 1184 R CB -0.721 29.635 30.300 0.093 0.000 0.837 1184 R HN 0.629 nan 8.270 nan 0.000 0.430 1185 S N -1.183 114.560 115.700 0.070 0.000 2.559 1185 S HA -0.107 4.363 4.470 0.000 0.000 0.250 1185 S C 1.171 175.764 174.600 -0.012 0.000 0.977 1185 S CA 1.509 59.711 58.200 0.002 0.000 0.958 1185 S CB -0.193 62.996 63.200 -0.019 0.000 0.751 1185 S HN 0.537 nan 8.310 nan 0.000 0.534 1186 T N -0.480 114.065 114.554 -0.014 0.000 3.056 1186 T HA 0.265 4.615 4.350 0.000 0.000 0.243 1186 T C 0.885 175.343 174.700 -0.404 0.000 0.995 1186 T CA 0.309 62.252 62.100 -0.262 0.000 1.091 1186 T CB -0.159 68.453 68.868 -0.426 0.000 0.990 1186 T HN 0.541 nan 8.240 nan 0.000 0.464 1187 Y N -0.656 119.720 120.300 0.127 0.000 2.535 1187 Y HA 0.346 4.896 4.550 -0.000 0.000 0.264 1187 Y C 0.831 176.809 175.900 0.131 0.000 1.087 1187 Y CA -1.627 56.535 58.100 0.104 0.000 1.285 1187 Y CB 0.248 38.755 38.460 0.078 0.000 1.200 1187 Y HN 0.186 nan 8.280 nan 0.000 0.514 1188 W N 4.917 126.285 121.300 0.114 0.000 2.549 1188 W HA -0.063 4.597 4.660 -0.000 0.000 0.343 1188 W C -0.316 176.209 176.519 0.009 0.000 1.278 1188 W CA 0.789 58.153 57.345 0.031 0.000 1.277 1188 W CB 0.399 29.833 29.460 -0.044 0.000 1.249 1188 W HN -0.021 nan 8.180 nan 0.000 0.572 1189 K N 4.061 124.423 120.400 -0.064 0.000 2.267 1189 K HA 0.193 4.513 4.320 0.000 0.000 0.236 1189 K C -0.271 176.341 176.600 0.020 0.000 1.030 1189 K CA -0.654 55.637 56.287 0.007 0.000 0.930 1189 K CB 0.478 32.954 32.500 -0.040 0.000 1.182 1189 K HN 0.395 nan 8.250 nan 0.000 0.474 1190 D N 1.172 121.602 120.400 0.050 0.000 2.264 1190 D HA -0.006 4.634 4.640 0.000 0.000 0.250 1190 D C 1.222 177.540 176.300 0.030 0.000 1.113 1190 D CA -0.142 53.899 54.000 0.068 0.000 0.871 1190 D CB 1.659 42.495 40.800 0.060 0.000 1.167 1190 D HN 0.176 nan 8.370 nan 0.000 0.447 1191 V N 4.471 124.415 119.914 0.051 0.000 2.252 1191 V HA -0.372 3.748 4.120 0.000 0.000 0.255 1191 V C 2.218 178.331 176.094 0.032 0.000 1.071 1191 V CA 3.437 65.783 62.300 0.076 0.000 1.050 1191 V CB -0.726 31.171 31.823 0.123 0.000 0.654 1191 V HN 0.782 nan 8.190 nan 0.000 0.448 1192 S N -0.957 114.759 115.700 0.026 0.000 2.484 1192 S HA -0.256 4.214 4.470 0.000 0.000 0.250 1192 S C 1.541 176.139 174.600 -0.004 0.000 0.995 1192 S CA 1.939 60.144 58.200 0.008 0.000 0.967 1192 S CB -0.653 62.555 63.200 0.014 0.000 0.752 1192 S HN 0.880 nan 8.310 nan 0.000 0.517 1193 E N 0.129 120.326 120.200 -0.006 0.000 2.460 1193 E HA 0.310 4.660 4.350 0.000 0.000 0.200 1193 E C -0.199 176.382 176.600 -0.031 0.000 1.011 1193 E CA -0.149 56.243 56.400 -0.013 0.000 0.912 1193 E CB 0.235 29.932 29.700 -0.006 0.000 0.953 1193 E HN 0.599 nan 8.360 nan 0.000 0.494 1194 I N 2.904 123.446 120.570 -0.047 0.000 2.363 1194 I HA 0.019 4.189 4.170 0.000 0.000 0.292 1194 I C 0.275 176.324 176.117 -0.113 0.000 1.075 1194 I CA -0.519 60.731 61.300 -0.083 0.000 1.333 1194 I CB 0.167 38.112 38.000 -0.092 0.000 1.415 1194 I HN -0.039 nan 8.210 nan 0.000 0.502 1195 N N 7.960 126.617 118.700 -0.072 0.000 2.416 1195 N HA 0.031 4.771 4.740 0.000 0.000 0.271 1195 N C 0.789 176.269 175.510 -0.049 0.000 1.245 1195 N CA -0.009 53.013 53.050 -0.047 0.000 0.940 1195 N CB 0.789 39.268 38.487 -0.013 0.000 1.175 1195 N HN 0.530 nan 8.380 nan 0.000 0.483 1196 M N 1.970 121.529 119.600 -0.069 0.000 2.632 1196 M HA -0.046 4.434 4.480 0.000 0.000 0.256 1196 M C 0.295 176.674 176.300 0.131 0.000 1.080 1196 M CA 0.600 55.891 55.300 -0.014 0.000 1.084 1196 M CB -0.581 31.987 32.600 -0.053 0.000 1.439 1196 M HN 0.363 nan 8.290 nan 0.000 0.509 1197 N N 0.363 119.118 118.700 0.092 0.000 2.268 1197 N HA 0.159 4.899 4.740 0.000 0.000 0.204 1197 N C -0.278 175.317 175.510 0.141 0.000 1.124 1197 N CA 0.233 53.354 53.050 0.118 0.000 0.838 1197 N CB 0.839 39.374 38.487 0.081 0.000 0.994 1197 N HN 0.181 nan 8.380 nan 0.000 0.489 1198 I N 1.082 121.748 120.570 0.160 0.000 2.389 1198 I HA 0.260 4.430 4.170 0.000 0.000 0.288 1198 I C -0.571 175.704 176.117 0.263 0.000 0.999 1198 I CA -0.682 60.714 61.300 0.159 0.000 1.129 1198 I CB 1.303 39.356 38.000 0.090 0.000 1.288 1198 I HN -0.146 nan 8.210 nan 0.000 0.444 1199 N N 5.692 124.566 118.700 0.289 0.000 2.446 1199 N HA 0.472 5.212 4.740 0.000 0.000 0.265 1199 N C -0.447 175.269 175.510 0.343 0.000 0.975 1199 N CA -0.622 52.718 53.050 0.483 0.000 0.928 1199 N CB 1.768 40.570 38.487 0.524 0.000 1.160 1199 N HN 0.403 nan 8.380 nan 0.000 0.495 1200 R N 1.568 122.312 120.500 0.406 0.000 2.387 1200 R HA 0.387 4.727 4.340 0.000 0.000 0.314 1200 R C -1.493 175.047 176.300 0.401 0.000 0.958 1200 R CA -0.742 55.521 56.100 0.272 0.000 0.846 1200 R CB 1.160 31.534 30.300 0.123 0.000 1.147 1200 R HN 0.624 nan 8.270 nan 0.000 0.447 1201 W N 7.392 128.740 121.300 0.080 0.000 2.529 1201 W HA 0.522 5.182 4.660 -0.000 0.000 0.321 1201 W C -1.086 175.432 176.519 -0.002 0.000 1.047 1201 W CA -0.731 56.651 57.345 0.062 0.000 1.216 1201 W CB 0.853 30.261 29.460 -0.088 0.000 1.357 1201 W HN 0.486 nan 8.180 nan 0.000 0.489 1202 I N 4.917 125.140 120.570 -0.579 0.000 2.647 1202 I HA 1.029 5.199 4.170 0.000 0.000 0.295 1202 I C 0.157 175.641 176.117 -1.054 0.000 1.078 1202 I CA -0.708 60.261 61.300 -0.551 0.000 1.048 1202 I CB 1.801 39.637 38.000 -0.273 0.000 1.239 1202 I HN 0.731 nan 8.210 nan 0.000 0.421 1203 G N 4.828 113.184 108.800 -0.741 0.000 2.512 1203 G HA2 0.472 4.432 3.960 0.000 0.000 0.181 1203 G HA3 0.472 4.432 3.960 0.000 0.000 0.181 1203 G C -1.553 173.233 174.900 -0.191 0.000 1.173 1203 G CA -0.637 44.091 45.100 -0.620 0.000 0.988 1203 G HN 1.007 nan 8.290 nan 0.000 0.485 1204 R N -1.698 118.767 120.500 -0.059 0.000 2.766 1204 R HA 0.640 4.980 4.340 0.000 0.000 0.270 1204 R C -0.893 175.416 176.300 0.015 0.000 1.035 1204 R CA -0.513 55.595 56.100 0.013 0.000 0.911 1204 R CB 0.682 30.936 30.300 -0.076 0.000 1.243 1204 R HN 0.372 nan 8.270 nan 0.000 0.460 1205 T N 1.216 115.719 114.554 -0.085 0.000 4.508 1205 T HA 0.148 4.498 4.350 0.000 0.000 0.232 1205 T C -0.547 174.098 174.700 -0.092 0.000 1.027 1205 T CA 0.181 62.132 62.100 -0.248 0.000 0.999 1205 T CB -0.516 68.225 68.868 -0.212 0.000 1.402 1205 T HN 0.406 nan 8.240 nan 0.000 1.003 1206 T N 1.481 116.047 114.554 0.020 0.000 2.921 1206 T HA 0.285 4.635 4.350 0.000 0.000 0.297 1206 T C 1.674 176.471 174.700 0.162 0.000 1.013 1206 T CA -0.688 61.447 62.100 0.058 0.000 0.990 1206 T CB 1.765 70.516 68.868 -0.194 0.000 1.023 1206 T HN 0.486 nan 8.240 nan 0.000 0.447 1207 T N 0.169 114.871 114.554 0.246 0.000 2.714 1207 T HA -0.176 4.174 4.350 0.000 0.000 0.268 1207 T C 1.868 176.540 174.700 -0.047 0.000 1.036 1207 T CA 1.592 63.696 62.100 0.007 0.000 1.148 1207 T CB -0.435 68.494 68.868 0.102 0.000 0.856 1207 T HN 0.862 nan 8.240 nan 0.000 0.462 1208 W N 1.271 122.578 121.300 0.011 0.000 2.961 1208 W HA 0.315 4.975 4.660 -0.000 0.000 0.240 1208 W C 0.793 177.267 176.519 -0.075 0.000 1.305 1208 W CA -0.170 57.128 57.345 -0.079 0.000 1.465 1208 W CB -0.612 28.813 29.460 -0.057 0.000 1.135 1208 W HN 0.126 nan 8.180 nan 0.000 0.688 1209 K N 0.969 121.198 120.400 -0.286 0.000 2.459 1209 K HA 0.082 4.402 4.320 0.000 0.000 0.193 1209 K C 1.547 178.234 176.600 0.144 0.000 1.030 1209 K CA 0.827 57.026 56.287 -0.147 0.000 1.026 1209 K CB -0.573 31.872 32.500 -0.091 0.000 0.809 1209 K HN 0.308 nan 8.250 nan 0.000 0.504 1210 G N 2.532 111.327 108.800 -0.008 0.000 2.225 1210 G HA2 -0.284 3.676 3.960 0.000 0.000 0.264 1210 G HA3 -0.284 3.676 3.960 0.000 0.000 0.264 1210 G C 0.507 175.383 174.900 -0.041 0.000 1.060 1210 G CA 0.451 45.505 45.100 -0.076 0.000 0.833 1210 G HN 0.419 nan 8.290 nan 0.000 0.498 1211 F N -2.317 117.499 119.950 -0.223 0.000 2.325 1211 F HA 0.217 4.744 4.527 0.000 0.000 0.299 1211 F C 2.181 177.664 