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 1xv5_1_A DATA FIRST_RESID 1000 DATA SEQUENCE SMRICIFMAR GLEGXGVTKF SLEQRDWFIK NGHEVTLVYA KDKSFTRTSS DATA SEQUENCE HDHKSFSIPV ILAKEYDKAL KLVNDCDILI INSVPATSVQ EATINNYKKL DATA SEQUENCE LDNIKPSIRV VVYQHDHSVL SLRRNLGLEE TVRRADVIFS HSDNGDFNKV DATA SEQUENCE LMKEWYPETV SLFDDIEEAP TVYNFQPPMD IVKVRSTYWK DVSEINMNIN DATA SEQUENCE RWIGRTTTWK GFYQMFDFHE KFLKPAGKST VMEGLERSPA FIAIKEKGIP DATA SEQUENCE YEYYGNREID KMNLAPNQPA QILDXYINSE 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 0.000 174.750 174.600 0.250 0.000 1.055 1000 S CA 0.000 58.228 58.200 0.047 0.000 1.107 1000 S CB 0.000 63.146 63.200 -0.091 0.000 0.593 1001 M N 2.780 122.694 119.600 0.524 0.000 2.691 1001 M HA 0.593 5.075 4.480 0.003 0.000 0.293 1001 M C -0.585 175.829 176.300 0.189 0.000 1.259 1001 M CA -0.844 54.625 55.300 0.282 0.000 0.827 1001 M CB 2.289 35.021 32.600 0.220 0.000 1.753 1001 M HN 0.545 nan 8.290 nan 0.000 0.465 1002 R N 1.361 121.904 120.500 0.072 0.000 2.229 1002 R HA 0.616 4.958 4.340 0.003 0.000 0.328 1002 R C -1.140 175.127 176.300 -0.055 0.000 1.009 1002 R CA -0.469 55.639 56.100 0.014 0.000 0.864 1002 R CB 0.834 31.134 30.300 0.001 0.000 1.085 1002 R HN 0.420 nan 8.270 nan 0.000 0.453 1003 I N 2.306 122.804 120.570 -0.121 0.000 2.474 1003 I HA 0.243 4.414 4.170 0.003 0.000 0.294 1003 I C -0.170 175.852 176.117 -0.158 0.000 1.005 1003 I CA -1.058 60.098 61.300 -0.240 0.000 1.113 1003 I CB 1.675 39.316 38.000 -0.598 0.000 1.289 1003 I HN 0.675 nan 8.210 nan 0.000 0.436 1004 C N 7.916 127.148 119.300 -0.114 0.000 2.322 1004 C HA 0.604 5.066 4.460 0.003 0.000 0.324 1004 C C -0.046 174.950 174.990 0.010 0.000 1.249 1004 C CA -0.469 58.520 59.018 -0.049 0.000 1.453 1004 C CB -0.623 27.087 27.740 -0.050 0.000 2.145 1004 C HN 0.626 nan 8.230 nan 0.000 0.466 1005 I N 6.388 126.985 120.570 0.045 0.000 2.304 1005 I HA 0.317 4.489 4.170 0.003 0.000 0.291 1005 I C -0.246 176.024 176.117 0.256 0.000 1.018 1005 I CA -0.019 61.356 61.300 0.124 0.000 1.260 1005 I CB 0.695 38.740 38.000 0.075 0.000 1.390 1005 I HN 0.625 nan 8.210 nan 0.000 0.475 1006 F N 7.455 127.463 119.950 0.095 0.000 2.449 1006 F HA 0.530 5.058 4.527 0.002 0.000 0.342 1006 F C -0.315 175.561 175.800 0.126 0.000 1.127 1006 F CA -1.010 57.058 58.000 0.114 0.000 0.975 1006 F CB 1.250 40.321 39.000 0.118 0.000 1.146 1006 F HN 0.355 nan 8.300 nan 0.000 0.444 1007 M N 6.774 126.460 119.600 0.143 0.000 2.268 1007 M HA 0.263 4.745 4.480 0.003 0.000 0.340 1007 M C 0.737 176.856 176.300 -0.302 0.000 1.099 1007 M CA -0.308 54.936 55.300 -0.094 0.000 1.053 1007 M CB 1.406 34.012 32.600 0.010 0.000 1.284 1007 M HN 0.787 nan 8.290 nan 0.000 0.410 1008 A N 1.815 124.169 122.820 -0.777 0.000 2.172 1008 A HA -0.079 4.243 4.320 0.003 0.000 0.216 1008 A C 2.089 179.482 177.584 -0.318 0.000 1.154 1008 A CA 1.201 52.786 52.037 -0.753 0.000 0.701 1008 A CB -0.373 18.002 19.000 -1.042 0.000 0.789 1008 A HN 0.817 nan 8.150 nan 0.000 0.465 1009 R N -0.851 119.530 120.500 -0.198 0.000 2.210 1009 R HA 0.296 4.638 4.340 0.003 0.000 0.203 1009 R C 0.847 177.238 176.300 0.151 0.000 1.010 1009 R CA 0.940 57.018 56.100 -0.038 0.000 1.008 1009 R CB -0.015 30.257 30.300 -0.048 0.000 0.923 1009 R HN 0.655 nan 8.270 nan 0.000 0.469 1010 G N 0.153 109.019 108.800 0.110 0.000 2.371 1010 G HA2 -0.115 3.847 3.960 0.003 0.000 0.663 1010 G HA3 -0.115 3.847 3.960 0.003 0.000 0.663 1010 G C -1.595 173.276 174.900 -0.049 0.000 1.311 1010 G CA -0.555 44.722 45.100 0.296 0.000 0.985 1010 G HN 0.139 nan 8.290 nan 0.000 0.566 1011 L N 0.667 121.814 121.223 -0.127 0.000 2.288 1011 L HA 0.557 4.898 4.340 0.003 0.000 0.283 1011 L C 1.379 177.897 176.870 -0.586 0.000 1.072 1011 L CA -0.308 54.220 54.840 -0.520 0.000 0.862 1011 L CB 0.713 42.171 42.059 -1.002 0.000 1.245 1011 L HN 0.869 nan 8.230 nan 0.000 0.432 1012 E N 3.508 123.203 120.200 -0.842 0.000 2.216 1012 E HA 0.153 4.505 4.350 0.003 0.000 0.192 1012 E C 0.883 177.258 176.600 -0.375 0.000 0.988 1012 E CA 0.676 56.498 56.400 -0.964 0.000 0.834 1012 E CB 0.222 29.344 29.700 -0.964 0.000 0.772 1012 E HN 0.899 nan 8.360 nan 0.000 0.479 1016 V N 1.822 121.658 119.914 -0.130 0.000 2.358 1016 V HA -0.086 4.035 4.120 0.003 0.000 0.246 1016 V C 2.948 178.915 176.094 -0.213 0.000 1.047 1016 V CA 2.805 64.949 62.300 -0.259 0.000 1.035 1016 V CB -0.725 30.962 31.823 -0.227 0.000 0.658 1016 V HN 0.399 nan 8.190 nan 0.000 0.452 1017 T N -0.353 114.036 114.554 -0.275 0.000 2.737 1017 T HA -0.203 4.149 4.350 0.003 0.000 0.265 1017 T C 2.019 176.462 174.700 -0.429 0.000 1.038 1017 T CA 1.819 63.710 62.100 -0.348 0.000 1.144 1017 T CB -0.205 68.418 68.868 -0.409 0.000 0.866 1017 T HN 0.312 nan 8.240 nan 0.000 0.434 1018 K N 1.184 121.220 120.400 -0.606 0.000 2.032 1018 K HA -0.070 4.252 4.320 0.003 0.000 0.209 1018 K C 1.847 178.163 176.600 -0.473 0.000 1.048 1018 K CA 1.417 57.255 56.287 -0.750 0.000 0.927 1018 K CB -0.927 31.008 32.500 -0.941 0.000 0.712 1018 K HN 0.339 nan 8.250 nan 0.000 0.441 1019 F N 0.926 120.650 119.950 -0.377 0.000 2.095 1019 F HA -0.195 4.334 4.527 0.003 0.000 0.298 1019 F C 2.000 177.783 175.800 -0.029 0.000 1.104 1019 F CA 2.053 60.036 58.000 -0.029 0.000 1.232 1019 F CB -0.644 38.345 39.000 -0.019 0.000 0.987 1019 F HN 0.037 nan 8.300 nan 0.000 0.475 1020 S N 0.973 116.640 115.700 -0.054 0.000 2.383 1020 S HA -0.177 4.295 4.470 0.003 0.000 0.229 1020 S C 2.090 176.615 174.600 -0.125 0.000 1.030 1020 S CA 1.618 59.761 58.200 -0.095 0.000 1.002 1020 S CB -0.556 62.634 63.200 -0.018 0.000 0.829 1020 S HN 0.399 nan 8.310 nan 0.000 0.467 1021 L N 1.060 122.213 121.223 -0.116 0.000 2.072 1021 L HA -0.027 4.314 4.340 0.003 0.000 0.205 1021 L C 2.611 179.437 176.870 -0.072 0.000 1.079 1021 L CA 0.938 55.757 54.840 -0.035 0.000 0.752 1021 L CB -0.492 41.566 42.059 -0.001 0.000 0.906 1021 L HN 0.208 nan 8.230 nan 0.000 0.436 1022 E N 0.054 120.193 120.200 -0.102 0.000 2.106 1022 E HA -0.254 4.098 4.350 0.003 0.000 0.192 1022 E C 2.040 178.541 176.600 -0.164 0.000 0.984 1022 E CA 0.981 57.378 56.400 -0.004 0.000 0.806 1022 E CB -0.046 29.747 29.700 0.155 0.000 0.750 1022 E HN 0.521 nan 8.360 nan 0.000 0.458 1023 Q N 0.941 120.487 119.800 -0.423 0.000 2.050 1023 Q HA -0.171 4.171 4.340 0.003 0.000 0.202 1023 Q C 2.344 178.198 176.000 -0.243 0.000 0.980 1023 Q CA 1.506 56.820 55.803 -0.814 0.000 0.840 1023 Q CB 0.001 28.325 28.738 -0.690 0.000 0.898 1023 Q HN 0.080 nan 8.270 nan 0.000 0.424 1024 R N 0.127 120.558 120.500 -0.115 0.000 2.083 1024 R HA -0.185 4.157 4.340 0.003 0.000 0.237 1024 R C 1.489 177.766 176.300 -0.039 0.000 1.137 1024 R CA 2.030 58.113 56.100 -0.028 0.000 0.951 1024 R CB -0.214 30.040 30.300 -0.077 0.000 0.851 1024 R HN 0.319 nan 8.270 nan 0.000 0.434 1025 D N -0.376 119.973 120.400 -0.085 0.000 2.123 1025 D HA -0.217 4.425 4.640 0.003 0.000 0.196 1025 D C 1.425 177.687 176.300 -0.064 0.000 0.992 1025 D CA 1.285 55.241 54.000 -0.074 0.000 0.833 1025 D CB -0.478 40.305 40.800 -0.029 0.000 0.954 1025 D HN 0.411 nan 8.370 nan 0.000 0.455 1026 W N 0.523 121.655 121.300 -0.281 0.000 2.355 1026 W HA -0.159 4.503 4.660 0.003 0.000 0.309 1026 W C 2.083 178.412 176.519 -0.317 0.000 1.206 1026 W CA 1.207 58.341 57.345 -0.351 0.000 1.284 1026 W CB -0.673 28.394 29.460 -0.655 0.000 1.145 1026 W HN -0.139 nan 8.180 nan 0.000 0.502 1027 F N 0.319 120.233 119.950 -0.061 0.000 2.134 1027 F HA -0.220 4.309 4.527 0.003 0.000 0.299 1027 F C 2.305 178.009 175.800 -0.160 0.000 1.097 1027 F CA 1.853 59.803 58.000 -0.083 0.000 1.264 1027 F CB -0.753 38.274 39.000 0.045 0.000 1.001 1027 F HN -0.190 nan 8.300 nan 0.000 0.479 1028 I N -0.131 120.446 120.570 0.012 0.000 2.252 1028 I HA -0.303 3.869 4.170 0.003 0.000 0.245 1028 I C 2.445 178.452 176.117 -0.183 0.000 1.102 1028 I CA 1.341 62.596 61.300 -0.075 0.000 1.385 1028 I CB -0.477 37.465 38.000 -0.098 0.000 1.064 1028 I HN 0.074 nan 8.210 nan 0.000 0.414 1029 K N 1.260 121.508 120.400 -0.253 0.000 2.147 1029 K HA -0.170 4.152 4.320 0.003 0.000 0.205 1029 K C 0.908 177.264 176.600 -0.407 0.000 1.049 1029 K CA 1.612 57.719 56.287 -0.300 0.000 0.936 1029 K CB -0.032 32.283 32.500 -0.307 0.000 0.722 1029 K HN 0.278 nan 8.250 nan 0.000 0.446 1030 N N -0.613 117.737 118.700 -0.583 0.000 2.295 1030 N HA 0.129 4.871 4.740 0.003 0.000 0.221 1030 N C -0.017 175.165 175.510 -0.546 0.000 1.129 1030 N CA 0.624 53.286 53.050 -0.646 0.000 0.836 1030 N CB 1.274 39.099 38.487 -1.104 0.000 1.040 1030 N HN 0.371 nan 8.380 nan 0.000 0.494 1031 G N -0.004 108.555 108.800 -0.402 0.000 2.143 1031 G HA2 -0.261 3.701 3.960 0.003 0.000 0.249 1031 G HA3 -0.261 3.701 3.960 0.003 0.000 0.249 1031 G C -0.256 174.400 174.900 -0.406 0.000 0.981 1031 G CA -0.137 44.735 45.100 -0.380 0.000 0.665 1031 G HN 0.443 nan 8.290 nan 0.000 0.528 1032 H N 0.338 119.371 119.070 -0.061 0.000 2.544 1032 H HA 0.494 5.052 4.556 0.003 0.000 0.342 1032 H C 0.069 175.397 175.328 0.001 0.000 1.185 1032 H CA -0.345 55.720 56.048 0.029 0.000 1.264 1032 H CB 1.111 30.990 29.762 0.194 0.000 1.607 1032 H HN 0.411 nan 8.280 nan 0.000 0.550 1033 E N 1.088 121.363 120.200 0.124 0.000 2.216 1033 E HA 0.409 4.761 4.350 0.003 0.000 0.279 1033 E C -0.822 175.785 176.600 0.012 0.000 0.997 1033 E CA -0.638 55.785 56.400 0.038 0.000 0.817 1033 E CB 1.857 31.568 29.700 0.019 0.000 1.096 1033 E HN 0.142 nan 8.360 nan 0.000 0.393 1034 V N 2.059 121.965 119.914 -0.013 0.000 2.709 1034 V HA 0.406 4.527 4.120 0.003 0.000 0.308 1034 V C -0.261 175.824 176.094 -0.016 0.000 1.062 1034 V CA -0.869 61.407 62.300 -0.041 0.000 0.901 1034 V CB 2.130 33.926 31.823 -0.046 0.000 1.003 1034 V HN 0.847 nan 8.190 nan 0.000 0.425 1035 T N 2.083 116.633 114.554 -0.008 0.000 2.812 1035 T HA 0.740 5.092 4.350 0.003 0.000 0.282 1035 T C -1.056 173.688 174.700 0.073 0.000 0.990 1035 T CA -0.594 61.528 62.100 0.037 0.000 0.960 1035 T CB 1.602 70.475 68.868 0.008 0.000 0.948 1035 T HN 0.453 nan 8.240 nan 0.000 0.438 1036 L N 4.263 125.581 121.223 0.159 0.000 2.280 1036 L HA 0.733 5.074 4.340 0.003 0.000 0.287 1036 L C -1.096 175.916 176.870 0.236 0.000 1.023 1036 L CA -0.531 54.437 54.840 0.213 0.000 0.819 1036 L CB 1.056 43.306 42.059 0.318 0.000 1.212 1036 L HN 0.693 nan 8.230 nan 0.000 0.420 1037 V N 6.043 126.098 119.914 0.236 0.000 2.555 1037 V HA 0.573 4.694 4.120 0.003 0.000 0.302 1037 V C -0.963 175.405 176.094 0.456 0.000 1.038 1037 V CA -0.603 61.836 62.300 0.232 0.000 0.887 1037 V CB 1.515 33.352 31.823 0.023 0.000 0.991 1037 V HN 0.700 nan 8.190 nan 0.000 0.434 1038 Y N 1.908 122.350 120.300 0.237 0.000 2.524 1038 Y HA 0.884 5.435 4.550 0.002 0.000 0.347 1038 Y C -0.117 175.924 175.900 0.235 0.000 1.005 1038 Y CA -1.525 56.713 58.100 0.231 0.000 1.025 1038 Y CB 1.345 39.853 38.460 0.079 0.000 1.275 1038 Y HN 0.756 nan 8.280 nan 0.000 0.460 1039 A N 3.628 126.620 122.820 0.286 0.000 2.454 1039 A HA 0.247 4.569 4.320 0.003 0.000 0.260 1039 A C 0.899 178.581 177.584 0.165 0.000 1.106 1039 A CA -0.413 51.733 52.037 0.181 0.000 0.780 1039 A CB 0.341 19.440 19.000 0.165 0.000 1.044 1039 A HN 0.947 nan 8.150 nan 0.000 0.498 1040 K N 1.604 122.027 120.400 0.038 0.000 2.393 1040 K HA -0.027 4.294 4.320 0.003 0.000 0.193 1040 K C 0.246 176.902 176.600 0.093 0.000 1.026 1040 K CA 0.787 57.122 56.287 0.080 0.000 1.064 1040 K CB 0.006 32.489 32.500 -0.029 0.000 0.833 1040 K HN 0.803 nan 8.250 nan 0.000 0.521 1041 D N 1.236 121.684 120.400 0.081 0.000 2.172 1041 D HA -0.191 4.451 4.640 0.003 0.000 0.196 1041 D C 0.452 176.764 176.300 0.021 0.000 0.999 1041 D CA 1.444 55.475 54.000 0.053 0.000 0.856 1041 D CB 0.147 40.983 40.800 0.060 0.000 0.934 1041 D HN 0.073 nan 8.370 nan 0.000 0.453 1042 K N 0.265 120.681 120.400 0.026 0.000 2.292 1042 K HA 0.390 4.711 4.320 0.003 0.000 0.257 1042 K C -0.919 175.562 176.600 -0.198 0.000 0.940 1042 K CA -0.626 55.584 56.287 -0.129 0.000 0.811 1042 K CB 1.459 33.848 32.500 -0.186 0.000 1.120 1042 K HN 0.053 nan 8.250 nan 0.000 0.428 1043 S N 2.506 118.019 115.700 -0.311 0.000 2.654 1043 S HA 0.649 5.121 4.470 0.003 0.000 0.283 1043 S C -0.539 173.743 174.600 -0.530 0.000 1.180 1043 S CA -0.677 57.404 58.200 -0.199 0.000 1.021 1043 S CB 0.586 63.750 63.200 -0.060 0.000 1.018 1043 S HN 0.373 nan 8.310 nan 0.000 0.532 1044 F N -0.677 119.280 119.950 0.012 0.000 2.603 1044 F HA 0.480 5.011 4.527 0.006 0.000 0.317 1044 F C 1.619 177.409 175.800 -0.015 0.000 1.066 1044 F CA -1.114 56.881 58.000 -0.009 0.000 0.941 1044 F CB 1.370 40.354 39.000 -0.027 0.000 1.291 1044 F HN 0.586 nan 8.300 nan 0.000 0.472 1045 T N -0.352 114.301 114.554 0.164 0.000 2.821 1045 T HA -0.078 4.274 4.350 0.003 0.000 0.267 1045 T C 1.356 176.082 174.700 0.043 0.000 1.046 1045 T CA 1.322 63.464 62.100 0.070 0.000 1.139 1045 T CB -0.186 68.703 68.868 0.036 0.000 0.871 1045 T HN 0.367 nan 8.240 nan 0.000 0.454 1046 R N 1.066 121.589 120.500 0.038 0.000 2.568 1046 R HA 0.224 4.565 4.340 0.003 0.000 0.288 1046 R C 1.861 178.154 176.300 -0.012 0.000 1.077 1046 R CA -0.008 56.074 56.100 -0.029 0.000 1.102 1046 R CB -0.198 30.046 30.300 -0.094 0.000 1.278 1046 R HN 0.122 nan 8.270 nan 0.000 0.560 1047 T N -0.363 114.214 114.554 0.039 0.000 2.897 1047 T HA -0.087 4.265 4.350 0.003 0.000 0.271 1047 T C 1.440 176.211 174.700 0.117 0.000 1.084 1047 T CA 1.510 63.637 62.100 0.046 0.000 1.123 1047 T CB 0.025 68.951 68.868 0.097 0.000 0.865 1047 T HN 0.180 nan 8.240 nan 0.000 0.496 1048 S N 0.170 115.904 115.700 0.057 0.000 2.540 1048 S HA 0.188 4.660 4.470 0.003 0.000 0.218 1048 S C 2.052 176.643 174.600 -0.017 0.000 0.977 1048 S CA -0.088 58.135 58.200 0.037 0.000 0.918 1048 S CB 0.140 63.342 63.200 0.002 0.000 0.806 1048 S HN 0.410 nan 8.310 nan 0.000 0.496 1049 S N 1.109 116.764 115.700 -0.075 0.000 2.382 1049 S HA -0.023 4.449 4.470 0.003 0.000 0.228 1049 S C 0.299 174.682 174.600 -0.361 0.000 1.027 1049 S CA 1.239 59.286 58.200 -0.256 0.000 0.991 1049 S CB -0.063 62.899 63.200 -0.397 0.000 0.823 1049 S HN 0.618 nan 8.310 nan 0.000 0.469 1050 H N -0.063 119.010 119.070 0.005 0.000 2.621 1050 H HA 0.463 5.020 4.556 0.003 0.000 0.360 1050 H C -0.839 174.560 175.328 0.119 0.000 1.163 1050 H CA -1.093 54.981 56.048 0.044 0.000 1.194 1050 H CB 0.799 30.560 29.762 -0.002 0.000 1.649 1050 H HN -0.024 nan 8.280 nan 0.000 0.532 1051 D N 1.042 121.572 120.400 0.216 0.000 2.343 1051 D HA 0.058 4.700 4.640 0.003 0.000 0.255 1051 D C 0.573 176.955 176.300 0.136 0.000 1.187 1051 D CA 0.318 54.390 54.000 