175.800 -0.529 0.000 1.090 1211 F CA 0.756 58.272 58.000 -0.808 0.000 1.392 1211 F CB -0.504 37.925 39.000 -0.952 0.000 1.053 1211 F HN 0.239 nan 8.300 nan 0.000 0.521 1212 Y N 0.915 120.933 120.300 -0.469 0.000 2.153 1212 Y HA -0.178 4.372 4.550 -0.000 0.000 0.289 1212 Y C 2.605 178.518 175.900 0.021 0.000 1.127 1212 Y CA 1.205 59.246 58.100 -0.099 0.000 1.131 1212 Y CB -0.576 37.744 38.460 -0.233 0.000 0.995 1212 Y HN 0.008 nan 8.280 nan 0.000 0.505 1213 Q N -0.601 119.289 119.800 0.150 0.000 2.248 1213 Q HA -0.254 4.086 4.340 0.000 0.000 0.208 1213 Q C 2.135 178.240 176.000 0.175 0.000 0.984 1213 Q CA 1.830 57.776 55.803 0.238 0.000 0.875 1213 Q CB -0.368 28.531 28.738 0.269 0.000 0.910 1213 Q HN 0.441 nan 8.270 nan 0.000 0.433 1214 M N -1.247 118.305 119.600 -0.079 0.000 2.123 1214 M HA -0.010 4.470 4.480 0.000 0.000 0.263 1214 M C 1.102 177.397 176.300 -0.009 0.000 1.069 1214 M CA 1.366 56.544 55.300 -0.203 0.000 1.133 1214 M CB -0.227 31.931 32.600 -0.736 0.000 1.356 1214 M HN 0.147 nan 8.290 nan 0.000 0.415 1215 F N 0.437 120.398 119.950 0.018 0.000 2.216 1215 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 1215 F C 2.258 178.176 175.800 0.196 0.000 1.085 1215 F CA 1.672 59.740 58.000 0.113 0.000 1.326 1215 F CB -1.049 38.018 39.000 0.111 0.000 1.027 1215 F HN 0.252 nan 8.300 nan 0.000 0.497 1216 D N -0.500 120.151 120.400 0.418 0.000 2.077 1216 D HA -0.232 4.408 4.640 0.000 0.000 0.196 1216 D C 2.222 178.756 176.300 0.390 0.000 0.986 1216 D CA 1.077 55.285 54.000 0.348 0.000 0.829 1216 D CB -0.576 40.433 40.800 0.348 0.000 0.983 1216 D HN 0.132 nan 8.370 nan 0.000 0.453 1217 F N 1.146 121.291 119.950 0.324 0.000 2.111 1217 F HA -0.265 4.262 4.527 0.000 0.000 0.300 1217 F C 2.407 178.400 175.800 0.321 0.000 1.088 1217 F CA 2.274 60.496 58.000 0.370 0.000 1.243 1217 F CB -0.629 38.592 39.000 0.369 0.000 0.996 1217 F HN 0.238 nan 8.300 nan 0.000 0.483 1218 H N -0.461 118.737 119.070 0.213 0.000 2.321 1218 H HA -0.182 4.374 4.556 0.000 0.000 0.300 1218 H C 2.338 177.672 175.328 0.011 0.000 1.087 1218 H CA 1.665 57.756 56.048 0.073 0.000 1.319 1218 H CB -0.350 29.488 29.762 0.127 0.000 1.379 1218 H HN 0.471 nan 8.280 nan 0.000 0.501 1219 E N 0.623 120.801 120.200 -0.037 0.000 2.153 1219 E HA -0.154 4.196 4.350 0.000 0.000 0.194 1219 E C 1.892 178.362 176.600 -0.216 0.000 0.988 1219 E CA 0.983 57.285 56.400 -0.163 0.000 0.811 1219 E CB 0.165 29.852 29.700 -0.021 0.000 0.746 1219 E HN 0.471 nan 8.360 nan 0.000 0.466 1220 K N -1.426 118.859 120.400 -0.191 0.000 2.284 1220 K HA 0.034 4.354 4.320 0.000 0.000 0.198 1220 K C 1.026 177.055 176.600 -0.952 0.000 1.048 1220 K CA 0.641 56.634 56.287 -0.490 0.000 0.987 1220 K CB 0.344 32.592 32.500 -0.420 0.000 0.800 1220 K HN 0.100 nan 8.250 nan 0.000 0.486 1221 F N -0.863 118.710 119.950 -0.628 0.000 2.102 1221 F HA 0.143 4.670 4.527 -0.000 0.000 0.254 1221 F C 1.680 177.012 175.800 -0.781 0.000 0.975 1221 F CA -0.401 57.004 58.000 -0.992 0.000 1.176 1221 F CB -0.432 37.515 39.000 -1.755 0.000 1.358 1221 F HN -0.257 nan 8.300 nan 0.000 0.728 1222 L N 0.902 121.902 121.223 -0.372 0.000 1.990 1222 L HA -0.274 4.066 4.340 0.000 0.000 0.213 1222 L C 2.458 179.360 176.870 0.054 0.000 1.072 1222 L CA 2.011 56.856 54.840 0.008 0.000 0.755 1222 L CB -0.732 41.479 42.059 0.254 0.000 0.889 1222 L HN 0.187 nan 8.230 nan 0.000 0.432 1223 K N 0.012 120.321 120.400 -0.153 0.000 2.026 1223 K HA -0.160 4.160 4.320 0.000 0.000 0.208 1223 K C -0.234 176.294 176.600 -0.121 0.000 1.048 1223 K CA 1.503 57.649 56.287 -0.235 0.000 0.929 1223 K CB -0.815 31.301 32.500 -0.640 0.000 0.713 1223 K HN 0.132 nan 8.250 nan 0.000 0.439 1224 P HA -0.193 nan 4.420 nan 0.000 0.215 1224 P C 0.341 177.614 177.300 -0.045 0.000 1.163 1224 P CA 1.890 64.911 63.100 -0.132 0.000 0.894 1224 P CB -0.057 31.515 31.700 -0.214 0.000 0.791 1225 A N -0.847 121.975 122.820 0.004 0.000 2.281 1225 A HA 0.383 4.703 4.320 0.000 0.000 0.231 1225 A C 1.559 179.198 177.584 0.092 0.000 1.317 1225 A CA 0.581 52.676 52.037 0.097 0.000 0.959 1225 A CB -1.754 17.400 19.000 0.258 0.000 0.900 1225 A HN 0.277 nan 8.150 nan 0.000 0.497 1226 G N -0.316 108.519 108.800 0.058 0.000 2.244 1226 G HA2 -0.312 3.648 3.960 0.000 0.000 0.274 1226 G HA3 -0.312 3.648 3.960 0.000 0.000 0.274 1226 G C 0.439 175.400 174.900 0.102 0.000 1.002 1226 G CA 0.919 46.060 45.100 0.068 0.000 0.740 1226 G HN 0.507 nan 8.290 nan 0.000 0.516 1227 K N -0.064 120.418 120.400 0.136 0.000 2.118 1227 K HA 0.636 4.956 4.320 0.000 0.000 0.240 1227 K C 0.432 177.148 176.600 0.193 0.000 1.035 1227 K CA -0.170 56.219 56.287 0.169 0.000 0.899 1227 K CB 0.860 33.492 32.500 0.221 0.000 1.085 1227 K HN 0.141 nan 8.250 nan 0.000 0.498 1228 S N -0.439 115.365 115.700 0.173 0.000 2.568 1228 S HA 0.507 4.977 4.470 0.000 0.000 0.293 1228 S C -0.866 173.769 174.600 0.058 0.000 1.089 1228 S CA -0.624 57.654 58.200 0.130 0.000 0.945 1228 S CB 1.931 65.185 63.200 0.090 0.000 1.077 1228 S HN 0.452 nan 8.310 nan 0.000 0.485 1229 T N 1.802 116.282 114.554 -0.124 0.000 2.881 1229 T HA 0.620 4.970 4.350 0.000 0.000 0.290 1229 T C -1.105 173.519 174.700 -0.127 0.000 1.000 1229 T CA -0.391 61.592 62.100 -0.194 0.000 0.978 1229 T CB 1.326 69.871 68.868 -0.539 0.000 0.997 1229 T HN 0.331 nan 8.240 nan 0.000 0.443 1230 V N 4.244 124.140 119.914 -0.031 0.000 2.735 1230 V HA 0.616 4.736 4.120 0.000 0.000 0.310 1230 V C -0.583 175.539 176.094 0.046 0.000 1.061 1230 V CA -0.831 61.469 62.300 -0.001 0.000 0.913 1230 V CB 2.042 33.865 31.823 0.001 0.000 1.005 1230 V HN 0.856 nan 8.190 nan 0.000 0.428 1231 M N 3.654 123.287 119.600 0.054 0.000 2.067 1231 M HA 0.462 4.942 4.480 0.000 0.000 0.286 1231 M C -0.751 175.666 176.300 0.195 0.000 0.922 1231 M CA -0.234 55.173 55.300 0.178 0.000 0.937 1231 M CB 1.895 34.419 32.600 -0.126 0.000 1.550 1231 M HN 0.616 nan 8.290 nan 0.000 0.433 1232 E N 1.029 121.367 120.200 0.229 0.000 2.191 1232 E HA 0.618 4.968 4.350 0.000 0.000 0.278 1232 E C 0.764 177.581 176.600 0.362 0.000 0.972 1232 E CA -0.078 56.417 56.400 0.158 0.000 0.804 1232 E CB 1.742 31.344 29.700 -0.164 0.000 1.110 1232 E HN 0.963 nan 8.360 nan 0.000 0.394 1233 G N 2.501 111.528 108.800 0.378 0.000 2.195 1233 G HA2 -0.256 3.704 3.960 0.000 0.000 0.224 1233 G HA3 -0.256 3.704 3.960 0.000 0.000 0.224 1233 G C 0.250 175.234 174.900 0.140 0.000 0.990 1233 G CA -0.525 44.724 45.100 0.247 0.000 0.639 1233 G HN 0.463 nan 8.290 nan 0.000 0.514 1234 L N 3.071 124.399 121.223 0.174 0.000 2.536 1234 L HA 0.252 4.592 4.340 0.000 0.000 0.282 1234 L C 1.150 178.068 176.870 0.081 0.000 1.174 1234 L CA -0.343 54.566 54.840 0.114 0.000 0.989 1234 L CB 0.098 42.237 42.059 0.135 0.000 1.311 1234 L HN 0.452 nan 8.230 nan 0.000 0.455 1235 E N 4.389 124.599 120.200 0.017 0.000 2.383 1235 E HA -0.012 4.338 4.350 0.000 0.000 0.264 1235 E C -0.136 176.378 176.600 -0.143 0.000 1.050 1235 E CA -0.429 55.952 56.400 -0.032 0.000 0.896 1235 E CB 0.696 30.379 29.700 -0.029 0.000 0.982 1235 E HN 0.400 nan 8.360 nan 0.000 0.424 1236 R N 1.792 122.105 120.500 -0.311 0.000 4.779 1236 R HA 0.098 4.438 4.340 0.000 0.000 0.217 1236 R C 0.221 176.436 176.300 -0.142 0.000 1.934 1236 R CA -0.104 55.702 56.100 -0.491 0.000 1.623 1236 R CB -0.273 29.567 30.300 -0.767 0.000 1.364 1236 R HN 0.610 nan 8.270 nan 0.000 0.799 1237 S N -0.710 114.969 115.700 -0.033 0.000 2.634 1237 S HA 0.206 4.676 4.470 0.000 0.000 0.261 1237 S C -1.506 173.128 174.600 0.057 0.000 1.271 1237 S CA -1.237 56.967 58.200 0.008 0.000 0.985 1237 S CB 0.811 64.022 63.200 0.018 0.000 0.968 1237 S HN -0.055 nan 8.310 nan 0.000 0.568 1238 P HA -0.155 nan 4.420 nan 0.000 0.217 1238 P C 1.611 178.960 177.300 0.082 0.000 1.151 1238 P CA 2.129 65.266 63.100 0.062 0.000 0.849 1238 P CB -0.361 31.369 31.700 0.050 0.000 0.787 1239 A N -1.455 121.414 122.820 0.083 0.000 1.986 1239 A HA -0.230 4.090 4.320 0.000 0.000 0.220 1239 A C 2.043 179.661 177.584 0.057 0.000 1.171 1239 A CA 1.410 53.500 52.037 0.088 0.000 0.640 1239 A CB -1.905 17.142 19.000 0.079 0.000 0.811 1239 A HN 0.168 nan 8.150 nan 0.000 0.451 1240 F N 0.495 120.389 119.950 -0.094 0.000 2.333 1240 F HA -0.115 4.412 4.527 0.000 0.000 0.300 1240 F C 1.814 177.568 175.800 -0.077 0.000 1.083 1240 F CA 1.171 59.083 58.000 -0.147 0.000 1.395 1240 F CB -0.162 38.727 39.000 -0.185 0.000 1.056 1240 F HN 0.208 nan 8.300 nan 0.000 0.529 1241 I N -0.353 120.245 120.570 0.046 0.000 2.361 1241 I HA -0.316 3.854 4.170 0.000 0.000 0.251 1241 I C 2.616 178.718 176.117 -0.025 0.000 1.133 1241 I CA 1.008 62.321 61.300 0.021 0.000 1.413 1241 I CB -0.878 37.153 38.000 0.052 0.000 1.073 1241 I HN 0.184 nan 8.210 nan 0.000 0.424 1242 A N 1.301 124.122 122.820 0.002 0.000 1.902 1242 A HA -0.168 4.152 4.320 0.000 0.000 0.217 1242 A C 2.283 179.886 177.584 0.031 0.000 1.181 1242 A CA 1.428 53.505 52.037 0.067 0.000 0.623 1242 A CB -0.761 18.358 19.000 0.199 0.000 0.818 1242 A HN 0.380 nan 8.150 nan 0.000 0.443 1243 I N -0.397 120.099 120.570 -0.125 0.000 2.264 1243 I HA -0.311 3.859 4.170 0.000 0.000 0.248 1243 I C 2.455 178.452 176.117 -0.201 0.000 1.111 1243 I CA 1.709 62.862 61.300 -0.245 0.000 1.382 1243 I CB -0.289 37.260 38.000 -0.752 0.000 1.060 1243 I HN 0.325 nan 8.210 nan 0.000 0.418 1244 K N 0.709 120.993 120.400 -0.194 0.000 2.007 1244 K HA -0.141 4.179 4.320 0.000 0.000 0.206 1244 K C 1.978 178.570 176.600 -0.013 0.000 1.047 1244 K CA 1.256 57.522 56.287 -0.036 0.000 0.937 1244 K CB -0.225 32.286 32.500 0.018 0.000 0.718 1244 K HN 0.307 nan 8.250 nan 0.000 0.438 1245 E N 1.049 121.242 120.200 -0.012 0.000 2.219 1245 E HA -0.171 4.179 4.350 0.000 0.000 0.198 1245 E C 1.313 177.909 176.600 -0.007 0.000 0.998 1245 E CA 1.076 57.475 56.400 -0.001 0.000 0.818 1245 E CB 0.091 29.796 29.700 0.009 0.000 0.741 1245 E HN 0.214 nan 8.360 nan 0.000 0.477 1246 K N -0.525 119.870 120.400 -0.009 0.000 2.404 1246 K HA 0.077 4.397 4.320 0.000 0.000 0.194 1246 K C 0.860 177.443 176.600 -0.029 0.000 1.023 1246 K CA 0.431 56.708 56.287 -0.017 0.000 1.094 1246 K CB 0.745 33.242 32.500 -0.005 0.000 0.841 1246 K HN 0.183 nan 8.250 nan 0.000 0.523 1247 G N 2.548 111.332 108.800 -0.027 0.000 2.258 1247 G HA2 -0.276 3.684 3.960 0.000 0.000 0.274 1247 G HA3 -0.276 3.684 3.960 0.000 0.000 0.274 1247 G C 0.175 175.046 174.900 -0.049 0.000 1.021 1247 G CA 0.027 45.107 45.100 -0.032 0.000 0.798 1247 G HN 0.319 nan 8.290 nan 0.000 0.507 1248 I N 2.314 122.840 120.570 -0.073 0.000 2.598 1248 I HA 0.131 4.301 4.170 0.000 0.000 0.284 1248 I C -1.011 175.068 176.117 -0.063 0.000 1.140 1248 I CA -1.511 59.705 61.300 -0.139 0.000 1.420 1248 I CB 0.669 38.437 38.000 -0.385 0.000 1.387 1248 I HN 0.032 nan 8.210 nan 0.000 0.553 1249 P HA 0.110 nan 4.420 nan 0.000 0.271 1249 P C -1.404 175.971 177.300 0.125 0.000 1.220 1249 P CA 0.371 63.459 63.100 -0.020 0.000 0.768 1249 P CB 0.488 32.192 31.700 0.007 0.000 0.848 1250 Y N -1.334 119.005 120.300 0.065 0.000 2.702 1250 Y HA 0.579 5.129 4.550 0.000 0.000 0.336 1250 Y C -1.588 174.399 175.900 0.146 0.000 1.203 1250 Y CA -1.300 56.898 58.100 0.164 0.000 1.072 1250 Y CB 0.930 39.525 38.460 0.225 0.000 1.327 1250 Y HN 0.288 nan 8.280 nan 0.000 0.456 1251 E N 1.637 122.035 120.200 0.330 0.000 2.218 1251 E HA 0.294 4.644 4.350 0.000 0.000 0.263 1251 E C -2.112 174.575 176.600 0.146 0.000 0.879 1251 E CA -0.900 55.572 56.400 0.119 0.000 0.762 1251 E CB 2.174 31.926 29.700 0.086 0.000 1.166 1251 E HN 0.607 nan 8.360 nan 0.000 0.415 1252 Y N 2.711 122.979 120.300 -0.053 0.000 2.313 1252 Y HA 0.321 4.871 4.550 0.000 0.000 0.332 1252 Y C -1.104 174.535 175.900 -0.434 0.000 1.071 1252 Y CA -0.083 57.978 58.100 -0.065 0.000 1.169 1252 Y CB 0.588 39.108 38.460 0.100 0.000 1.192 1252 Y HN 0.447 nan 8.280 nan 0.000 0.487 1253 Y N 2.182 122.338 120.300 -0.239 0.000 2.545 1253 Y HA 0.671 5.221 4.550 0.000 0.000 0.348 1253 Y C 0.462 176.254 175.900 -0.181 0.000 1.002 1253 Y CA -1.160 56.872 58.100 -0.115 0.000 1.039 1253 Y CB 1.788 40.199 38.460 -0.083 0.000 1.271 1253 Y HN 0.688 nan 8.280 nan 0.000 0.467 1254 G N 0.388 109.262 108.800 0.124 0.000 2.552 1254 G HA2 0.165 4.125 3.960 0.000 0.000 0.324 1254 G HA3 0.165 4.125 3.960 0.000 0.000 0.324 1254 G C 0.216 175.156 174.900 0.067 0.000 1.217 1254 G CA -0.790 44.356 45.100 0.076 0.000 0.989 1254 G HN 0.666 nan 8.290 nan 0.000 0.490 1255 N N -0.445 118.282 118.700 0.046 0.000 2.272 1255 N HA -0.091 4.649 4.740 0.000 0.000 0.185 1255 N C 2.093 177.622 175.510 0.032 0.000 1.014 1255 N CA 0.706 53.777 53.050 0.035 0.000 0.870 1255 N CB 0.116 38.623 38.487 0.032 0.000 0.975 1255 N HN 0.453 nan 8.380 nan 0.000 0.433 1256 R N 0.619 121.144 120.500 0.041 0.000 2.246 1256 R HA 0.087 4.427 4.340 0.000 0.000 0.199 1256 R C 0.743 177.073 176.300 0.050 0.000 0.984 1256 R CA 0.507 56.630 56.100 0.038 0.000 1.015 1256 R CB 0.245 30.566 30.300 0.036 0.000 0.930 1256 R HN 0.338 nan 8.270 nan 0.000 0.475 1257 E N 0.479 120.727 120.200 0.080 0.000 2.499 1257 E HA 0.064 4.414 4.350 0.000 0.000 0.199 1257 E C 1.002 177.665 176.600 0.104 0.000 1.016 1257 E CA -0.136 56.338 56.400 0.124 0.000 0.933 1257 E CB 0.355 30.173 29.700 0.197 0.000 1.050 1257 E HN 0.261 nan 8.360 nan 0.000 0.462 1258 I N 1.328 121.910 120.570 0.019 0.000 3.241 1258 I HA -0.189 3.981 4.170 0.000 0.000 0.280 1258 I C 0.736 176.778 176.117 -0.125 0.000 1.320 1258 I CA 0.967 62.215 61.300 -0.087 0.000 1.413 1258 I CB 0.189 38.151 38.000 -0.064 0.000 1.060 1258 I HN 0.069 nan 8.210 nan 0.000 0.500 1259 D N 0.707 121.074 120.400 -0.055 0.000 2.240 1259 D HA -0.064 4.576 4.640 0.000 0.000 0.206 1259 D C 1.664 177.938 176.300 -0.044 0.000 0.963 1259 D CA 0.463 54.436 54.000 -0.045 0.000 0.863 1259 D CB 0.062 40.858 40.800 -0.006 0.000 0.973 1259 D HN 0.283 nan 8.370 nan 0.000 0.501 1260 K N 0.669 121.072 120.400 0.005 0.000 2.504 1260 K HA 0.045 4.365 4.320 0.000 0.000 0.195 1260 K C 1.101 177.705 176.600 0.006 0.000 1.036 1260 K CA -0.172 56.167 56.287 0.086 0.000 0.984 1260 K CB -0.096 32.546 32.500 0.237 0.000 0.788 1260 K HN 0.239 nan 8.250 nan 0.000 0.488 1261 M N 1.940 121.299 119.600 -0.402 0.000 2.261 1261 M HA -0.098 4.382 4.480 0.000 0.000 0.350 1261 M C 0.059 176.222 176.300 -0.228 0.000 1.343 1261 M CA 0.678 55.507 55.300 -0.785 0.000 1.003 1261 M CB 0.041 32.169 32.600 -0.787 0.000 1.848 1261 M HN 0.034 nan 8.290 nan 0.000 0.456 1262 N N 5.362 124.028 118.700 -0.056 0.000 2.469 1262 N HA 0.240 4.980 4.740 0.000 0.000 0.239 1262 N C -0.424 175.099 175.510 0.021 0.000 1.053 1262 N CA -0.449 52.623 53.050 0.038 0.000 0.937 1262 N CB 0.457 39.018 38.487 0.123 0.000 1.163 1262 N HN 0.731 nan 8.380 nan 0.000 0.509 1263 L N 2.804 124.026 121.223 -0.002 0.000 2.851 1263 L HA 0.337 4.677 4.340 0.000 0.000 0.237 1263 L C 0.984 177.875 176.870 0.035 0.000 1.257 1263 L CA -0.450 54.395 54.840 0.010 0.000 1.061 1263 L CB -0.368 41.684 42.059 -0.012 0.000 1.372 1263 L HN 0.449 nan 8.230 nan 0.000 0.493 1264 A N 0.361 123.210 122.820 0.048 0.000 2.251 1264 A HA 0.618 4.938 4.320 0.000 0.000 0.278 1264 A C -2.280 175.346 177.584 0.069 0.000 1.206 1264 A CA -0.990 51.078 52.037 0.052 0.000 0.822 1264 A CB -0.152 18.878 19.000 0.050 0.000 1.187 1264 A HN 0.029 nan 8.150 nan 0.000 0.504 1265 P HA 0.132 nan 4.420 nan 0.000 0.276 1265 P C -0.373 176.971 177.300 0.073 0.000 1.261 1265 P CA -0.568 62.574 63.100 0.070 0.000 0.800 1265 P CB 0.231 31.962 31.700 0.051 0.000 1.066 1266 N N 1.419 120.162 118.700 0.071 0.000 2.726 1266 N HA -0.229 4.511 4.740 