0.120 0.000 0.875 1051 D CB 0.351 41.232 40.800 0.134 0.000 1.136 1051 D HN 0.828 nan 8.370 nan 0.000 0.469 1052 H N 2.047 120.988 119.070 -0.214 0.000 3.672 1052 H HA 0.082 4.639 4.556 0.003 0.000 0.244 1052 H C 0.873 175.662 175.328 -0.898 0.000 1.046 1052 H CA -0.277 55.315 56.048 -0.760 0.000 1.111 1052 H CB -0.210 29.271 29.762 -0.470 0.000 1.280 1052 H HN 0.270 nan 8.280 nan 0.000 0.754 1053 K N 1.848 121.582 120.400 -1.111 0.000 2.228 1053 K HA -0.142 4.180 4.320 0.003 0.000 0.205 1053 K C 2.031 178.420 176.600 -0.352 0.000 1.045 1053 K CA 2.243 58.139 56.287 -0.652 0.000 0.931 1053 K CB -0.030 32.187 32.500 -0.472 0.000 0.727 1053 K HN 0.414 nan 8.250 nan 0.000 0.458 1054 S N -0.063 115.452 115.700 -0.309 0.000 2.561 1054 S HA -0.059 4.413 4.470 0.003 0.000 0.225 1054 S C 1.380 176.021 174.600 0.068 0.000 0.977 1054 S CA 0.428 58.591 58.200 -0.061 0.000 0.926 1054 S CB -0.338 62.906 63.200 0.073 0.000 0.769 1054 S HN 0.484 nan 8.310 nan 0.000 0.533 1055 F N 0.428 120.408 119.950 0.049 0.000 2.897 1055 F HA 0.464 4.993 4.527 0.004 0.000 0.364 1055 F C 0.386 176.254 175.800 0.115 0.000 0.940 1055 F CA -0.426 57.614 58.000 0.067 0.000 1.106 1055 F CB -0.360 38.673 39.000 0.054 0.000 1.034 1055 F HN 0.155 nan 8.300 nan 0.000 0.583 1056 S N 2.681 118.279 115.700 -0.170 0.000 2.560 1056 S HA 0.401 4.872 4.470 0.003 0.000 0.284 1056 S C -0.289 174.449 174.600 0.231 0.000 1.327 1056 S CA -0.301 57.998 58.200 0.166 0.000 1.055 1056 S CB 0.467 63.834 63.200 0.279 0.000 0.868 1056 S HN 0.301 nan 8.310 nan 0.000 0.506 1057 I N 4.706 125.410 120.570 0.223 0.000 2.359 1057 I HA 0.344 4.515 4.170 0.003 0.000 0.284 1057 I C -2.174 173.852 176.117 -0.151 0.000 1.018 1057 I CA -2.416 58.920 61.300 0.060 0.000 1.173 1057 I CB 1.613 39.635 38.000 0.037 0.000 1.326 1057 I HN 0.503 nan 8.210 nan 0.000 0.462 1058 P HA 0.263 nan 4.420 nan 0.000 0.282 1058 P C -0.930 176.174 177.300 -0.326 0.000 1.249 1058 P CA -0.373 62.292 63.100 -0.726 0.000 0.806 1058 P CB 2.780 34.144 31.700 -0.560 0.000 0.984 1059 V N 4.102 123.853 119.914 -0.273 0.000 2.851 1059 V HA 0.365 4.487 4.120 0.003 0.000 0.307 1059 V C -0.765 175.306 176.094 -0.038 0.000 1.129 1059 V CA -0.955 61.279 62.300 -0.110 0.000 0.932 1059 V CB 1.894 33.668 31.823 -0.080 0.000 1.024 1059 V HN 0.314 nan 8.190 nan 0.000 0.426 1060 I N 7.641 128.207 120.570 -0.007 0.000 2.281 1060 I HA 0.221 4.392 4.170 0.003 0.000 0.293 1060 I C 1.273 177.433 176.117 0.071 0.000 1.085 1060 I CA -0.162 61.157 61.300 0.033 0.000 1.257 1060 I CB 1.215 39.230 38.000 0.026 0.000 1.430 1060 I HN 0.635 nan 8.210 nan 0.000 0.489 1061 L N 5.000 126.291 121.223 0.113 0.000 2.042 1061 L HA -0.217 4.125 4.340 0.003 0.000 0.210 1061 L C 2.659 179.624 176.870 0.158 0.000 1.076 1061 L CA 1.582 56.524 54.840 0.169 0.000 0.749 1061 L CB -0.424 41.771 42.059 0.227 0.000 0.893 1061 L HN 0.780 nan 8.230 nan 0.000 0.432 1062 A N -0.320 122.569 122.820 0.115 0.000 2.121 1062 A HA -0.142 4.179 4.320 0.003 0.000 0.218 1062 A C 2.039 179.671 177.584 0.080 0.000 1.154 1062 A CA 1.454 53.546 52.037 0.092 0.000 0.679 1062 A CB -0.123 18.916 19.000 0.065 0.000 0.795 1062 A HN 0.450 nan 8.150 nan 0.000 0.458 1063 K N -1.499 118.948 120.400 0.078 0.000 2.521 1063 K HA 0.169 4.491 4.320 0.003 0.000 0.213 1063 K C -0.222 176.420 176.600 0.070 0.000 1.223 1063 K CA 0.119 56.445 56.287 0.064 0.000 1.013 1063 K CB 0.961 33.486 32.500 0.042 0.000 1.017 1063 K HN 0.356 nan 8.250 nan 0.000 0.591 1064 E N 0.408 120.656 120.200 0.079 0.000 3.646 1064 E HA 0.059 4.411 4.350 0.003 0.000 0.211 1064 E C -0.241 176.398 176.600 0.064 0.000 1.034 1064 E CA -0.197 56.236 56.400 0.056 0.000 1.341 1064 E CB 0.379 30.087 29.700 0.014 0.000 1.202 1064 E HN 0.192 nan 8.360 nan 0.000 0.447 1065 Y N 1.571 121.879 120.300 0.013 0.000 2.114 1065 Y HA -0.314 4.238 4.550 0.003 0.000 0.282 1065 Y C 1.343 177.239 175.900 -0.007 0.000 1.165 1065 Y CA 2.281 60.389 58.100 0.013 0.000 1.148 1065 Y CB 0.226 38.696 38.460 0.016 0.000 0.972 1065 Y HN 0.141 nan 8.280 nan 0.000 0.504 1066 D N 0.092 120.486 120.400 -0.010 0.000 2.104 1066 D HA -0.215 4.427 4.640 0.003 0.000 0.194 1066 D C 2.129 178.328 176.300 -0.168 0.000 0.994 1066 D CA 1.877 55.821 54.000 -0.094 0.000 0.830 1066 D CB -0.309 40.507 40.800 0.027 0.000 0.959 1066 D HN 0.379 nan 8.370 nan 0.000 0.452 1067 K N 0.422 120.755 120.400 -0.113 0.000 2.026 1067 K HA -0.133 4.189 4.320 0.003 0.000 0.208 1067 K C 2.042 178.536 176.600 -0.177 0.000 1.048 1067 K CA 1.382 57.601 56.287 -0.114 0.000 0.929 1067 K CB -0.141 32.315 32.500 -0.073 0.000 0.713 1067 K HN 0.090 nan 8.250 nan 0.000 0.439 1068 A N 1.407 124.099 122.820 -0.214 0.000 1.883 1068 A HA -0.174 4.148 4.320 0.003 0.000 0.217 1068 A C 2.087 179.457 177.584 -0.358 0.000 1.186 1068 A CA 1.534 53.406 52.037 -0.275 0.000 0.624 1068 A CB -0.713 18.163 19.000 -0.206 0.000 0.822 1068 A HN 0.412 nan 8.150 nan 0.000 0.444 1069 L N 0.026 120.968 121.223 -0.469 0.000 2.017 1069 L HA -0.151 4.191 4.340 0.003 0.000 0.208 1069 L C 2.341 179.057 176.870 -0.257 0.000 1.073 1069 L CA 2.699 57.283 54.840 -0.426 0.000 0.745 1069 L CB -0.547 41.166 42.059 -0.577 0.000 0.894 1069 L HN 0.479 nan 8.230 nan 0.000 0.432 1070 K N -0.744 119.528 120.400 -0.213 0.000 2.103 1070 K HA -0.185 4.137 4.320 0.003 0.000 0.207 1070 K C 2.095 178.612 176.600 -0.138 0.000 1.048 1070 K CA 1.742 57.945 56.287 -0.141 0.000 0.930 1070 K CB -0.205 32.229 32.500 -0.109 0.000 0.716 1070 K HN 0.412 nan 8.250 nan 0.000 0.444 1071 L N 0.736 121.856 121.223 -0.171 0.000 1.994 1071 L HA -0.173 4.169 4.340 0.003 0.000 0.208 1071 L C 2.459 179.220 176.870 -0.182 0.000 1.071 1071 L CA 1.311 56.051 54.840 -0.168 0.000 0.745 1071 L CB -0.585 41.352 42.059 -0.203 0.000 0.892 1071 L HN 0.160 nan 8.230 nan 0.000 0.431 1072 V N -3.385 116.383 119.914 -0.243 0.000 2.759 1072 V HA -0.108 4.013 4.120 0.003 0.000 0.256 1072 V C 1.635 177.654 176.094 -0.124 0.000 1.080 1072 V CA 1.625 63.799 62.300 -0.211 0.000 1.101 1072 V CB -0.729 30.940 31.823 -0.258 0.000 0.698 1072 V HN 0.438 nan 8.190 nan 0.000 0.477 1073 N N 0.612 119.242 118.700 -0.117 0.000 2.336 1073 N HA 0.039 4.780 4.740 0.003 0.000 0.189 1073 N C 0.581 176.053 175.510 -0.062 0.000 1.113 1073 N CA 0.824 53.827 53.050 -0.078 0.000 0.858 1073 N CB 0.102 38.545 38.487 -0.074 0.000 0.970 1073 N HN 0.619 nan 8.380 nan 0.000 0.471 1074 D N 0.754 121.112 120.400 -0.069 0.000 2.894 1074 D HA 0.101 4.743 4.640 0.003 0.000 0.248 1074 D C -0.235 176.039 176.300 -0.044 0.000 1.291 1074 D CA -0.389 53.580 54.000 -0.052 0.000 0.840 1074 D CB -0.330 40.437 40.800 -0.055 0.000 1.044 1074 D HN 0.245 nan 8.370 nan 0.000 0.484 1075 C N -2.197 117.077 119.300 -0.042 0.000 3.323 1075 C HA 0.596 5.058 4.460 0.003 0.000 0.324 1075 C C 0.796 175.770 174.990 -0.026 0.000 1.428 1075 C CA -0.723 58.273 59.018 -0.037 0.000 1.368 1075 C CB 1.653 29.362 27.740 -0.052 0.000 1.731 1075 C HN 0.053 nan 8.230 nan 0.000 0.455 1076 D N 0.070 120.456 120.400 -0.022 0.000 2.379 1076 D HA 0.293 4.934 4.640 0.003 0.000 0.218 1076 D C 0.105 176.393 176.300 -0.020 0.000 1.006 1076 D CA 1.133 55.127 54.000 -0.010 0.000 0.893 1076 D CB 0.551 41.357 40.800 0.010 0.000 1.019 1076 D HN 0.604 