0.000 0.000 0.287 1266 N C -0.803 174.751 175.510 0.072 0.000 1.052 1266 N CA 0.948 54.027 53.050 0.048 0.000 0.805 1266 N CB -0.422 38.072 38.487 0.012 0.000 0.944 1266 N HN 0.347 nan 8.380 nan 0.000 0.574 1267 Q N 0.799 120.682 119.800 0.138 0.000 2.528 1267 Q HA 0.617 4.957 4.340 0.000 0.000 0.289 1267 Q C -2.387 173.780 176.000 0.278 0.000 1.091 1267 Q CA -1.266 54.633 55.803 0.160 0.000 0.797 1267 Q CB 2.295 31.123 28.738 0.150 0.000 1.466 1267 Q HN 0.311 nan 8.270 nan 0.000 0.436 1268 P HA 0.263 nan 4.420 nan 0.000 0.281 1268 P C -1.014 176.499 177.300 0.355 0.000 1.264 1268 P CA -0.365 62.953 63.100 0.363 0.000 0.824 1268 P CB 0.624 32.447 31.700 0.206 0.000 1.092 1269 A N 2.225 125.257 122.820 0.353 0.000 2.566 1269 A HA 0.032 4.352 4.320 0.000 0.000 0.245 1269 A C 0.510 178.249 177.584 0.259 0.000 1.056 1269 A CA 0.248 52.372 52.037 0.146 0.000 0.757 1269 A CB -0.641 18.538 19.000 0.298 0.000 0.979 1269 A HN 0.394 nan 8.150 nan 0.000 0.508 1270 Q N 1.762 121.664 119.800 0.170 0.000 2.274 1270 Q HA 0.414 4.754 4.340 0.000 0.000 0.256 1270 Q C -0.492 175.637 176.000 0.215 0.000 0.927 1270 Q CA -0.190 55.782 55.803 0.283 0.000 0.939 1270 Q CB 1.358 30.195 28.738 0.166 0.000 1.201 1270 Q HN 0.563 nan 8.270 nan 0.000 0.426 1271 I N 3.739 124.470 120.570 0.268 0.000 2.378 1271 I HA 0.312 4.482 4.170 0.000 0.000 0.291 1271 I C -0.220 175.806 176.117 -0.151 0.000 0.992 1271 I CA -1.053 60.292 61.300 0.074 0.000 1.154 1271 I CB 1.075 39.163 38.000 0.147 0.000 1.315 1271 I HN 0.415 nan 8.210 nan 0.000 0.448 1272 L N 7.209 128.359 121.223 -0.122 0.000 2.317 1272 L HA 0.553 4.893 4.340 0.000 0.000 0.281 1272 L C 0.011 176.781 176.870 -0.166 0.000 1.024 1272 L CA -0.098 54.648 54.840 -0.157 0.000 0.810 1272 L CB 1.117 43.155 42.059 -0.036 0.000 1.240 1272 L HN 0.659 nan 8.230 nan 0.000 0.427 1273 D N 2.412 122.691 120.400 -0.202 0.000 2.430 1273 D HA 0.070 4.710 4.640 0.000 0.000 0.285 1273 D C -0.237 176.090 176.300 0.044 0.000 1.210 1273 D CA -0.440 53.545 54.000 -0.025 0.000 1.080 1273 D CB -0.249 40.603 40.800 0.087 0.000 1.134 1273 D HN 0.640 nan 8.370 nan 0.000 0.562 1274 C N 0.964 120.265 119.300 0.002 0.000 2.106 1274 C HA 0.136 4.596 4.460 0.000 0.000 0.402 1274 C C 0.015 174.975 174.990 -0.051 0.000 1.548 1274 C CA -0.172 58.790 59.018 -0.093 0.000 1.432 1274 C CB -2.582 25.104 27.740 -0.090 0.000 2.584 1274 C HN 0.479 nan 8.230 nan 0.000 0.604 1275 Y N 3.133 123.398 120.300 -0.058 0.000 2.567 1275 Y HA 0.815 5.365 4.550 0.000 0.000 0.333 1275 Y C -0.174 175.663 175.900 -0.103 0.000 1.106 1275 Y CA -2.391 55.665 58.100 -0.073 0.000 1.157 1275 Y CB 0.353 38.769 38.460 -0.074 0.000 1.277 1275 Y HN 0.391 nan 8.280 nan 0.000 0.490 1276 I N 3.251 123.929 120.570 0.179 0.000 2.471 1276 I HA -0.007 4.163 4.170 0.000 0.000 0.286 1276 I C 1.380 177.585 176.117 0.147 0.000 1.079 1276 I CA 0.127 61.459 61.300 0.054 0.000 1.398 1276 I CB 0.872 38.889 38.000 0.028 0.000 1.403 1276 I HN 0.966 nan 8.210 nan 0.000 0.530 1277 N N 3.959 122.637 118.700 -0.037 0.000 2.104 1277 N HA -0.197 4.543 4.740 0.000 0.000 0.190 1277 N C 1.658 177.152 175.510 -0.027 0.000 1.024 1277 N CA 2.046 55.090 53.050 -0.010 0.000 0.853 1277 N CB 0.431 38.772 38.487 -0.244 0.000 1.008 1277 N HN 0.735 nan 8.380 nan 0.000 0.424 1278 S N 0.648 116.341 115.700 -0.011 0.000 2.348 1278 S HA -0.130 4.340 4.470 0.000 0.000 0.221 1278 S C 1.776 176.364 174.600 -0.019 0.000 1.033 1278 S CA 1.044 59.260 58.200 0.028 0.000 1.010 1278 S CB -0.703 62.573 63.200 0.127 0.000 0.891 1278 S HN 0.389 nan 8.310 nan 0.000 0.442 1279 E N 0.724 120.930 120.200 0.009 0.000 2.097 1279 E HA -0.153 4.197 4.350 0.000 0.000 0.196 1279 E C 2.163 178.707 176.600 -0.093 0.000 1.000 1279 E CA 1.351 57.747 56.400 -0.007 0.000 0.804 1279 E CB -0.260 29.443 29.700 0.005 0.000 0.740 1279 E HN 0.410 nan 8.360 nan 0.000 0.454 1280 M N 0.728 120.238 119.600 -0.152 0.000 2.117 1280 M HA -0.161 4.319 4.480 0.000 0.000 0.262 1280 M C 2.048 178.173 176.300 -0.291 0.000 1.065 1280 M CA 1.520 56.635 55.300 -0.308 0.000 1.114 1280 M CB -0.401 31.868 32.600 -0.551 0.000 1.361 1280 M HN 0.164 nan 8.290 nan 0.000 0.408 1281 L N 0.122 121.127 121.223 -0.363 0.000 2.127 1281 L HA -0.224 4.116 4.340 0.000 0.000 0.211 1281 L C 2.444 179.057 176.870 -0.429 0.000 1.089 1281 L CA 1.496 55.998 54.840 -0.563 0.000 0.757 1281 L CB -0.715 40.625 42.059 -1.200 0.000 0.899 1281 L HN 0.316 nan 8.230 nan 0.000 0.434 1282 E N 0.846 120.909 120.200 -0.229 0.000 2.015 1282 E HA -0.194 4.156 4.350 0.000 0.000 0.191 1282 E C 2.236 178.829 176.600 -0.013 0.000 0.991 1282 E CA 1.469 57.906 56.400 0.061 0.000 0.802 1282 E CB -0.074 29.709 29.700 0.139 0.000 0.759 1282 E HN 0.204 nan 8.360 nan 0.000 0.447 1283 R N -0.635 119.826 120.500 -0.065 0.000 2.127 1283 R HA -0.147 4.193 4.340 0.000 0.000 0.238 1283 R C 2.331 178.585 176.300 -0.076 0.000 1.134 1283 R CA 1.645 57.702 56.100 -0.071 0.000 0.975 1283 R CB -0.364 29.875 30.300 -0.102 0.000 0.865 1283 R HN 0.283 nan 8.270 nan 0.000 0.447 1284 M N 0.695 120.230 119.600 -0.108 0.000 2.156 1284 M HA -0.096 4.384 4.480 0.000 0.000 0.264 1284 M C 2.099 178.348 176.300 -0.084 0.000 1.067 1284 M CA 1.811 57.053 55.300 -0.097 0.000 1.131 1284 M CB -0.113 32.412 32.600 -0.126 0.000 1.368 1284 M HN 0.070 nan 8.290 nan 0.000 0.416 1285 S N -0.490 115.164 115.700 -0.076 0.000 2.440 1285 S HA -0.161 4.309 4.470 0.000 0.000 0.240 1285 S C 1.416 175.963 174.600 -0.089 0.000 1.014 1285 S CA 1.231 59.381 58.200 -0.083 0.000 0.980 1285 S CB -0.792 62.417 63.200 0.016 0.000 0.775 1285 S HN 0.626 nan 8.310 nan 0.000 0.499 1286 K N 1.280 121.647 120.400 -0.054 0.000 2.681 1286 K HA 0.353 4.673 4.320 0.000 0.000 0.211 1286 K C -0.746 175.827 176.600 -0.046 0.000 1.075 1286 K CA -0.141 56.118 56.287 -0.047 0.000 1.141 1286 K CB 0.730 33.215 32.500 -0.025 0.000 0.896 1286 K HN 0.142 nan 8.250 nan 0.000 0.470 1287 S N -0.271 115.397 115.700 -0.053 0.000 2.519 1287 S HA 0.243 4.713 4.470 0.000 0.000 0.309 1287 S C 1.148 175.710 174.600 -0.064 0.000 1.100 1287 S CA -0.851 57.333 58.200 -0.026 0.000 1.059 1287 S CB 1.777 64.981 63.200 0.007 0.000 1.008 1287 S HN 0.452 nan 8.310 nan 0.000 0.478 1288 G N 2.202 110.961 108.800 -0.069 0.000 2.529 1288 G HA2 -0.100 3.860 3.960 0.000 0.000 0.219 1288 G HA3 -0.100 3.860 3.960 0.000 0.000 0.219 1288 G C -0.086 174.518 174.900 -0.494 0.000 1.177 1288 G CA 1.278 46.210 45.100 -0.279 0.000 0.773 1288 G HN 0.531 nan 8.290 nan 0.000 0.573 1289 F N -0.863 119.108 119.950 0.036 0.000 2.565 1289 F HA 0.637 5.164 4.527 -0.000 0.000 0.313 1289 F C 0.361 176.154 175.800 -0.012 0.000 1.091 1289 F CA -0.956 57.036 58.000 -0.014 0.000 0.915 1289 F CB 2.218 41.191 39.000 -0.045 0.000 1.208 1289 F HN 0.154 nan 8.300 nan 0.000 0.453 1290 G N 1.494 110.283 108.800 -0.019 0.000 2.470 1290 G HA2 0.576 4.536 3.960 0.000 0.000 0.320 1290 G HA3 0.576 4.536 3.960 0.000 0.000 0.320 1290 G C -2.089 172.759 174.900 -0.087 0.000 1.245 1290 G CA -0.504 44.616 45.100 0.032 0.000 0.935 1290 G HN 0.492 nan 8.290 nan 0.000 0.476 1291 Y N 1.027 121.407 120.300 0.133 0.000 2.352 1291 Y HA 0.526 5.076 4.550 -0.000 0.000 0.339 1291 Y C 0.370 176.255 175.900 -0.025 0.000 0.992 1291 Y CA -0.833 57.351 58.100 0.140 0.000 1.100 1291 Y CB 2.519 41.124 38.460 0.241 0.000 1.192 1291 Y HN 0.294 nan 8.280 nan 0.000 0.458 1292 Q N 4.789 124.725 119.800 0.227 0.000 2.695 1292 Q HA 0.333 4.673 4.340 0.000 0.000 0.246 1292 Q C -1.341 174.768 176.000 0.180 0.000 0.961 1292 Q CA -0.214 55.590 55.803 0.002 0.000 0.708 1292 Q CB 1.135 29.851 28.738 -0.037 0.000 1.282 1292 Q HN 0.942 nan 8.270 nan 0.000 0.482 1293 L N 1.342 122.651 121.223 0.143 0.000 3.073 1293 L HA 0.362 4.702 4.340 0.000 0.000 0.242 