nan 8.370 nan 0.000 0.503 1077 I N 1.604 122.150 120.570 -0.040 0.000 2.499 1077 I HA 0.209 4.381 4.170 0.003 0.000 0.288 1077 I C -1.233 174.861 176.117 -0.038 0.000 1.048 1077 I CA -0.954 60.322 61.300 -0.040 0.000 1.062 1077 I CB 2.842 40.803 38.000 -0.064 0.000 1.238 1077 I HN -0.220 nan 8.210 nan 0.000 0.426 1078 L N 8.236 129.464 121.223 0.008 0.000 2.287 1078 L HA 0.601 4.943 4.340 0.003 0.000 0.287 1078 L C -0.891 176.044 176.870 0.108 0.000 1.022 1078 L CA -0.023 54.844 54.840 0.046 0.000 0.814 1078 L CB 1.030 43.123 42.059 0.057 0.000 1.217 1078 L HN 0.403 nan 8.230 nan 0.000 0.420 1079 I N 6.762 127.417 120.570 0.142 0.000 2.328 1079 I HA 0.349 4.521 4.170 0.003 0.000 0.287 1079 I C -0.472 175.813 176.117 0.280 0.000 1.012 1079 I CA -0.347 61.093 61.300 0.234 0.000 1.195 1079 I CB 1.191 39.340 38.000 0.249 0.000 1.350 1079 I HN 0.498 nan 8.210 nan 0.000 0.464 1080 I N 6.449 127.185 120.570 0.276 0.000 2.306 1080 I HA 0.220 4.392 4.170 0.003 0.000 0.288 1080 I C 0.724 176.967 176.117 0.209 0.000 1.036 1080 I CA -0.241 61.199 61.300 0.233 0.000 1.221 1080 I CB 0.691 38.819 38.000 0.214 0.000 1.385 1080 I HN 0.573 nan 8.210 nan 0.000 0.472 1081 N N 3.667 122.479 118.700 0.187 0.000 2.299 1081 N HA 0.043 4.784 4.740 0.003 0.000 0.187 1081 N C -0.004 175.590 175.510 0.140 0.000 1.099 1081 N CA 0.202 53.394 53.050 0.236 0.000 0.867 1081 N CB 0.589 39.230 38.487 0.255 0.000 0.974 1081 N HN 0.716 nan 8.380 nan 0.000 0.477 1082 S N -1.188 114.509 115.700 -0.004 0.000 2.567 1082 S HA 0.560 5.032 4.470 0.003 0.000 0.270 1082 S C -0.682 173.794 174.600 -0.205 0.000 1.152 1082 S CA -0.934 57.223 58.200 -0.072 0.000 0.835 1082 S CB 1.661 64.807 63.200 -0.090 0.000 1.115 1082 S HN -0.077 nan 8.310 nan 0.000 0.459 1083 V N -2.555 117.235 119.914 -0.207 0.000 3.113 1083 V HA 0.860 4.981 4.120 0.003 0.000 0.316 1083 V C -3.172 172.723 176.094 -0.332 0.000 1.125 1083 V CA -3.035 59.020 62.300 -0.408 0.000 1.026 1083 V CB 0.865 32.525 31.823 -0.273 0.000 1.080 1083 V HN 0.733 nan 8.190 nan 0.000 0.444 1084 P HA 0.253 nan 4.420 nan 0.000 0.265 1084 P C -0.253 177.003 177.300 -0.074 0.000 1.187 1084 P CA 0.677 63.651 63.100 -0.209 0.000 0.766 1084 P CB 0.275 31.849 31.700 -0.208 0.000 0.820 1085 A N 2.320 125.140 122.820 0.000 0.000 2.304 1085 A HA 0.306 4.627 4.320 0.003 0.000 0.271 1085 A C 1.525 179.127 177.584 0.031 0.000 1.091 1085 A CA 0.193 52.253 52.037 0.038 0.000 0.812 1085 A CB -0.449 18.598 19.000 0.078 0.000 1.056 1085 A HN 0.641 nan 8.150 nan 0.000 0.489 1086 T N -1.487 113.093 114.554 0.043 0.000 3.077 1086 T HA -0.107 4.245 4.350 0.003 0.000 0.269 1086 T C 1.236 175.955 174.700 0.032 0.000 1.146 1086 T CA 1.476 63.601 62.100 0.042 0.000 1.091 1086 T CB -0.566 68.333 68.868 0.051 0.000 0.892 1086 T HN 1.007 nan 8.240 nan 0.000 0.533 1087 S N 0.667 116.380 115.700 0.023 0.000 2.556 1087 S HA 0.305 4.776 4.470 0.003 0.000 0.216 1087 S C 0.764 175.366 174.600 0.003 0.000 0.970 1087 S CA -0.237 57.969 58.200 0.010 0.000 0.912 1087 S CB -0.660 62.538 63.200 -0.003 0.000 0.790 1087 S HN 0.635 nan 8.310 nan 0.000 0.504 1088 V N -0.147 119.773 119.914 0.010 0.000 3.003 1088 V HA 0.382 4.504 4.120 0.003 0.000 0.305 1088 V C 0.040 176.146 176.094 0.020 0.000 1.078 1088 V CA -0.953 61.354 62.300 0.012 0.000 1.083 1088 V CB 0.302 32.136 31.823 0.019 0.000 1.039 1088 V HN 0.404 nan 8.190 nan 0.000 0.481 1089 Q N 1.080 120.893 119.800 0.021 0.000 2.417 1089 Q HA 0.163 4.505 4.340 0.003 0.000 0.241 1089 Q C 1.040 177.060 176.000 0.034 0.000 1.008 1089 Q CA -0.485 55.332 55.803 0.024 0.000 0.901 1089 Q CB 0.760 29.511 28.738 0.021 0.000 1.259 1089 Q HN 0.782 nan 8.270 nan 0.000 0.489 1090 E N 1.102 121.321 120.200 0.031 0.000 2.114 1090 E HA -0.282 4.070 4.350 0.003 0.000 0.199 1090 E C 1.808 178.434 176.600 0.044 0.000 1.008 1090 E CA 1.750 58.171 56.400 0.035 0.000 0.810 1090 E CB -0.388 29.327 29.700 0.026 0.000 0.739 1090 E HN 0.750 nan 8.360 nan 0.000 0.456 1091 A N 0.705 123.549 122.820 0.040 0.000 1.940 1091 A HA -0.199 4.123 4.320 0.003 0.000 0.219 1091 A C 2.477 180.107 177.584 0.077 0.000 1.176 1091 A CA 2.224 54.289 52.037 0.047 0.000 0.631 1091 A CB -0.900 18.124 19.000 0.040 0.000 0.814 1091 A HN 0.279 nan 8.150 nan 0.000 0.446 1092 T N -0.117 114.485 114.554 0.080 0.000 2.643 1092 T HA -0.146 4.205 4.350 0.003 0.000 0.264 1092 T C 1.861 176.649 174.700 0.147 0.000 1.045 1092 T CA 1.653 63.817 62.100 0.107 0.000 1.155 1092 T CB -0.343 68.570 68.868 0.075 0.000 0.863 1092 T HN 0.413 nan 8.240 nan 0.000 0.420 1093 I N 1.682 122.323 120.570 0.119 0.000 2.315 1093 I HA -0.080 4.092 4.170 0.003 0.000 0.248 1093 I C 1.837 178.062 176.117 0.180 0.000 1.117 1093 I CA 1.281 62.675 61.300 0.158 0.000 1.404 1093 I CB -0.596 37.466 38.000 0.104 0.000 1.071 1093 I HN 0.243 nan 8.210 nan 0.000 0.419 1094 N N 0.453 119.221 118.700 0.114 0.000 2.084 1094 N HA -0.187 4.555 4.740 0.003 0.000 0.190 1094 N C 1.399 176.958 175.510 0.082 0.000 1.030 1094 N CA 1.323 54.418 53.050 0.075 0.000 0.849 1094 N CB -0.239 38.268 38.487 0.033 0.000 1.012 1094 N HN 0.372 nan 8.380 nan 0.000 0.423 1095 N N 0.354 119.126 118.700 0.120 0.000 2.309 1095 N HA -0.147 4.595 4.740 0.003 0.000 0.182 1095 N C 1.361 177.044 175.510 0.288 0.000 1.018 1095 N CA 0.618 53.773 53.050 0.176 0.000 0.876 1095 N CB -0.304 38.329 38.487 0.242 0.000 0.972 1095 N HN 0.425 nan 8.380 nan 0.000 0.434 1096 Y N 1.814 122.214 120.300 0.167 0.000 2.200 1096 Y HA -0.079 4.472 4.550 0.002 0.000 0.290 1096 Y C 1.995 177.984 175.900 0.149 0.000 1.137 1096 Y CA 1.471 59.679 58.100 0.179 0.000 1.163 1096 Y CB 0.116 38.653 38.460 0.128 0.000 0.988 1096 Y HN -0.097 nan 8.280 nan 0.000 0.518 1097 K N 0.351 120.760 120.400 0.015 0.000 2.097 1097 K HA -0.194 4.128 4.320 0.003 0.000 0.206 1097 K C 2.161 178.719 176.600 -0.070 0.000 1.049 1097 K CA 1.479 57.717 56.287 -0.082 0.000 0.933 1097 K CB -0.144 32.368 32.500 0.020 0.000 0.717 1097 K HN 0.246 nan 8.250 nan 0.000 0.442 1098 K N 1.391 121.794 120.400 0.006 0.000 2.097 1098 K HA -0.089 4.233 4.320 0.003 0.000 0.205 1098 K C 2.094 178.778 176.600 0.140 0.000 1.050 1098 K CA 0.796 57.103 56.287 0.033 0.000 0.938 1098 K CB 0.006 32.461 32.500 -0.075 0.000 0.718 1098 K HN 0.073 nan 8.250 nan 0.000 0.442 1099 L N 1.029 122.362 121.223 0.182 0.000 2.012 1099 L HA -0.240 4.101 4.340 0.003 0.000 0.210 1099 L C 2.404 179.251 176.870 -0.038 0.000 1.073 1099 L CA 1.230 56.124 54.840 0.090 0.000 0.748 1099 L CB -0.389 41.690 42.059 0.032 0.000 0.891 1099 L HN 0.259 nan 8.230 nan 0.000 0.431 1100 L N -0.617 120.510 121.223 -0.159 0.000 2.012 1100 L HA -0.276 4.065 4.340 0.003 0.000 0.210 1100 L C 2.160 178.991 176.870 -0.064 0.000 1.073 1100 L CA 1.309 56.061 54.840 -0.147 0.000 0.748 1100 L CB -0.705 41.215 42.059 -0.232 0.000 0.891 1100 L HN 0.293 nan 8.230 nan 0.000 0.431 1101 D N -0.120 120.253 120.400 -0.045 0.000 2.219 1101 D HA -0.126 4.515 4.640 0.003 0.000 0.205 1101 D C 1.410 177.712 176.300 0.002 0.000 0.970 1101 D CA 1.064 55.053 54.000 -0.019 0.000 0.851 1101 D CB -0.238 40.553 40.800 -0.015 0.000 0.943 1101 D HN 0.351 nan 8.370 nan 0.000 0.488 1102 N N -0.581 118.134 118.700 0.024 0.000 2.230 1102 N HA 0.188 4.929 4.740 0.003 0.000 0.202 1102 N C 0.014 175.528 175.510 0.006 0.000 1.119 1102 N CA -0.127 52.944 53.050 0.036 0.000 0.851 1102 N CB 0.797 39.347 38.487 0.104 0.000 0.990 1102 N HN 0.130 nan 8.380 nan 0.000 0.497 1103 I N 1.395 121.959 120.570 -0.012 0.000 2.692 1103 I HA -0.037 4.135 4.170 0.003 0.000 0.284 1103 I C 0.542 176.650 176.117 -0.016 0.000 1.159 1103 I CA -0.225 61.061 61.300 -0.024 0.000 1.423 1103 I CB 0.594 38.581 38.000 -0.021 0.000 1.380 1103 I HN -0.050 nan 8.210 nan 0.000 0.580 1104 K N 7.209 127.597 120.400 -0.020 0.000 2.491 1104 K HA -0.013 4.308 4.320 0.003 0.000 0.279 1104 K C -1.648 174.947 176.600 -0.009 0.000 1.026 1104 K CA -0.863 55.415 56.287 -0.013 0.000 1.070 1104 K CB 0.128 32.619 32.500 -0.016 0.000 0.887 1104 K HN 0.332 nan 8.250 nan 0.000 0.481 1105 P HA -0.211 nan 4.420 nan 0.000 0.219 1105 P C 1.156 178.453 177.300 -0.004 0.000 1.146 1105 P CA 1.263 64.360 63.100 -0.004 0.000 0.808 1105 P CB 0.209 31.907 31.700 -0.003 0.000 0.779 1106 S N -1.556 114.141 115.700 -0.005 0.000 2.489 1106 S HA -0.012 4.460 4.470 0.003 0.000 0.228 1106 S C 0.908 175.505 174.600 -0.005 0.000 0.995 1106 S CA 0.173 58.370 58.200 -0.004 0.000 0.934 1106 S CB -1.084 62.114 63.200 -0.003 0.000 0.771 1106 S HN 0.033 nan 8.310 nan 0.000 0.522 1107 I N 2.525 123.091 120.570 -0.007 0.000 2.556 1107 I HA 0.152 4.324 4.170 0.003 0.000 0.284 1107 I C 0.817 176.932 176.117 -0.004 0.000 1.114 1107 I CA -0.269 61.027 61.300 -0.007 0.000 1.418 1107 I CB 0.556 38.550 38.000 -0.011 0.000 1.394 1107 I HN 0.170 nan 8.210 nan 0.000 0.552 1108 R N 6.125 126.622 120.500 -0.005 0.000 2.210 1108 R HA 0.353 4.695 4.340 0.003 0.000 0.338 1108 R C -1.228 175.078 176.300 0.011 0.000 1.062 1108 R CA -0.421 55.677 56.100 -0.004 0.000 0.902 1108 R CB 0.592 30.883 30.300 -0.015 0.000 1.050 1108 R HN 0.449 nan 8.270 nan 0.000 0.461 1109 V N 6.157 126.083 119.914 0.019 0.000 2.406 1109 V HA 0.201 4.323 4.120 0.003 0.000 0.272 1109 V C -0.121 176.001 176.094 0.047 0.000 1.043 1109 V CA -0.523 61.803 62.300 0.043 0.000 0.915 1109 V CB 1.485 33.335 31.823 0.044 0.000 0.988 1109 V HN 0.483 nan 8.190 nan 0.000 0.466 1110 V N 6.166 126.130 119.914 0.084 0.000 2.417 1110 V HA 0.459 4.581 4.120 0.003 0.000 0.291 1110 V C -0.129 176.033 176.094 0.114 0.000 1.024 1110 V CA -0.554 61.797 62.300 0.086 0.000 0.861 1110 V CB 1.850 33.772 31.823 0.166 0.000 0.985 1110 V HN 0.586 nan 8.190 nan 0.000 0.436 1111 V N 5.536 125.467 119.914 0.028 0.000 2.409 1111 V HA 0.463 4.585 4.120 0.003 0.000 0.291 1111 V C -1.048 174.988 176.094 -0.096 0.000 1.020 1111 V CA -0.713 61.609 62.300 0.038 0.000 0.848 1111 V CB 1.486 33.336 31.823 0.044 0.000 0.990 1111 V HN 0.741 nan 8.190 nan 0.000 0.430 1112 Y N 2.843 123.045 120.300 -0.163 0.000 2.331 1112 Y HA 0.534 5.086 4.550 0.003 0.000 0.338 1112 Y C 0.294 175.799 175.900 -0.659 0.000 0.992 1112 Y CA -0.488 57.281 58.100 -0.551 0.000 1.121 1112 Y CB 1.858 39.771 38.460 -0.912 0.000 1.184 1112 Y HN 0.564 nan 8.280 nan 0.000 0.469 1113 Q N 2.928 122.394 119.800 -0.556 0.000 2.390 1113 Q HA 0.206 4.548 4.340 0.003 0.000 0.249 1113 Q C -0.224 175.520 176.000 -0.428 0.000 0.996 1113 Q CA 0.016 55.488 55.803 -0.551 0.000 0.899 1113 Q CB 0.234 28.341 28.738 -1.052 0.000 1.216 1113 Q HN 0.679 nan 8.270 nan 0.000 0.465 1114 H N 1.618 120.620 119.070 -0.112 0.000 2.553 1114 H HA 0.192 4.750 4.556 0.003 0.000 0.265 1114 H C -0.489 174.822 175.328 -0.028 0.000 0.964 1114 H CA 0.189 56.241 56.048 0.006 0.000 1.156 1114 H CB 0.815 30.565 29.762 -0.019 0.000 1.411 1114 H HN 0.523 nan 8.280 nan 0.000 0.558 1115 D N -0.738 119.638 120.400 -0.040 0.000 2.387 1115 D HA 0.154 4.796 4.640 0.003 0.000 0.255 1115 D C 1.197 177.300 176.300 -0.329 0.000 1.081 1115 D CA -0.386 53.506 54.000 -0.180 0.000 0.994 1115 D CB 1.383 42.175 40.800 -0.013 0.000 1.127 1115 D HN 0.203 nan 8.370 nan 0.000 0.513 1116 H N -0.502 118.535 119.070 -0.055 0.000 2.334 1116 H HA 0.103 4.661 4.556 0.003 0.000 0.307 1116 H C 0.702 175.857 175.328 -0.288 0.000 1.092 1116 H CA 0.137 56.025 56.048 -0.267 0.000 1.567 1116 H CB -0.502 28.802 29.762 -0.764 0.000 1.505 1116 H HN 0.271 nan 8.280 nan 0.000 0.637 1117 S N 1.569 117.094 115.700 -0.291 0.000 2.579 1117 S HA 0.063 4.535 4.470 0.003 0.000 0.275 1117 S C 1.870 176.513 174.600 0.071 0.000 1.345 1117 S CA 0.136 58.266 58.200 -0.116 0.000 1.031 1117 S CB 0.753 63.880 63.200 -0.123 0.000 0.892 1117 S HN 0.244 nan 8.310 nan 0.000 0.529 1118 V N 4.285 124.272 119.914 0.121 0.000 2.490 1118 V HA -0.099 4.023 4.120 0.003 0.000 0.250 1118 V C 2.134 178.286 176.094 0.096 0.000 1.061 1118 V CA 1.954 64.319 62.300 0.107 0.000 1.064 1118 V CB -1.369 30.504 31.823 0.084 0.000 0.670 1118 V HN 0.861 nan 8.190 nan 0.000 0.461 1119 L N 0.540 121.818 121.223 0.092 0.000 2.013 1119 L HA -0.185 4.156 4.340 0.003 0.000 0.212 1119 L C 2.657 179.589 176.870 0.103 0.000 1.073 1119 L CA 2.403 57.300 54.840 0.095 0.000 0.753 1119 L CB -0.299 41.822 42.059 0.103 0.000 0.890 1119 L HN 0.446 nan 8.230 nan 0.000 0.432 1120 S N -0.089 115.676 115.700 0.108 0.000 2.357 1120 S HA -0.101 4.371 4.470 0.003 0.000 0.221 1120 S C 1.852 176.520 174.600 0.113 0.000 1.031 1120 S CA 1.237 59.505 58.200 0.113 0.000 0.982 1120 S CB -0.370 62.900 63.200 0.117 0.000 0.853 1120 S HN 0.376 nan 8.310 nan 0.000 0.458 1121 L N 1.117 122.414 121.223 0.123 0.000 2.081 1121 L HA -0.133 4.209 4.340 0.003 0.000 0.212 1121 L C 2.488 179.460 176.870 0.169 0.000 1.080 1121 L CA 1.286 56.223 54.840 0.162 0.000 0.754 1121 L CB -0.486 41.692 42.059 0.198 0.000 0.893 1121 L HN 0.228 nan 8.230 nan 0.000 0.433 1122 R N -0.175 120.406 120.500 0.135 0.000 2.299 1122 R HA 0.005 4.347 4.340 0.003 0.000 0.197 1122 R C 1.639 178.008 176.300 0.114 0.000 0.971 1122 R CA 0.179 56.356 56.100 0.129 0.000 1.030 1122 R CB -0.026 30.334 30.300 0.100 0.000 0.932 1122 R HN 0.357 nan 8.270 nan 0.000 0.477 1123 R N 0.580 121.144 120.500 0.107 0.000 2.325 1123 R HA 0.060 4.401 4.340 0.003 0.000 0.214 1123 R C -0.280 176.073 176.300 0.087 0.000 0.961 1123 R CA 0.151 56.306 56.100 0.092 0.000 1.086 1123 R CB -0.133 30.222 30.300 0.092 0.000 1.037 1123 R HN 0.239 nan 8.270 nan 0.000 0.493 1124 N N 0.053 118.814 118.700 0.102 0.000 2.443 1124 N HA 0.436 5.178 4.740 0.003 0.000 0.293 1124 N C -1.163 174.398 175.510 0.086 0.000 1.159 1124 N CA -0.554 52.548 53.050 0.086 0.000 0.904 1124 N CB 1.661 40.216 38.487 0.112 0.000 1.214 1124 N HN -0.122 nan 8.380 nan 0.000 0.513 1125 L N 0.468 121.719 121.223 0.048 0.000 2.385 1125 L HA 0.510 4.851 4.340 0.003 0.000 0.273 1125 L C 0.769 177.678 176.870 0.066 0.000 0.990 1125 L CA -0.533 54.343 54.840 0.059 0.000 0.821 1125 L CB 1.889 43.975 42.059 0.044 0.000 1.279 1125 L HN 0.883 nan 8.230 nan 0.000 0.412 1126 G N 1.950 110.812 108.800 0.103 0.000 2.143 1126 G HA2 -0.303 3.659 3.960 0.003 0.000 0.248 1126 G HA3 -0.303 3.659 3.960 0.003 0.000 0.248 1126 G C 0.514 175.486 174.900 0.120 0.000 0.991 1126 G CA 0.545 45.737 45.100 0.154 0.000 0.689 1126 G HN 0.553 nan 8.290 nan 0.000 0.522 1127 L N 0.755 122.015 121.223 0.061 0.000 2.093 1127 L HA 0.202 4.543 4.340 0.003 0.000 0.208 1127 L C 2.444 179.147 176.870 -0.279 0.000 1.085 1127 L CA 2.952 57.806 54.840 0.024 0.000 0.755 1127 