1293 L C 0.377 177.270 176.870 0.039 0.000 1.317 1293 L CA -0.320 54.674 54.840 0.256 0.000 1.081 1293 L CB 0.513 42.705 42.059 0.221 0.000 1.456 1293 L HN 0.191 nan 8.230 nan 0.000 0.525 1294 S N 1.187 116.915 115.700 0.046 0.000 2.549 1294 S HA 0.260 4.730 4.470 0.000 0.000 0.279 1294 S C 0.474 175.062 174.600 -0.021 0.000 1.321 1294 S CA -0.222 58.008 58.200 0.049 0.000 1.054 1294 S CB 0.628 63.907 63.200 0.132 0.000 0.899 1294 S HN 0.385 nan 8.310 nan 0.000 0.497 1295 K N 2.722 123.046 120.400 -0.127 0.000 3.022 1295 K HA 0.337 4.657 4.320 0.000 0.000 0.178 1295 K C -0.831 175.738 176.600 -0.053 0.000 1.089 1295 K CA -0.199 55.925 56.287 -0.271 0.000 0.916 1295 K CB 0.365 32.385 32.500 -0.802 0.000 1.159 1295 K HN 0.410 nan 8.250 nan 0.000 0.592 1296 L N 1.251 122.450 121.223 -0.039 0.000 2.439 1296 L HA 0.125 4.465 4.340 0.000 0.000 0.269 1296 L C 0.712 177.510 176.870 -0.120 0.000 1.179 1296 L CA -0.427 54.306 54.840 -0.177 0.000 0.828 1296 L CB 0.472 42.324 42.059 -0.345 0.000 1.106 1296 L HN 0.530 nan 8.230 nan 0.000 0.467 1297 N N 2.090 120.698 118.700 -0.153 0.000 2.483 1297 N HA -0.075 4.665 4.740 0.000 0.000 0.264 1297 N C 0.631 175.950 175.510 -0.318 0.000 1.197 1297 N CA 0.318 53.235 53.050 -0.221 0.000 0.927 1297 N CB 1.125 39.435 38.487 -0.295 0.000 1.065 1297 N HN 0.608 nan 8.380 nan 0.000 0.461 1298 Q N 2.963 122.635 119.800 -0.214 0.000 2.449 1298 Q HA -0.178 4.162 4.340 0.000 0.000 0.214 1298 Q C 0.943 176.794 176.000 -0.248 0.000 0.986 1298 Q CA 1.357 57.051 55.803 -0.181 0.000 0.893 1298 Q CB 0.281 28.956 28.738 -0.105 0.000 0.940 1298 Q HN 0.554 nan 8.270 nan 0.000 0.477 1299 K N -0.383 119.748 120.400 -0.449 0.000 2.002 1299 K HA -0.174 4.146 4.320 0.000 0.000 0.209 1299 K C 1.215 177.639 176.600 -0.294 0.000 1.048 1299 K CA 1.640 57.666 56.287 -0.437 0.000 0.930 1299 K CB -0.166 31.933 32.500 -0.667 0.000 0.714 1299 K HN 0.357 nan 8.250 nan 0.000 0.438 1300 Y N 0.982 121.234 120.300 -0.079 0.000 2.462 1300 Y HA 0.214 4.764 4.550 0.000 0.000 0.293 1300 Y C 0.374 176.210 175.900 -0.107 0.000 1.195 1300 Y CA -0.164 57.889 58.100 -0.078 0.000 1.276 1300 Y CB -0.584 37.795 38.460 -0.135 0.000 1.082 1300 Y HN -0.117 nan 8.280 nan 0.000 0.514 1301 L N 0.876 122.073 121.223 -0.043 0.000 2.282 1301 L HA 0.371 4.711 4.340 0.000 0.000 0.288 1301 L C 0.486 177.346 176.870 -0.015 0.000 1.033 1301 L CA -0.005 54.808 54.840 -0.045 0.000 0.807 1301 L CB 1.889 43.906 42.059 -0.071 0.000 1.209 1301 L HN 0.187 nan 8.230 nan 0.000 0.423 1302 Q N 1.482 121.283 119.800 0.002 0.000 1.914 1302 Q HA 0.282 4.622 4.340 0.000 0.000 0.153 1302 Q C 0.879 176.896 176.000 0.028 0.000 0.517 1302 Q CA -0.177 55.634 55.803 0.013 0.000 0.790 1302 Q CB 0.818 29.567 28.738 0.018 0.000 0.992 1302 Q HN 0.556 nan 8.270 nan 0.000 0.318 1303 R N -0.654 119.859 120.500 0.022 0.000 2.544 1303 R HA 0.385 4.725 4.340 0.000 0.000 0.303 1303 R C -0.449 175.886 176.300 0.058 0.000 0.939 1303 R CA 0.032 56.174 56.100 0.071 0.000 1.102 1303 R CB 1.571 31.872 30.300 0.001 0.000 1.440 1303 R HN -0.022 nan 8.270 nan 0.000 0.532 1304 S N 2.149 117.836 115.700 -0.021 0.000 2.455 1304 S HA 0.257 4.727 4.470 0.000 0.000 0.278 1304 S C 0.126 174.706 174.600 -0.034 0.000 1.216 1304 S CA -0.082 58.076 58.200 -0.070 0.000 1.055 1304 S CB 0.693 63.837 63.200 -0.095 0.000 0.939 1304 S HN 0.143 nan 8.310 nan 0.000 0.494 1305 L N 2.727 123.948 121.223 -0.004 0.000 2.448 1305 L HA 0.457 4.797 4.340 0.000 0.000 0.258 1305 L C 0.656 177.531 176.870 0.010 0.000 1.104 1305 L CA -0.738 54.116 54.840 0.023 0.000 0.800 1305 L CB 0.775 42.826 42.059 -0.013 0.000 1.241 1305 L HN 0.553 nan 8.230 nan 0.000 0.472 1306 E N -0.762 119.547 120.200 0.183 0.000 2.222 1306 E HA 0.136 4.486 4.350 0.000 0.000 0.272 1306 E C -0.024 176.519 176.600 -0.094 0.000 0.982 1306 E CA -0.483 55.894 56.400 -0.038 0.000 0.842 1306 E CB 1.263 30.943 29.700 -0.033 0.000 1.144 1306 E HN 0.364 nan 8.360 nan 0.000 0.397 1307 Y N 0.955 121.304 120.300 0.081 0.000 2.096 1307 Y HA -0.317 4.233 4.550 -0.000 0.000 0.278 1307 Y C 2.827 178.768 175.900 0.068 0.000 1.192 1307 Y CA 1.979 60.134 58.100 0.092 0.000 1.143 1307 Y CB -0.393 38.126 38.460 0.097 0.000 0.963 1307 Y HN 0.632 nan 8.280 nan 0.000 0.505 1308 T N -3.542 111.078 114.554 0.109 0.000 2.977 1308 T HA -0.199 4.151 4.350 0.000 0.000 0.271 1308 T C 1.287 175.993 174.700 0.011 0.000 1.105 1308 T CA 1.768 63.877 62.100 0.016 0.000 1.116 1308 T CB -0.618 68.171 68.868 -0.133 0.000 0.878 1308 T HN 0.521 nan 8.240 nan 0.000 0.509 1309 H N 0.764 119.814 119.070 -0.034 0.000 2.333 1309 H HA 0.240 4.796 4.556 0.000 0.000 0.302 1309 H C 2.082 177.513 175.328 0.171 0.000 1.075 1309 H CA 1.241 57.216 56.048 -0.121 0.000 1.348 1309 H CB -0.074 29.468 29.762 -0.367 0.000 1.393 1309 H HN 0.231 nan 8.280 nan 0.000 0.509 1310 L N 0.304 121.694 121.223 0.278 0.000 2.291 1310 L HA -0.075 4.265 4.340 0.000 0.000 0.214 1310 L C 1.632 178.663 176.870 0.268 0.000 1.120 1310 L CA 0.880 55.882 54.840 0.271 0.000 0.799 1310 L CB -0.178 42.013 42.059 0.221 0.000 0.925 1310 L HN 0.361 nan 8.230 nan 0.000 0.446 1311 E N 0.197 120.540 120.200 0.238 0.000 2.427 1311 E HA -0.062 4.288 4.350 0.000 0.000 0.196 1311 E C 2.181 178.871 176.600 0.150 0.000 1.028 1311 E CA 0.443 56.954 56.400 0.185 0.000 0.864 1311 E CB 0.207 29.988 29.700 0.136 0.000 0.813 1311 E HN 0.501 nan 8.360 nan 0.000 0.514 1312 L N -0.691 120.645 121.223 0.188 0.000 2.168 1312 L HA 0.074 4.414 4.340 0.000 0.000 0.203 1312 L C 2.425 179.371 176.870 0.128 0.000 1.078 1312 L CA 0.886 55.808 54.840 0.137 0.000 0.780 1312 L CB -0.278 41.896 42.059 0.192 0.000 0.939 1312 L HN 0.168 nan 8.230 nan 0.000 0.451 1313 G N -0.544 108.387 108.800 0.218 0.000 2.534 1313 G HA2 -0.056 3.904 3.960 0.000 0.000 0.217 1313 G HA3 -0.056 3.904 3.960 0.000 0.000 0.217 1313 G C 1.591 176.741 174.900 0.416 0.000 1.128 1313 G CA 0.778 46.024 45.100 0.242 0.000 0.784 1313 G HN 0.421 nan 8.290 nan 0.000 0.542 1314 A N 0.264 123.318 122.820 0.389 0.000 1.956 1314 A HA 0.059 4.379 4.320 0.000 0.000 0.212 1314 A C 2.482 180.347 177.584 0.469 0.000 1.188 1314 A CA 1.420 53.774 52.037 0.529 0.000 0.675 1314 A CB -0.777 18.467 19.000 0.406 0.000 0.845 1314 A HN 0.773 nan 8.150 nan 0.000 0.455 1315 C N -2.072 117.369 119.300 0.235 0.000 2.500 1315 C HA 0.472 4.933 4.460 0.000 0.000 0.273 1315 C C 1.637 176.565 174.990 -0.104 0.000 1.428 1315 C CA 0.106 59.203 59.018 0.132 0.000 1.766 1315 C CB -1.095 26.642 27.740 -0.005 0.000 1.817 1315 C HN 1.702 nan 8.230 nan 0.000 0.543 1316 G N 0.338 108.934 108.800 -0.341 0.000 2.392 1316 G HA2 0.093 4.053 3.960 0.000 0.000 0.215 1316 G HA3 0.093 4.053 3.960 0.000 0.000 0.215 1316 G C -0.189 174.269 174.900 -0.736 0.000 1.097 1316 G CA 0.309 44.700 45.100 -1.182 0.000 0.840 1316 G HN 0.987 nan 8.290 nan 0.000 0.492 1317 T N -0.547 113.750 114.554 -0.427 0.000 2.883 1317 T HA 0.671 5.021 4.350 0.000 0.000 0.296 1317 T C 0.045 174.551 174.700 -0.324 0.000 1.117 1317 T CA -0.837 61.080 62.100 -0.306 0.000 1.006 1317 T CB 1.087 69.850 68.868 -0.176 0.000 1.191 1317 T HN 0.361 nan 8.240 nan 0.000 0.508 1318 I N 3.841 124.214 120.570 -0.328 0.000 2.471 1318 I HA 0.309 4.479 4.170 0.000 0.000 0.286 1318 I C -2.213 173.740 176.117 -0.273 0.000 1.079 1318 I CA -2.572 58.533 61.300 -0.325 0.000 1.398 1318 I CB 0.736 38.557 38.000 -0.299 0.000 1.403 1318 I HN 0.443 nan 8.210 nan 0.000 0.530 1319 P HA 0.234 nan 4.420 nan 0.000 0.293 1319 P C -0.717 176.224 177.300 -0.598 0.000 1.313 1319 P CA -0.353 62.450 63.100 -0.496 0.000 0.787 1319 P CB 1.023 32.232 31.700 -0.819 0.000 0.910 1320 V N 5.311 125.013 119.914 -0.354 0.000 2.311 1320 V HA 0.367 4.487 4.120 0.000 0.000 0.275 1320 V C -0.181 176.013 176.094 