L CB -0.389 41.784 42.059 0.190 0.000 0.904 1127 L HN 0.512 nan 8.230 nan 0.000 0.435 1128 E N -0.517 119.363 120.200 -0.533 0.000 2.051 1128 E HA -0.281 4.071 4.350 0.003 0.000 0.192 1128 E C 1.896 178.177 176.600 -0.533 0.000 0.991 1128 E CA 1.566 57.317 56.400 -1.082 0.000 0.799 1128 E CB 0.006 29.102 29.700 -1.007 0.000 0.748 1128 E HN 0.569 nan 8.360 nan 0.000 0.449 1129 E N -0.289 119.755 120.200 -0.261 0.000 2.153 1129 E HA -0.126 4.226 4.350 0.003 0.000 0.194 1129 E C 2.015 178.560 176.600 -0.091 0.000 0.988 1129 E CA 1.710 58.026 56.400 -0.141 0.000 0.811 1129 E CB -0.143 29.514 29.700 -0.071 0.000 0.746 1129 E HN 0.226 nan 8.360 nan 0.000 0.466 1130 T N -0.010 114.519 114.554 -0.041 0.000 2.777 1130 T HA -0.105 4.246 4.350 0.003 0.000 0.266 1130 T C 2.003 176.706 174.700 0.006 0.000 1.040 1130 T CA 1.117 63.236 62.100 0.032 0.000 1.141 1130 T CB -0.264 68.686 68.868 0.138 0.000 0.868 1130 T HN -0.018 nan 8.240 nan 0.000 0.444 1131 V N 1.590 121.474 119.914 -0.051 0.000 2.407 1131 V HA -0.158 3.963 4.120 0.003 0.000 0.248 1131 V C 2.556 178.674 176.094 0.041 0.000 1.055 1131 V CA 1.584 63.895 62.300 0.018 0.000 1.049 1131 V CB -0.579 31.233 31.823 -0.019 0.000 0.662 1131 V HN 0.394 nan 8.190 nan 0.000 0.455 1132 R N -0.233 120.258 120.500 -0.015 0.000 2.148 1132 R HA -0.122 4.220 4.340 0.003 0.000 0.227 1132 R C 2.423 178.739 176.300 0.027 0.000 1.103 1132 R CA 1.109 57.235 56.100 0.042 0.000 0.983 1132 R CB -0.236 30.050 30.300 -0.024 0.000 0.874 1132 R HN 0.303 nan 8.270 nan 0.000 0.451 1133 R N 1.333 121.835 120.500 0.004 0.000 2.173 1133 R HA 0.144 4.486 4.340 0.003 0.000 0.208 1133 R C 0.030 176.338 176.300 0.014 0.000 1.035 1133 R CA 0.591 56.694 56.100 0.004 0.000 1.004 1133 R CB -0.074 30.221 30.300 -0.009 0.000 0.917 1133 R HN 0.099 nan 8.270 nan 0.000 0.462 1134 A N 0.974 123.808 122.820 0.024 0.000 2.540 1134 A HA 0.022 4.344 4.320 0.003 0.000 0.239 1134 A C 0.071 177.657 177.584 0.004 0.000 1.061 1134 A CA 0.431 52.481 52.037 0.022 0.000 0.758 1134 A CB 0.133 19.151 19.000 0.031 0.000 0.991 1134 A HN 0.476 nan 8.150 nan 0.000 0.502 1135 D N 0.456 120.854 120.400 -0.004 0.000 2.366 1135 D HA 0.166 4.808 4.640 0.003 0.000 0.205 1135 D C -0.294 175.989 176.300 -0.029 0.000 1.022 1135 D CA 0.964 54.955 54.000 -0.015 0.000 0.868 1135 D CB 0.599 41.392 40.800 -0.013 0.000 0.953 1135 D HN 0.253 nan 8.370 nan 0.000 0.514 1136 V N 1.755 121.640 119.914 -0.049 0.000 2.733 1136 V HA 0.395 4.516 4.120 0.003 0.000 0.306 1136 V C -0.555 175.431 176.094 -0.180 0.000 1.084 1136 V CA -0.717 61.514 62.300 -0.117 0.000 0.905 1136 V CB 2.795 34.514 31.823 -0.174 0.000 1.010 1136 V HN -0.111 nan 8.190 nan 0.000 0.424 1137 I N 4.255 124.682 120.570 -0.238 0.000 2.545 1137 I HA 0.610 4.782 4.170 0.003 0.000 0.292 1137 I C -1.221 174.680 176.117 -0.360 0.000 1.040 1137 I CA -0.338 60.842 61.300 -0.200 0.000 1.068 1137 I CB 2.090 40.089 38.000 -0.001 0.000 1.251 1137 I HN 0.417 nan 8.210 nan 0.000 0.424 1138 F N 3.193 122.978 119.950 -0.276 0.000 2.563 1138 F HA 0.658 5.186 4.527 0.003 0.000 0.316 1138 F C 0.240 175.944 175.800 -0.159 0.000 1.076 1138 F CA -0.464 57.383 58.000 -0.257 0.000 0.921 1138 F CB 2.370 40.899 39.000 -0.785 0.000 1.209 1138 F HN 0.471 nan 8.300 nan 0.000 0.462 1139 S N 0.021 115.943 115.700 0.369 0.000 2.607 1139 S HA 0.384 4.856 4.470 0.003 0.000 0.273 1139 S C -0.220 174.528 174.600 0.246 0.000 1.148 1139 S CA -0.779 57.568 58.200 0.246 0.000 0.833 1139 S CB 1.483 64.836 63.200 0.254 0.000 1.130 1139 S HN 0.684 nan 8.310 nan 0.000 0.470 1140 H N 0.531 119.679 119.070 0.131 0.000 2.529 1140 H HA 0.352 4.910 4.556 0.003 0.000 0.277 1140 H C 0.498 175.847 175.328 0.034 0.000 0.999 1140 H CA 1.295 57.292 56.048 -0.085 0.000 1.256 1140 H CB 0.356 30.106 29.762 -0.020 0.000 1.402 1140 H HN 0.633 nan 8.280 nan 0.000 0.566 1141 S N -0.273 115.565 115.700 0.229 0.000 2.543 1141 S HA 0.133 4.605 4.470 0.003 0.000 0.273 1141 S C -0.043 174.641 174.600 0.141 0.000 1.152 1141 S CA -0.828 57.470 58.200 0.163 0.000 0.910 1141 S CB 1.423 64.718 63.200 0.159 0.000 1.105 1141 S HN -0.015 nan 8.310 nan 0.000 0.465 1142 D N 2.262 122.715 120.400 0.088 0.000 2.264 1142 D HA -0.011 4.631 4.640 0.003 0.000 0.208 1142 D C 0.731 177.050 176.300 0.031 0.000 0.966 1142 D CA 0.883 54.916 54.000 0.056 0.000 0.864 1142 D CB 0.045 40.861 40.800 0.027 0.000 0.933 1142 D HN 0.515 nan 8.370 nan 0.000 0.499 1143 N N 0.346 119.056 118.700 0.017 0.000 2.214 1143 N HA 0.092 4.834 4.740 0.003 0.000 0.214 1143 N C 0.909 176.389 175.510 -0.051 0.000 1.132 1143 N CA -0.043 52.989 53.050 -0.031 0.000 0.856 1143 N CB 1.155 39.603 38.487 -0.064 0.000 1.020 1143 N HN 0.013 nan 8.380 nan 0.000 0.509 1144 G N 0.358 109.186 108.800 0.047 0.000 2.651 1144 G HA2 0.008 3.970 3.960 0.003 0.000 0.260 1144 G HA3 0.008 3.970 3.960 0.003 0.000 0.260 1144 G C 0.588 175.567 174.900 0.131 0.000 1.216 1144 G CA -0.229 44.947 45.100 0.127 0.000 0.913 1144 G HN -0.039 nan 8.290 nan 0.000 0.535 1145 D N -0.600 119.952 120.400 0.253 0.000 2.144 1145 D HA -0.138 4.504 4.640 0.003 0.000 0.199 1145 D C 1.912 178.288 176.300 0.128 0.000 0.984 1145 D CA 0.788 54.893 54.000 0.175 0.000 0.834 1145 D CB -0.171 40.784 40.800 0.259 0.000 0.955 1145 D HN 0.292 nan 8.370 nan 0.000 0.465 1146 F N 1.866 121.864 119.950 0.080 0.000 2.095 1146 F HA -0.217 4.312 4.527 0.002 0.000 0.298 1146 F C 1.803 177.607 175.800 0.006 0.000 1.104 1146 F CA 1.459 59.486 58.000 0.045 0.000 1.232 1146 F CB -0.288 38.779 39.000 0.112 0.000 0.987 1146 F HN -0.147 nan 8.300 nan 0.000 0.475 1147 N N 0.153 118.867 118.700 0.024 0.000 2.135 1147 N HA -0.108 4.633 4.740 0.003 0.000 0.186 1147 N C 1.600 177.025 175.510 -0.141 0.000 1.027 1147 N CA 1.334 54.328 53.050 -0.094 0.000 0.849 1147 N CB -0.176 38.339 38.487 0.047 0.000 1.002 1147 N HN 0.102 nan 8.380 nan 0.000 0.425 1148 K N -0.109 120.238 120.400 -0.088 0.000 2.314 1148 K HA 0.184 4.505 4.320 0.003 0.000 0.198 1148 K C 1.392 177.915 176.600 -0.128 0.000 1.045 1148 K CA 0.344 56.572 56.287 -0.097 0.000 0.988 1148 K CB 0.250 32.708 32.500 -0.069 0.000 0.783 1148 K HN 0.105 nan 8.250 nan 0.000 0.484 1149 V N 0.129 119.946 119.914 -0.162 0.000 2.870 1149 V HA -0.038 4.084 4.120 0.003 0.000 0.232 1149 V C 1.989 177.866 176.094 -0.362 0.000 1.161 1149 V CA 0.343 62.526 62.300 -0.195 0.000 1.204 1149 V CB -0.366 31.383 31.823 -0.125 0.000 1.003 1149 V HN -0.064 nan 8.190 nan 0.000 0.499 1150 L N -0.335 120.576 121.223 -0.519 0.000 2.017 1150 L HA -0.117 4.225 4.340 0.003 0.000 0.208 1150 L C 2.489 178.607 176.870 -1.254 0.000 1.073 1150 L CA 1.946 56.138 54.840 -1.081 0.000 0.745 1150 L CB -0.831 40.499 42.059 -1.214 0.000 0.894 1150 L HN 0.221 nan 8.230 nan 0.000 0.432 1151 M N -0.526 118.612 119.600 -0.770 0.000 2.108 1151 M HA -0.217 4.265 4.480 0.003 0.000 0.261 1151 M C 2.152 178.416 176.300 -0.060 0.000 1.066 1151 M CA 1.684 56.827 55.300 -0.262 0.000 1.107 1151 M CB -0.953 31.485 32.600 -0.270 0.000 1.356 1151 M HN 0.235 nan 8.290 nan 0.000 0.406 1152 K N -0.489 119.810 120.400 -0.169 0.000 2.365 1152 K HA -0.130 4.191 4.320 0.003 0.000 0.199 1152 K C 1.862 178.400 176.600 -0.103 0.000 1.045 1152 K CA 0.715 56.954 56.287 -0.081 0.000 0.962 1152 K CB -0.005 32.437 32.500 -0.096 0.000 0.759 1152 K HN 0.437 nan 8.250 nan 0.000 0.469 1153 E N -0.089 119.958 120.200 -0.256 0.000 2.122 1153 E HA -0.113 4.239 4.350 0.003 0.000 0.190 1153 E C 1.213 177.722 176.600 -0.152 0.000 0.977 1153 E CA 0.529 56.775 56.400 -0.257 0.000 0.820 1153 E CB 0.214 29.660 29.700 -0.422 0.000 0.770 1153 E HN 0.320 nan 8.360 nan 0.000 0.462 1154 W N -0.375 120.846 121.300 -0.133 0.000 2.576 1154 W HA 0.040 4.701 4.660 0.002 0.000 0.270 1154 W C 0.141 176.318 176.519 -0.570 0.000 1.255 1154 W CA 0.208 57.350 57.345 -0.339 0.000 1.314 1154 W CB -0.156 29.062 29.460 -0.404 0.000 1.101 1154 W HN 0.058 nan 8.180 nan 0.000 0.595 1155 Y N 1.495 121.878 120.300 0.137 0.000 2.658 1155 Y HA 0.300 4.852 4.550 0.003 0.000 0.362 1155 Y C -1.906 174.001 175.900 0.011 0.000 1.017 1155 Y CA -2.805 55.334 58.100 0.064 0.000 1.134 1155 Y CB -0.210 38.278 38.460 0.046 0.000 1.144 1155 Y HN -0.310 nan 8.280 nan 0.000 0.655 1156 P HA -0.029 nan 4.420 nan 0.000 0.265 1156 P C 0.022 177.349 177.300 0.045 0.000 1.193 1156 P CA 0.311 63.435 63.100 0.040 0.000 0.765 1156 P CB 1.188 32.899 31.700 0.018 0.000 0.823 1157 E N 0.763 120.976 120.200 0.022 0.000 2.485 1157 E HA 0.021 4.372 4.350 0.003 0.000 0.194 1157 E C 0.091 176.697 176.600 0.009 0.000 1.098 1157 E CA 0.343 56.751 56.400 0.013 0.000 0.878 1157 E CB -0.136 29.563 29.700 -0.002 0.000 0.939 1157 E HN 0.550 nan 8.360 nan 0.000 0.503 1158 T N -1.830 112.732 114.554 0.013 0.000 3.186 1158 T HA 0.383 4.735 4.350 0.003 0.000 0.320 1158 T C -0.115 174.594 174.700 0.016 0.000 0.955 1158 T CA -1.015 61.091 62.100 0.010 0.000 1.030 1158 T CB 0.688 69.559 68.868 0.005 0.000 1.013 1158 T HN -0.029 nan 8.240 nan 0.000 0.454 1159 V N 1.354 121.279 119.914 0.018 0.000 3.036 1159 V HA 0.735 4.856 4.120 0.003 0.000 0.308 1159 V C 1.461 177.570 176.094 0.026 0.000 1.070 1159 V CA -0.156 62.159 62.300 0.024 0.000 1.056 1159 V CB 1.155 32.992 31.823 0.025 0.000 1.084 1159 V HN 0.924 nan 8.190 nan 0.000 0.471 1160 S N 0.960 116.682 115.700 0.037 0.000 2.213 1160 S HA 0.102 4.574 4.470 0.003 0.000 0.164 1160 S C 1.034 175.668 174.600 0.056 0.000 1.370 1160 S CA 1.593 59.823 58.200 0.051 0.000 2.315 1160 S CB -0.215 63.027 63.200 0.069 0.000 0.448 1160 S HN 0.913 nan 8.310 nan 0.000 0.350 1161 L N -2.715 118.565 121.223 0.094 0.000 2.567 1161 L HA 0.419 4.761 4.340 0.003 0.000 0.228 1161 L C 0.837 177.713 176.870 0.010 0.000 1.046 1161 L CA 0.206 55.089 54.840 0.071 0.000 1.013 1161 L CB 0.098 42.253 42.059 0.160 0.000 1.944 1161 L HN 0.498 nan 8.230 nan 0.000 0.510 1162 F N 1.440 121.392 119.950 0.003 0.000 2.727 1162 F HA 0.096 4.625 4.527 0.003 0.000 0.302 1162 F C 1.294 177.096 175.800 0.005 0.000 1.097 1162 F CA -0.567 57.435 58.000 0.003 0.000 1.330 1162 F CB 0.045 39.047 39.000 0.002 0.000 1.084 1162 F HN 0.231 nan 8.300 nan 0.000 0.578 1163 D N -0.973 119.508 120.400 0.135 0.000 2.453 1163 D HA 0.125 4.767 4.640 0.003 0.000 0.282 1163 D C -0.558 175.768 176.300 0.043 0.000 1.222 1163 D CA -0.185 53.865 54.000 0.084 0.000 1.079 1163 D CB 0.609 41.450 40.800 0.068 0.000 1.128 1163 D HN -0.116 nan 8.370 nan 0.000 0.568 1164 D N -1.608 118.815 120.400 0.039 0.000 2.419 1164 D HA 0.246 4.887 4.640 0.003 0.000 0.234 1164 D C 1.176 177.497 176.300 0.035 0.000 1.014 1164 D CA -0.591 53.426 54.000 0.029 0.000 0.919 1164 D CB 1.714 42.533 40.800 0.032 0.000 1.366 1164 D HN 0.345 nan 8.370 nan 0.000 0.490 1165 I N -0.940 119.646 120.570 0.027 0.000 2.252 1165 I HA -0.047 4.125 4.170 0.003 0.000 0.245 1165 I C 0.807 176.961 176.117 0.061 0.000 1.102 1165 I CA 0.549 61.869 61.300 0.034 0.000 1.385 1165 I CB -1.074 36.936 38.000 0.016 0.000 1.064 1165 I HN 0.598 nan 8.210 nan 0.000 0.414 1166 E N 2.434 122.672 120.200 0.063 0.000 2.497 1166 E HA -0.257 4.095 4.350 0.003 0.000 0.223 1166 E C -0.405 176.255 176.600 0.100 0.000 1.892 1166 E CA 0.265 56.722 56.400 0.095 0.000 0.805 1166 E CB -0.535 29.259 29.700 0.157 0.000 0.957 1166 E HN 0.663 nan 8.360 nan 0.000 0.326 1167 E N 1.321 121.532 120.200 0.017 0.000 2.413 1167 E HA 0.224 4.576 4.350 0.003 0.000 0.263 1167 E C 0.323 176.818 176.600 -0.175 0.000 1.015 1167 E CA 0.259 56.632 56.400 -0.045 0.000 0.916 1167 E CB 0.707 30.367 29.700 -0.067 0.000 0.947 1167 E HN 0.532 nan 8.360 nan 0.000 0.440 1168 A N 4.994 127.654 122.820 -0.266 0.000 2.483 1168 A HA 0.191 4.512 4.320 0.003 0.000 0.238 1168 A C -1.825 175.434 177.584 -0.542 0.000 1.070 1168 A CA -1.049 50.568 52.037 -0.699 0.000 0.770 1168 A CB -0.260 18.502 19.000 -0.396 0.000 1.008 1168 A HN 0.420 nan 8.150 nan 0.000 0.497 1169 P HA 0.191 nan 4.420 nan 0.000 0.274 1169 P C -0.296 176.824 177.300 -0.300 0.000 1.246 1169 P CA -0.143 62.744 63.100 -0.356 0.000 0.795 1169 P CB 0.306 31.835 31.700 -0.284 0.000 1.006 1170 T N 0.588 114.967 114.554 -0.292 0.000 2.901 1170 T HA 0.239 4.591 4.350 0.003 0.000 0.301 1170 T C 0.159 174.564 174.700 -0.492 0.000 1.012 1170 T CA -0.128 61.723 62.100 -0.415 0.000 1.135 1170 T CB 0.230 68.771 68.868 -0.546 0.000 0.936 1170 T HN 0.116 nan 8.240 nan 0.000 0.539 1171 V N 4.275 123.923 119.914 -0.442 0.000 2.409 1171 V HA 0.375 4.497 4.120 0.003 0.000 0.291 1171 V C -0.908 174.962 176.094 -0.374 0.000 1.020 1171 V CA -0.957 61.171 62.300 -0.286 0.000 0.848 1171 V CB 0.647 32.467 31.823 -0.006 0.000 0.990 1171 V HN 0.760 nan 8.190 nan 0.000 0.430 1172 Y N 2.705 122.903 120.300 -0.170 0.000 2.352 1172 Y HA 0.349 4.900 4.550 0.003 0.000 0.326 1172 Y C 0.827 176.826 175.900 0.166 0.000 1.166 1172 Y CA -0.478 57.568 58.100 -0.091 0.000 1.182 1172 Y CB 0.883 39.150 38.460 -0.322 0.000 1.216 1172 Y HN 0.593 nan 8.280 nan 0.000 0.474 1173 N N 2.366 121.288 118.700 0.371 0.000 2.513 1173 N HA 0.328 5.070 4.740 0.003 0.000 0.274 1173 N C -1.367 174.438 175.510 0.492 0.000 1.189 1173 N CA -0.027 53.230 53.050 0.347 0.000 0.975 1173 N CB 0.839 39.439 38.487 0.188 0.000 1.157 1173 N HN 0.616 nan 8.380 nan 0.000 0.465 1174 F N -0.561 119.482 119.950 0.156 0.000 2.686 1174 F HA 0.434 4.963 4.527 0.003 0.000 0.311 1174 F C -1.607 174.185 175.800 -0.013 0.000 1.128 1174 F CA -0.950 57.069 58.000 0.030 0.000 0.946 1174 F CB 1.135 40.070 39.000 -0.108 0.000 1.336 1174 F HN 0.304 nan 8.300 nan 0.000 0.457 1175 Q N 2.479 122.120 119.800 -0.265 0.000 2.342 1175 Q HA 0.444 4.786 4.340 0.003 0.000 0.267 1175 Q C -2.764 173.133 176.000 -0.172 0.000 1.038 1175 Q CA -2.338 53.252 55.803 -0.355 0.000 0.832 1175 Q CB 2.779 31.355 28.738 -0.270 0.000 1.323 1175 Q HN 0.396 nan 8.270 nan 0.000 0.448 1176 P HA 0.192 nan 4.420 nan 0.000 0.284 1176 P C -2.705 174.538 177.300 -0.096 0.000 1.343 1176 P CA -1.508 61.675 63.100 0.139 0.000 0.826 1176 P CB 0.623 32.333 31.700 0.017 0.000 0.956 1177 P HA 0.445 nan 4.420 nan 0.000 0.279 1177 P C -0.359 177.085 177.300 0.239 0.000 1.252 1177 P CA -0.484 62.509 63.100 -0.179 0.000 0.811 1177 P CB 0.891 32.153 31.700 -0.730 0.000 1.035 1178 M N 1.049 120.801 119.600 0.253 0.000 2.484 1178 M HA 0.326 4.808 4.480 0.003 0.000 0.289 1178 M C -1.299 175.160 176.300 0.266 0.000 1.206 1178 M CA -0.799 54.718 55.300 0.362 0.000 0.892 1178 M CB 2.197 35.068 32.600 0.451 0.000 1.712 1178 M HN 0.122 nan 8.290 nan 0.000 0.462 1179 D N 4.048 