0.166 0.000 1.022 1320 V CA -0.281 61.894 62.300 -0.208 0.000 0.830 1320 V CB -0.412 31.241 31.823 -0.282 0.000 1.012 1320 V HN 0.346 nan 8.190 nan 0.000 0.452 1321 F N 1.878 121.826 119.950 -0.004 0.000 2.483 1321 F HA 0.436 4.963 4.527 0.000 0.000 0.329 1321 F C 0.295 176.400 175.800 0.508 0.000 1.064 1321 F CA -2.275 55.872 58.000 0.245 0.000 0.986 1321 F CB 1.190 40.281 39.000 0.151 0.000 1.218 1321 F HN 0.522 nan 8.300 nan 0.000 0.484 1322 W N 4.051 125.698 121.300 0.578 0.000 2.308 1322 W HA 0.041 4.701 4.660 0.000 0.000 0.324 1322 W C 1.192 178.038 176.519 0.544 0.000 1.387 1322 W CA -0.186 57.444 57.345 0.474 0.000 1.250 1322 W CB 0.838 30.490 29.460 0.319 0.000 1.257 1322 W HN 0.729 nan 8.180 nan 0.000 0.554 1323 K N 2.600 123.017 120.400 0.030 0.000 2.044 1323 K HA -0.263 4.057 4.320 0.000 0.000 0.210 1323 K C 2.162 178.684 176.600 -0.129 0.000 1.049 1323 K CA 2.678 58.949 56.287 -0.026 0.000 0.927 1323 K CB -0.226 32.171 32.500 -0.171 0.000 0.713 1323 K HN 0.483 nan 8.250 nan 0.000 0.443 1324 S N -1.030 114.595 115.700 -0.125 0.000 2.481 1324 S HA -0.059 4.411 4.470 0.000 0.000 0.231 1324 S C 1.742 176.445 174.600 0.172 0.000 0.996 1324 S CA 1.268 59.513 58.200 0.074 0.000 0.942 1324 S CB -0.178 63.153 63.200 0.217 0.000 0.768 1324 S HN 0.295 nan 8.310 nan 0.000 0.520 1325 T N 1.876 116.634 114.554 0.340 0.000 2.851 1325 T HA 0.113 4.463 4.350 0.000 0.000 0.262 1325 T C 2.032 176.769 174.700 0.062 0.000 1.043 1325 T CA 1.220 63.467 62.100 0.243 0.000 1.140 1325 T CB -0.898 68.184 68.868 0.357 0.000 0.872 1325 T HN 0.615 nan 8.240 nan 0.000 0.446 1326 G N 1.395 110.156 108.800 -0.066 0.000 2.422 1326 G HA2 -0.162 3.798 3.960 0.000 0.000 0.218 1326 G HA3 -0.162 3.798 3.960 0.000 0.000 0.218 1326 G C 1.372 176.059 174.900 -0.354 0.000 1.146 1326 G CA 0.467 45.310 45.100 -0.428 0.000 0.769 1326 G HN 0.514 nan 8.290 nan 0.000 0.547 1327 E N 0.159 120.179 120.200 -0.299 0.000 2.338 1327 E HA -0.027 4.324 4.350 0.000 0.000 0.197 1327 E C 1.833 178.376 176.600 -0.095 0.000 1.007 1327 E CA 0.530 56.812 56.400 -0.197 0.000 0.849 1327 E CB -0.049 29.554 29.700 -0.161 0.000 0.774 1327 E HN 0.573 nan 8.360 nan 0.000 0.506 1328 N N -0.274 118.392 118.700 -0.058 0.000 2.348 1328 N HA 0.109 4.849 4.740 0.000 0.000 0.183 1328 N C 0.029 175.529 175.510 -0.016 0.000 1.094 1328 N CA -0.131 52.901 53.050 -0.029 0.000 0.885 1328 N CB 0.803 39.281 38.487 -0.015 0.000 1.065 1328 N HN -0.008 nan 8.380 nan 0.000 0.472 1329 L N 2.037 123.253 121.223 -0.012 0.000 2.334 1329 L HA 0.299 4.639 4.340 0.000 0.000 0.277 1329 L C -0.013 176.878 176.870 0.036 0.000 1.075 1329 L CA -0.381 54.466 54.840 0.012 0.000 0.804 1329 L CB 1.210 43.275 42.059 0.010 0.000 1.174 1329 L HN -0.097 nan 8.230 nan 0.000 0.438 1330 K N 2.149 122.591 120.400 0.071 0.000 2.118 1330 K HA 0.314 4.634 4.320 0.000 0.000 0.267 1330 K C -0.596 176.114 176.600 0.184 0.000 0.991 1330 K CA -0.602 55.755 56.287 0.117 0.000 0.916 1330 K CB 1.182 33.736 32.500 0.091 0.000 1.041 1330 K HN 0.193 nan 8.250 nan 0.000 0.455 1331 F N 2.558 122.522 119.950 0.023 0.000 2.429 1331 F HA 0.133 4.660 4.527 0.000 0.000 0.348 1331 F C 1.607 177.468 175.800 0.102 0.000 1.109 1331 F CA -0.732 57.253 58.000 -0.026 0.000 1.232 1331 F CB 0.873 39.808 39.000 -0.108 0.000 1.157 1331 F HN 0.523 nan 8.300 nan 0.000 0.564 1332 R N 3.037 123.322 120.500 -0.359 0.000 2.117 1332 R HA -0.111 4.229 4.340 0.000 0.000 0.243 1332 R C 1.333 177.310 176.300 -0.538 0.000 1.143 1332 R CA 2.178 57.986 56.100 -0.488 0.000 0.968 1332 R CB -0.287 29.645 30.300 -0.612 0.000 0.863 1332 R HN 0.651 nan 8.270 nan 0.000 0.444 1333 V N 1.243 120.626 119.914 -0.885 0.000 2.302 1333 V HA -0.164 3.956 4.120 0.000 0.000 0.243 1333 V C 1.404 177.436 176.094 -0.102 0.000 1.036 1333 V CA 2.132 64.174 62.300 -0.429 0.000 1.020 1333 V CB -0.357 31.262 31.823 -0.341 0.000 0.657 1333 V HN 0.566 nan 8.190 nan 0.000 0.453 1334 D N -1.738 118.716 120.400 0.091 0.000 2.389 1334 D HA 0.067 4.707 4.640 0.000 0.000 0.206 1334 D C 0.851 177.230 176.300 0.133 0.000 1.055 1334 D CA 0.328 54.423 54.000 0.158 0.000 0.856 1334 D CB -0.434 40.523 40.800 0.261 0.000 0.957 1334 D HN 0.413 nan 8.370 nan 0.000 0.509 1335 N N -0.374 118.403 118.700 0.129 0.000 2.815 1335 N HA -0.161 4.579 4.740 0.000 0.000 0.248 1335 N C -1.184 174.414 175.510 0.146 0.000 1.110 1335 N CA 1.180 54.293 53.050 0.105 0.000 0.699 1335 N CB -1.472 37.048 38.487 0.055 0.000 1.040 1335 N HN 0.531 nan 8.380 nan 0.000 0.555 1336 T N -3.252 111.451 114.554 0.248 0.000 2.924 1336 T HA 0.717 5.067 4.350 0.000 0.000 0.291 1336 T C -2.899 171.960 174.700 0.265 0.000 1.045 1336 T CA -2.027 60.210 62.100 0.228 0.000 1.015 1336 T CB 2.414 71.418 68.868 0.227 0.000 1.103 1336 T HN -0.147 nan 8.240 nan 0.000 0.496 1337 P HA 0.057 nan 4.420 nan 0.000 0.261 1337 P C 1.065 178.464 177.300 0.164 0.000 1.173 1337 P CA 0.044 63.196 63.100 0.087 0.000 0.760 1337 P CB 0.257 31.956 31.700 -0.002 0.000 0.783 1338 L N 2.340 123.610 121.223 0.078 0.000 2.131 1338 L HA -0.147 4.193 4.340 0.000 0.000 0.210 1338 L C 2.136 179.060 176.870 0.089 0.000 1.092 1338 L CA 1.965 56.900 54.840 0.158 0.000 0.759 1338 L CB -1.506 40.694 42.059 0.234 0.000 0.903 1338 L HN 0.440 nan 8.230 nan 0.000 0.435 1339 T N -3.282 111.123 114.554 -0.249 0.000 3.035 1339 T HA -0.073 4.277 4.350 0.000 0.000 0.268 1339 T C 1.396 176.021 174.700 -0.125 0.000 1.109 1339 T CA 0.759 62.585 62.100 -0.456 0.000 1.119 1339 T CB -0.384 68.009 68.868 -0.791 0.000 0.900 1339 T HN 0.389 nan 8.240 nan 0.000 0.503 1340 S N 0.670 116.368 115.700 -0.003 0.000 2.704 1340 S HA 0.411 4.881 4.470 0.000 0.000 0.241 1340 S C -0.610 173.890 174.600 -0.166 0.000 1.264 1340 S CA -0.871 57.296 58.200 -0.055 0.000 1.236 1340 S CB -0.625 62.529 63.200 -0.077 0.000 0.928 1340 S HN 0.631 nan 8.310 nan 0.000 0.492 1341 H N -0.349 118.614 119.070 -0.179 0.000 3.017 1341 H HA 0.488 5.044 4.556 0.000 0.000 0.346 1341 H C -1.551 173.604 175.328 -0.288 0.000 1.286 1341 H CA -0.816 55.062 56.048 -0.284 0.000 1.120 1341 H CB 1.084 30.513 29.762 -0.554 0.000 1.860 1341 H HN 0.268 nan 8.280 nan 0.000 0.542 1342 D N 0.221 120.528 120.400 -0.155 0.000 2.557 1342 D HA 0.144 4.784 4.640 0.000 0.000 0.236 1342 D C 0.382 176.538 176.300 -0.240 0.000 1.154 1342 D CA -0.143 53.768 54.000 -0.149 0.000 0.985 1342 D CB 0.226 40.974 40.800 -0.088 0.000 1.010 1342 D HN 0.504 nan 8.370 nan 0.000 0.516 1343 S N 1.208 116.674 115.700 -0.391 0.000 2.528 1343 S HA 0.193 4.663 4.470 0.000 0.000 0.219 1343 S C 1.920 176.379 174.600 -0.235 0.000 0.985 1343 S CA 0.217 58.135 58.200 -0.469 0.000 0.914 1343 S CB 0.012 62.698 63.200 -0.857 0.000 0.776 1343 S HN 0.613 nan 8.310 nan 0.000 0.526 1344 G N 1.169 109.846 108.800 -0.205 0.000 2.162 1344 G HA2 -0.250 3.710 3.960 0.000 0.000 0.260 1344 G HA3 -0.250 3.710 3.960 0.000 0.000 0.260 1344 G C 0.004 174.735 174.900 -0.281 0.000 0.976 1344 G CA 0.281 45.274 45.100 -0.179 0.000 0.655 1344 G HN 0.596 nan 8.290 nan 0.000 0.533 1345 I N 1.362 121.678 120.570 -0.423 0.000 2.396 1345 I HA 0.282 4.452 4.170 0.000 0.000 0.289 1345 I C 0.947 176.560 176.117 -0.840 0.000 1.056 1345 I CA -0.538 60.312 61.300 -0.752 0.000 1.365 1345 I CB 0.854 38.194 38.000 -1.099 0.000 1.407 1345 I HN 0.011 nan 8.210 nan 0.000 0.509 1346 I N 6.517 126.712 120.570 -0.625 0.000 2.363 1346 I HA 0.020 4.190 4.170 0.000 0.000 0.292 1346 I C -0.626 175.246 176.117 -0.409 0.000 1.075 1346 I CA -0.150 60.922 61.300 -0.379 0.000 1.333 1346 I CB 0.121 38.027 38.000 -0.155 0.000 1.415 1346 I HN 0.472 nan 8.210 nan 0.000 0.502 1347 W N 7.038 128.334 121.300 -0.007 0.000 2.387 1347 W HA 0.236 4.896 4.660 -0.000 0.000 0.310 1347 W C 0.141 176.680 176.519 0.034 0.000 1.181 1347 W CA -0.669 56.703 57.345 0.045 0.000 1.333 1347 W CB 0.250 29.713 29.460 0.006 0.000 1.286 1347 W HN 0.295 nan 8.180 nan 0.000 0.455 1348 F N 5.165 125.192 119.950 0.127 0.000 2.504 1348 F HA 0.092 4.619 4.527 0.000 0.000 0.369 1348 F C 0.253 175.939 175.800 -0.190 0.000 1.082 1348 F CA 0.070 58.056 58.000 -0.023 0.000 1.216 1348 F CB 0.357 39.385 39.000 0.045 0.000 1.108 1348 F HN 0.181 nan 8.300 nan 0.000 0.554 1349 D N 5.866 125.957 120.400 -0.516 0.000 2.425 1349 D HA 0.077 4.717 4.640 0.000 0.000 0.240 1349 D C 0.732 176.743 176.300 -0.483 0.000 1.080 1349 D CA -0.223 53.525 54.000 -0.420 0.000 0.836 1349 D CB 1.244 41.893 40.800 -0.252 0.000 1.125 1349 D HN 0.816 nan 8.370 nan 0.000 0.525 1350 E N 2.228 122.279 120.200 -0.248 0.000 2.265 1350 E HA -0.151 4.199 4.350 0.000 0.000 0.196 1350 E C -0.060 176.551 176.600 0.017 0.000 0.996 1350 E CA 0.813 57.244 56.400 0.052 0.000 0.832 1350 E CB -0.183 29.691 29.700 0.290 0.000 0.756 1350 E HN 0.361 nan 8.360 nan 0.000 0.491 1351 N N 0.778 119.449 118.700 -0.049 0.000 2.546 1351 N HA 0.061 4.801 4.740 0.000 0.000 0.286 1351 N C -0.852 174.635 175.510 -0.038 0.000 1.259 1351 N CA -0.031 53.011 53.050 -0.014 0.000 0.939 1351 N CB 0.585 39.069 38.487 -0.007 0.000 1.243 1351 N HN 0.032 nan 8.380 nan 0.000 0.511 1352 D N 0.331 120.690 120.400 -0.067 0.000 4.569 1352 D HA -0.003 4.637 4.640 0.000 0.000 0.176 1352 D C 0.745 176.962 176.300 -0.137 0.000 1.237 1352 D CA -0.080 53.883 54.000 -0.063 0.000 1.009 1352 D CB -0.600 40.159 40.800 -0.068 0.000 1.341 1352 D HN 0.054 nan 8.370 nan 0.000 0.874 1353 M N -0.286 119.233 119.600 -0.136 0.000 2.358 1353 M HA -0.072 4.408 4.480 0.000 0.000 0.264 1353 M C 1.827 177.860 176.300 -0.446 0.000 1.064 1353 M CA 1.196 56.312 55.300 -0.306 0.000 1.093 1353 M CB 0.113 32.652 32.600 -0.101 0.000 1.401 1353 M HN 0.216 nan 8.290 nan 0.000 0.440 1354 E N -0.167 119.968 120.200 -0.108 0.000 2.112 1354 E HA -0.156 4.194 4.350 0.000 0.000 0.190 1354 E C 2.078 178.720 176.600 0.069 0.000 0.979 1354 E CA 1.187 57.637 56.400 0.083 0.000 0.814 1354 E CB 0.136 30.031 29.700 0.326 0.000 0.762 1354 E HN 0.326 nan 8.360 nan 0.000 0.460 1355 S N -0.644 115.064 115.700 0.014 0.000 2.382 1355 S HA -0.126 4.344 4.470 0.000 0.000 0.228 1355 S C 1.935 176.526 174.600 -0.015 0.000 1.027 1355 S CA 1.763 59.966 58.200 0.005 0.000 0.991 1355 S CB -0.329 62.861 63.200 -0.015 0.000 0.823 1355 S HN 0.294 nan 8.310 nan 0.000 0.469 1356 T N 0.974 115.489 114.554 -0.065 0.000 2.904 1356 T HA 0.036 4.386 4.350 0.000 0.000 0.267 1356 T C 1.191 175.930 174.700 0.066 0.000 1.059 1356 T CA 1.006 63.067 62.100 -0.064 0.000 1.137 1356 T CB -0.379 68.333 68.868 -0.261 0.000 0.879 1356 T HN 0.510 nan 8.240 nan 0.000 0.467 1357 F N 2.198 122.094 119.950 -0.090 0.000 2.407 1357 F HA 0.038 4.565 4.527 0.000 0.000 0.299 1357 F C 2.065 177.846 175.800 -0.032 0.000 1.097 1357 F CA 0.552 58.521 58.000 -0.051 0.000 1.422 1357 F CB -0.099 38.769 39.000 -0.219 0.000 1.067 1357 F HN 0.021 nan 8.300 nan 0.000 0.539 1358 E N 0.238 120.418 120.200 -0.033 0.000 2.007 1358 E HA -0.255 4.095 4.350 0.000 0.000 0.194 1358 E C 2.216 178.744 176.600 -0.121 0.000 0.999 1358 E CA 1.149 57.498 56.400 -0.084 0.000 0.811 1358 E CB -0.773 28.921 29.700 -0.010 0.000 0.762 1358 E HN 0.195 nan 8.360 nan 0.000 0.450 1359 R N 0.906 121.368 120.500 -0.064 0.000 2.303 1359 R HA -0.049 4.291 4.340 0.000 0.000 0.225 1359 R C 2.044 178.325 176.300 -0.031 0.000 1.114 1359 R CA 0.632 56.712 56.100 -0.033 0.000 1.007 1359 R CB -0.358 29.936 30.300 -0.011 0.000 0.861 1359 R HN 0.233 nan 8.270 nan 0.000 0.471 1360 I N -0.638 119.834 120.570 -0.163 0.000 2.499 1360 I HA -0.136 4.034 4.170 0.000 0.000 0.243 1360 I C 1.833 177.775 176.117 -0.290 0.000 1.085 1360 I CA 0.706 61.812 61.300 -0.323 0.000 1.422 1360 I CB -0.202 37.431 38.000 -0.611 0.000 1.165 1360 I HN 0.085 nan 8.210 nan 0.000 0.440 1361 K N 0.807 120.932 120.400 -0.458 0.000 2.103 1361 K HA -0.260 4.060 4.320 0.000 0.000 0.207 1361 K C 1.887 178.414 176.600 -0.121 0.000 1.048 1361 K CA 1.590 57.686 56.287 -0.319 0.000 0.930 1361 K CB -0.236 32.027 32.500 -0.394 0.000 0.716 1361 K HN 0.305 nan 8.250 nan 0.000 0.444 1362 E N 0.887 121.027 120.200 -0.101 0.000 2.026 1362 E HA -0.243 4.107 4.350 0.000 0.000 0.206 1362 E C 1.657 178.277 176.600 0.033 0.000 1.028 1362 E CA 1.570 57.955 56.400 -0.026 0.000 0.845 1362 E CB -0.011 29.678 29.700 -0.018 0.000 0.772 1362 E HN 0.059 nan 8.360 nan 0.000 0.462 1363 L N 0.529 121.813 121.223 0.102 0.000 2.456 1363 L HA -0.038 4.302 4.340 0.000 0.000 0.224 1363 L C 2.213 179.173 176.870 0.151 0.000 1.148 1363 L CA 1.077 56.019 54.840 0.170 0.000 0.825 1363 L CB -0.430 41.790 42.059 0.270 0.000 0.937 1363 L HN 0.049 nan 8.230 nan 0.000 0.450 1364 S N -1.712 114.072 115.700 0.141 0.000 2.593 1364 S HA -0.002 4.468 4.470 0.000 0.000 0.217 1364 S C 1.906 176.505 174.600 -0.002 0.000 0.966 1364 S CA 0.749 58.994 58.200 0.074 0.000 0.914 1364 S CB 0.000 63.277 63.200 0.127 0.000 0.776 1364 S HN 0.625 nan 8.310 nan 0.000 0.523 1365 S N -0.454 115.249 115.700 0.005 0.000 2.691 1365 S HA 0.191 4.661 4.470 0.000 0.000 0.241 1365 S C 0.503 175.106 174.600 0.006 0.000 1.077 1365 S CA -0.122 58.077 58.200 -0.002 0.000 0.900 1365 S CB -0.400 62.798 63.200 -0.003 0.000 0.805 1365 S HN 0.336 nan 8.310 nan 0.000 0.529 1366 D N 2.099 122.512 120.400 0.022 0.000 2.631 1366 D HA 0.309 4.949 4.640 0.000 0.000 0.227 1366 D C 1.005 177.338 176.300 0.056 0.000 1.146 1366 D CA -0.332 53.687 54.000 0.032 0.000 1.009 1366 D CB -0.033 40.787 40.800 0.033 0.000 1.057 1366 D HN 0.246 nan 8.370 nan 0.000 0.509 1367 R N 1.359 121.885 120.500 0.043 0.000 2.276 1367 R HA -0.188 4.152 4.340 0.000 0.000 0.243 1367 R C 1.702 178.073 176.300 0.118 0.000 1.161 1367 R CA 1.138 57.285 56.100 0.079 0.000 1.007 1367 R CB -0.036 30.285 30.300 0.034 0.000 0.867 1367 R HN 0.339 nan 8.270 nan 0.000 0.472 1368 A N 0.953 123.817 122.820 0.073 0.000 1.929 1368 A HA -0.112 4.208 4.320 0.000 0.000 0.216 1368 A C 2.042 179.659 177.584 0.056 0.000 1.176 1368 A CA 0.735 52.807 52.037 0.057 0.000 0.628 1368 A CB -0.206 18.816 19.000 0.037 0.000 0.816 1368 A HN 0.228 nan 8.150 nan 0.000 0.444 1369 L N -1.612 119.650 121.223 0.065 0.000 2.044 1369 L HA -0.063 4.277 4.340 0.000 0.000 0.205 1369 L C 2.283 179.187 176.870 0.057 0.000 1.075 1369 L CA 2.279 57.150 54.840 0.051 0.000 0.747 1369 L CB -1.043 41.047 42.059 0.052 0.000 0.903 1369 L HN 0.507 nan 8.230 nan 0.000 0.435 1370 Y N 0.308 120.584 120.300 -0.039 0.000 2.181 1370 Y HA -0.329 4.221 4.550 -0.000 0.000 0.284 1370 Y C 2.188 178.038 175.900 -0.085 0.000 1.179 1370 Y CA 2.313 60.362 58.100 -0.085 0.000 1.179 1370 Y CB -0.472 37.919 38.460 -0.114 0.000 0.973 1370 Y HN 0.403 nan 8.280 nan 0.000 0.519 1371 D N -0.484 119.856 120.400 -0.099 0.000 2.347 1371 D HA -0.034 4.606 4.640 0.000 0.000 0.213 1371 D C 1.569 177.824 176.300 -0.074 0.000 0.985 1371 D CA 0.640 54.554 54.000 -0.145 0.000 0.879 1371 D CB -0.009 40.797 40.800 0.011 0.000 0.919 1371 D HN 0.463 nan 8.370 nan 0.000 0.526 1372 R N -0.138 120.331 120.500 -0.051 0.000 2.317 1372 R HA 0.118 4.458 4.340 0.000 0.000 0.208 1372 R C 1.221 177.496 176.300 -0.042 0.000 0.914 1372 R CA 0.214 56.299 56.100 -0.024 0.000 1.060 1372 R CB 0.590 30.886 30.300 -0.007 0.000 1.015 1372 R HN 0.065 nan 8.270 nan 0.000 0.498 1373 E N 0.951 121.092 120.200 -0.099 0.000 2.206 1373 E HA -0.042 4.308 4.350 0.000 0.000 0.195 1373 E C 1.812 178.328 176.600 -0.139 0.000 0.935 1373 E CA 0.611 56.942 56.400 -0.115 0.000 0.875 1373 E CB 0.078 29.699 29.700 -0.133 0.000 0.841 1373 E HN 0.307 nan 8.360 nan 0.000 0.477 1374 R N 1.189 121.535 120.500 -0.257 0.000 2.241 1374 R HA 0.009 4.349 4.340 0.000 0.000 0.224 1374 R C 1.651 178.026 176.300 0.125 0.000 1.101 1374 R CA 1.064 57.031 56.100 -0.223 0.000 0.995 1374 R CB -0.005 29.955 30.300 -0.567 0.000 0.870 1374 R HN -0.073 nan 8.270 nan 0.000 0.463 1375 E N 1.443 121.719 120.200 0.126 0.000 2.170 1375 E HA -0.027 4.323 4.350 0.000 0.000 0.191 1375 E C 1.476 178.186 176.600 0.183 0.000 0.981 1375 E CA 0.823 57.339 56.400 0.193 0.000 0.830 1375 E CB 0.164 29.915 29.700 0.084 0.000 0.775 1375 E HN 0.451 nan 8.360 nan 0.000 0.470 1376 K N 0.428 120.887 120.400 0.098 0.000 2.155 1376 K HA -0.002 4.318 4.320 0.000 0.000 0.203 1376 K C 2.072 178.752 176.600 0.134 0.000 1.052 1376 K CA 0.968 57.307 56.287 0.086 0.000 0.948 1376 K CB 0.045 32.548 32.500 0.004 0.000 0.728 1376 K HN -0.023 nan 8.250 nan 0.000 0.448 1377 A N 0.940 123.832 122.820 0.120 0.000 1.898 1377 A HA -0.165 4.155 4.320 0.000 0.000 0.214 1377 A C 2.071 179.832 177.584 0.295 0.000 1.183 1377 A CA 0.922 53.053 52.037 0.156 0.000 0.622 1377 A CB -0.720 18.282 19.000 0.003 0.000 0.824 1377 A HN 0.404 nan 8.150 nan 0.000 0.444 1378 Y N 0.985 121.410 120.300 0.210 0.000 2.165 1378 Y HA -0.263 4.287 4.550 0.000 0.000 0.286 1378 Y C 2.266 178.327 175.900 0.268 0.000 1.155 1378 Y CA 2.503 60.760 58.100 0.262 0.000 1.164 1378 Y CB -0.235 38.402 38.460 0.295 0.000 0.978 1378 Y HN 0.409 nan 8.280 nan 0.000 0.513 1379 E N -0.015 120.367 120.200 0.304 0.000 2.072 1379 E HA -0.222 4.128 4.350 0.000 0.000 0.191 1379 E C 1.987 178.766 176.600 0.299 0.000 0.985 1379 E CA 1.571 58.110 56.400 0.233 0.000 0.801 1379 E CB -0.893 28.961 29.700 0.258 0.000 0.750 1379 E HN 0.496 nan 8.360 nan 0.000 0.452 1380 F N 0.766 120.795 119.950 0.131 0.000 2.075 1380 F HA -0.096 4.431 4.527 0.000 0.000 0.297 1380 F C 1.824 177.743 175.800 0.200 0.000 1.113 1380 F CA 1.554 59.615 58.000 0.101 0.000 1.218 1380 F CB -0.382 38.606 39.000 -0.019 0.000 0.984 1380 F HN 0.060 nan 8.300 nan 0.000 0.472 1381 L N -1.136 120.150 121.223 0.105 0.000 2.141 1381 L HA -0.217 4.123 4.340 0.000 0.000 0.209 1381 L C 2.375 179.279 176.870 0.057 0.000 1.094 1381 L CA 1.359 56.228 54.840 0.048 0.000 0.763 1381 L CB -1.042 41.122 42.059 0.174 0.000 0.908 1381 L HN 0.282 nan 8.230 nan 0.000 0.437 1382 Y N 0.942 121.191 120.300 -0.085 0.000 2.114 1382 Y HA -0.274 4.276 4.550 0.000 0.000 0.284 1382 Y C 2.744 178.730 175.900 0.143 0.000 1.143 1382 Y CA 1.558 59.610 58.100 -0.080 0.000 1.135 1382 Y CB -0.185 38.098 38.460 -0.296 0.000 0.980 1382 Y HN 0.099 nan 8.280 nan 0.000 0.499 1383 Q N -0.627 119.228 119.800 0.093 0.000 2.291 1383 Q HA -0.231 4.109 4.340 0.000 0.000 0.206 1383 Q C 2.175 178.029 176.000 -0.244 0.000 0.976 1383 Q CA 1.721 57.472 55.803 -0.087 0.000 0.875 1383 Q CB -0.567 28.277 28.738 0.176 0.000 0.927 1383 Q HN 0.729 nan 8.270 nan 0.000 0.450 1384 H N -0.588 118.357 119.070 -0.208 0.000 2.415 1384 H HA 0.078 4.635 4.556 0.000 0.000 0.297 1384 H C 0.669 175.856 175.328 -0.234 0.000 1.048 1384 H CA 0.839 56.711 56.048 -0.293 0.000 1.365 1384 H CB 0.736 30.342 29.762 -0.260 0.000 1.421 1384 H HN 0.164 nan 8.280 nan 0.000 0.533 1385 Q N 0.928 120.588 119.800 -0.235 0.000 2.013 1385 Q HA 0.096 4.436 4.340 0.000 0.000 0.233 1385 Q C -1.230 174.698 176.000 -0.121 0.000 0.834 1385 Q CA -0.248 55.404 55.803 -0.251 0.000 1.040 1385 Q CB 0.935 29.546 28.738 -0.211 0.000 1.248 1385 Q HN 0.286 nan 8.270 nan 0.000 0.425 1386 D N -1.269 119.068 120.400 -0.107 0.000 2.372 1386 D HA 0.104 4.744 4.640 0.000 0.000 0.243 1386 D C 0.848 177.089 176.300 -0.099 0.000 1.121 1386 D CA 0.380 54.312 54.000 -0.114 0.000 0.898 1386 D CB 1.240 41.819 40.800 -0.367 0.000 1.202 1386 D HN -0.011 nan 8.370 nan 0.000 0.428 1387 S N 0.895 116.608 115.700 0.022 0.000 2.370 1387 S HA -0.236 4.234 4.470 0.000 0.000 0.226 1387 S C 2.091 176.728 174.600 0.061 0.000 1.033 1387 S CA 1.345 59.637 58.200 0.153 0.000 1.011 1387 S CB -0.476 62.960 63.200 0.392 0.000 0.852 1387 S HN 0.698 nan 8.310 nan 0.000 0.457 1388 S N 1.473 117.152 115.700 -0.034 0.000 2.380 1388 S HA -0.184 4.286 4.470 0.000 0.000 0.229 1388 S C 1.568 176.044 174.600 -0.206 0.000 1.043 1388 S CA 1.581 59.703 58.200 -0.130 0.000 1.038 1388 S CB -0.803 62.119 63.200 -0.465 0.000 0.872 1388 S HN 0.453 nan 8.310 nan 0.000 0.456 1389 F N 1.337 121.236 119.950 -0.085 0.000 2.147 1389 F HA 0.206 4.733 4.527 -0.000 0.000 0.291 1389 F C 3.028 178.718 175.800 -0.184 0.000 1.093 1389 F CA -0.252 57.666 58.000 -0.135 0.000 1.263 1389 F CB -1.337 37.527 39.000 -0.226 0.000 1.036 1389 F HN 0.285 nan 8.300 nan 0.000 0.481 1390 C N -0.169 119.077 119.300 -0.089 0.000 2.429 1390 C HA -0.151 4.309 4.460 0.000 0.000 0.277 1390 C C 2.733 177.463 174.990 -0.434 0.000 1.262 1390 C CA 0.605 59.454 59.018 -0.282 0.000 1.733 1390 C CB -1.501 25.996 27.740 -0.405 0.000 2.010 1390 C HN 0.368 nan 8.230 nan 0.000 0.483 1391 F N 1.260 120.889 119.950 -0.535 0.000 2.259 1391 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 1391 F C 2.422 177.693 175.800 -0.880 0.000 1.088 1391 F CA 1.465 58.859 58.000 -1.010 0.000 1.358 1391 F CB -0.199 37.556 39.000 -2.075 0.000 1.040 1391 F HN 0.069 nan 8.300 nan 0.000 0.505 1392 K N 0.924 121.152 120.400 -0.286 0.000 2.097 1392 K HA -0.198 4.122 4.320 0.000 0.000 0.205 1392 K C 1.852 178.500 176.600 0.080 0.000 1.050 1392 K CA 1.477 57.812 56.287 0.080 0.000 0.938 1392 K CB -0.257 32.359 32.500 0.193 0.000 0.718 1392 K HN 0.246 nan 8.250 nan 0.000 0.442 1393 E N 0.193 120.392 120.200 -0.002 0.000 2.023 1393 E HA -0.249 4.101 4.350 0.000 0.000 0.196 1393 E C 2.001 178.627 176.600 0.044 0.000 1.003 1393 E CA 1.779 58.187 56.400 0.014 0.000 0.809 1393 E CB -0.020 29.658 29.700 -0.037 0.000 0.755 1393 E HN 0.416 nan 8.360 nan 0.000 0.449 1394 Q N -0.696 119.097 119.800 -0.013 0.000 2.170 1394 Q HA -0.161 4.179 4.340 0.000 0.000 0.203 1394 Q C 1.939 178.031 176.000 0.154 0.000 0.976 1394 Q CA 1.192 57.027 55.803 0.052 0.000 0.858 1394 Q CB -0.174 28.443 28.738 -0.201 0.000 0.907 1394 Q HN 0.317 nan 8.270 nan 0.000 0.433 1395 F N 1.869 121.806 119.950 -0.021 0.000 2.206 1395 F HA -0.137 4.390 4.527 0.000 0.000 0.298 1395 F C 1.369 177.239 175.800 0.118 0.000 1.090 1395 F CA 1.174 59.229 58.000 0.092 0.000 1.323 1395 F CB 0.072 39.169 39.000 0.162 0.000 1.028 1395 F HN -0.018 nan 8.300 nan 0.000 0.492 1396 D N 0.550 121.158 120.400 0.347 0.000 2.144 1396 D HA -0.150 4.490 4.640 0.000 0.000 0.200 1396 D C 2.379 178.703 176.300 0.041 0.000 0.978 1396 D CA 1.590 55.724 54.000 0.223 0.000 0.833 1396 D CB -0.302 40.594 40.800 0.160 0.000 0.961 1396 D HN 0.356 nan 8.370 nan 0.000 0.470 1397 I N 0.481 121.037 120.570 -0.023 0.000 2.353 1397 I HA -0.149 4.021 4.170 0.000 0.000 0.248 1397 I C 2.311 178.325 176.117 -0.172 0.000 1.119 1397 I CA 0.496 61.671 61.300 -0.208 0.000 1.417 1397 I CB 0.028 37.782 38.000 -0.409 0.000 1.078 1397 I HN -0.080 nan 8.210 nan 0.000 0.421 1398 I N 0.414 120.940 120.570 -0.072 0.000 2.252 1398 I HA -0.248 3.922 4.170 0.000 0.000 0.245 1398 I C 2.346 178.373 176.117 -0.150 0.000 1.102 1398 I CA 1.888 63.135 61.300 -0.089 0.000 1.385 1398 I CB -0.440 37.521 38.000 -0.064 0.000 1.064 1398 I HN 0.362 nan 8.210 nan 0.000 0.414 1399 T N -1.967 112.466 114.554 -0.202 0.000 3.086 1399 T HA 0.073 4.423 4.350 0.000 0.000 0.250 1399 T C 0.921 175.601 174.700 -0.033 0.000 1.074 1399 T CA -0.402 61.616 62.100 -0.137 0.000 0.988 1399 T CB -0.045 68.722 68.868 -0.167 0.000 0.988 1399 T HN 0.176 nan 8.240 nan 0.000 0.530 1400 K N 0.000 120.376 120.400 -0.040 0.000 2.780 1400 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1400 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 1400 K CB 0.000 32.464 32.500 -0.061 0.000 1.064 1400 K HN 0.000 nan 8.250 nan 0.000 0.543