124.604 120.400 0.260 0.000 2.416 1179 D HA 0.195 4.837 4.640 0.003 0.000 0.240 1179 D C 0.867 177.320 176.300 0.255 0.000 1.250 1179 D CA 0.217 54.359 54.000 0.235 0.000 0.967 1179 D CB 0.097 41.017 40.800 0.199 0.000 1.059 1179 D HN 0.652 nan 8.370 nan 0.000 0.512 1180 I N 2.576 123.314 120.570 0.280 0.000 2.394 1180 I HA -0.240 3.932 4.170 0.003 0.000 0.251 1180 I C 2.250 178.590 176.117 0.372 0.000 1.136 1180 I CA 0.385 61.877 61.300 0.320 0.000 1.425 1180 I CB 0.205 38.374 38.000 0.283 0.000 1.079 1180 I HN 0.263 nan 8.210 nan 0.000 0.425 1181 V N 0.964 121.065 119.914 0.311 0.000 2.295 1181 V HA -0.315 3.807 4.120 0.003 0.000 0.246 1181 V C 2.515 178.728 176.094 0.200 0.000 1.049 1181 V CA 1.968 64.419 62.300 0.252 0.000 1.024 1181 V CB -0.702 31.202 31.823 0.136 0.000 0.648 1181 V HN 0.414 nan 8.190 nan 0.000 0.447 1182 K N -0.031 120.480 120.400 0.184 0.000 2.063 1182 K HA -0.168 4.154 4.320 0.003 0.000 0.208 1182 K C 2.052 178.774 176.600 0.202 0.000 1.048 1182 K CA 1.657 58.036 56.287 0.153 0.000 0.928 1182 K CB -0.208 32.377 32.500 0.142 0.000 0.713 1182 K HN 0.318 nan 8.250 nan 0.000 0.442 1183 V N 1.226 121.310 119.914 0.283 0.000 2.343 1183 V HA -0.231 3.891 4.120 0.003 0.000 0.247 1183 V C 2.530 178.869 176.094 0.408 0.000 1.051 1183 V CA 2.111 64.645 62.300 0.390 0.000 1.036 1183 V CB -0.570 31.473 31.823 0.367 0.000 0.654 1183 V HN 0.417 nan 8.190 nan 0.000 0.451 1184 R N 1.016 121.731 120.500 0.357 0.000 2.081 1184 R HA -0.165 4.176 4.340 0.003 0.000 0.235 1184 R C 2.413 178.805 176.300 0.153 0.000 1.131 1184 R CA 1.895 58.173 56.100 0.295 0.000 0.960 1184 R CB -0.409 29.897 30.300 0.010 0.000 0.856 1184 R HN 0.643 nan 8.270 nan 0.000 0.436 1185 S N -1.451 114.294 115.700 0.075 0.000 2.547 1185 S HA -0.041 4.431 4.470 0.003 0.000 0.235 1185 S C 1.217 175.810 174.600 -0.013 0.000 0.980 1185 S CA 1.309 59.513 58.200 0.006 0.000 0.941 1185 S CB 0.232 63.429 63.200 -0.005 0.000 0.763 1185 S HN 0.370 nan 8.310 nan 0.000 0.532 1186 T N -0.464 114.080 114.554 -0.016 0.000 2.978 1186 T HA 0.303 4.655 4.350 0.003 0.000 0.248 1186 T C 0.490 174.911 174.700 -0.464 0.000 1.018 1186 T CA 0.132 62.073 62.100 -0.266 0.000 1.026 1186 T CB -0.031 68.597 68.868 -0.399 0.000 1.032 1186 T HN 0.552 nan 8.240 nan 0.000 0.485 1187 Y N -1.026 119.349 120.300 0.125 0.000 2.423 1187 Y HA 0.355 4.907 4.550 0.003 0.000 0.257 1187 Y C 0.679 176.655 175.900 0.127 0.000 1.087 1187 Y CA -1.678 56.486 58.100 0.106 0.000 1.258 1187 Y CB 0.473 38.983 38.460 0.085 0.000 1.237 1187 Y HN 0.195 nan 8.280 nan 0.000 0.517 1188 W N 4.494 125.850 121.300 0.093 0.000 2.343 1188 W HA 0.022 4.684 4.660 0.003 0.000 0.337 1188 W C -0.360 176.167 176.519 0.013 0.000 1.320 1188 W CA 0.890 58.253 57.345 0.030 0.000 1.290 1188 W CB 0.586 30.017 29.460 -0.049 0.000 1.206 1188 W HN -0.106 nan 8.180 nan 0.000 0.565 1189 K N 4.198 124.534 120.400 -0.107 0.000 2.221 1189 K HA 0.158 4.480 4.320 0.003 0.000 0.243 1189 K C -0.164 176.424 176.600 -0.020 0.000 0.968 1189 K CA -0.734 55.531 56.287 -0.036 0.000 0.846 1189 K CB 1.204 33.649 32.500 -0.091 0.000 1.141 1189 K HN 0.476 nan 8.250 nan 0.000 0.434 1190 D N 1.023 121.443 120.400 0.035 0.000 2.372 1190 D HA -0.042 4.600 4.640 0.003 0.000 0.243 1190 D C 1.011 177.294 176.300 -0.027 0.000 1.121 1190 D CA -0.008 54.021 54.000 0.049 0.000 0.898 1190 D CB 1.607 42.429 40.800 0.037 0.000 1.202 1190 D HN 0.131 nan 8.370 nan 0.000 0.428 1191 V N 3.615 123.520 119.914 -0.016 0.000 2.546 1191 V HA -0.270 3.852 4.120 0.003 0.000 0.254 1191 V C 2.280 178.288 176.094 -0.144 0.000 1.076 1191 V CA 2.848 65.087 62.300 -0.102 0.000 1.087 1191 V CB -0.502 31.290 31.823 -0.050 0.000 0.674 1191 V HN 0.709 nan 8.190 nan 0.000 0.470 1192 S N -0.961 114.691 115.700 -0.080 0.000 2.474 1192 S HA -0.136 4.335 4.470 0.003 0.000 0.235 1192 S C 1.573 176.125 174.600 -0.079 0.000 0.997 1192 S CA 1.384 59.539 58.200 -0.075 0.000 0.949 1192 S CB -0.437 62.739 63.200 -0.040 0.000 0.766 1192 S HN 0.817 nan 8.310 nan 0.000 0.517 1193 E N 0.357 120.508 120.200 -0.081 0.000 2.478 1193 E HA 0.279 4.630 4.350 0.003 0.000 0.194 1193 E C -0.172 176.368 176.600 -0.099 0.000 1.045 1193 E CA -0.050 56.306 56.400 -0.072 0.000 0.868 1193 E CB 0.119 29.787 29.700 -0.052 0.000 0.885 1193 E HN 0.607 nan 8.360 nan 0.000 0.505 1194 I N 2.127 122.605 120.570 -0.154 0.000 2.365 1194 I HA 0.060 4.231 4.170 0.003 0.000 0.291 1194 I C 0.258 176.274 176.117 -0.169 0.000 1.004 1194 I CA -0.628 60.558 61.300 -0.191 0.000 1.311 1194 I CB 0.726 38.535 38.000 -0.318 0.000 1.401 1194 I HN -0.089 nan 8.210 nan 0.000 0.491 1195 N N 7.504 126.139 118.700 -0.108 0.000 2.439 1195 N HA 0.113 4.855 4.740 0.003 0.000 0.243 1195 N C 0.739 176.227 175.510 -0.036 0.000 1.088 1195 N CA -0.263 52.753 53.050 -0.056 0.000 0.940 1195 N CB 0.874 39.351 38.487 -0.017 0.000 1.180 1195 N HN 0.543 nan 8.380 nan 0.000 0.505 1196 M N 1.746 121.319 119.600 -0.046 0.000 2.346 1196 M HA -0.096 4.386 4.480 0.003 0.000 0.263 1196 M C 0.581 177.026 176.300 0.241 0.000 1.064 1196 M CA 0.845 56.174 55.300 0.048 0.000 1.083 1196 M CB -0.579 32.043 32.600 0.038 0.000 1.399 1196 M HN 0.399 nan 8.290 nan 0.000 0.435 1197 N N 0.280 119.082 118.700 0.170 0.000 2.398 1197 N HA 0.081 4.822 4.740 0.003 0.000 0.188 1197 N C 0.163 175.805 175.510 0.219 0.000 1.122 1197 N CA 0.324 53.498 53.050 0.207 0.000 0.866 1197 N CB 0.544 39.115 38.487 0.140 0.000 0.970 1197 N HN 0.230 nan 8.380 nan 0.000 0.462 1198 I N 1.548 122.240 120.570 0.203 0.000 2.342 1198 I HA 0.156 4.328 4.170 0.003 0.000 0.291 1198 I C -0.297 176.000 176.117 0.300 0.000 1.010 1198 I CA -0.482 60.929 61.300 0.185 0.000 1.308 1198 I CB 0.426 38.487 38.000 0.102 0.000 1.400 1198 I HN -0.136 nan 8.210 nan 0.000 0.488 1199 N N 5.982 124.858 118.700 0.293 0.000 2.479 1199 N HA 0.414 5.155 4.740 0.003 0.000 0.261 1199 N C -0.430 175.233 175.510 0.255 0.000 0.979 1199 N CA -0.634 52.675 53.050 0.432 0.000 0.930 1199 N CB 1.687 40.389 38.487 0.358 0.000 1.172 1199 N HN 0.419 nan 8.380 nan 0.000 0.499 1200 R N 2.121 122.828 120.500 0.345 0.000 2.310 1200 R HA 0.316 4.658 4.340 0.003 0.000 0.324 1200 R C -1.448 175.043 176.300 0.319 0.000 0.955 1200 R CA -0.712 55.521 56.100 0.222 0.000 0.830 1200 R CB 0.994 31.358 30.300 0.107 0.000 1.154 1200 R HN 0.601 nan 8.270 nan 0.000 0.458 1201 W N 7.468 128.789 121.300 0.034 0.000 2.438 1201 W HA 0.488 5.149 4.660 0.002 0.000 0.324 1201 W C -0.816 175.690 176.519 -0.021 0.000 1.119 1201 W CA -0.638 56.732 57.345 0.042 0.000 1.221 1201 W CB 0.768 30.182 29.460 -0.077 0.000 1.253 1201 W HN 0.499 nan 8.180 nan 0.000 0.555 1202 I N 4.614 124.829 120.570 -0.592 0.000 2.647 1202 I HA 1.020 5.192 4.170 0.003 0.000 0.295 1202 I C 0.148 175.604 176.117 -1.101 0.000 1.078 1202 I CA -0.711 60.255 61.300 -0.557 0.000 1.048 1202 I CB 1.846 39.630 38.000 -0.359 0.000 1.239 1202 I HN 0.734 nan 8.210 nan 0.000 0.421 1203 G N 4.562 113.015 108.800 -0.578 0.000 2.513 1203 G HA2 0.429 4.390 3.960 0.003 0.000 0.182 1203 G HA3 0.429 4.390 3.960 0.003 0.000 0.182 1203 G C -1.562 173.325 174.900 -0.022 0.000 1.190 1203 G CA -0.568 44.253 45.100 -0.466 0.000 0.987 1203 G HN 1.025 nan 8.290 nan 0.000 0.479 1204 R N -1.572 118.978 120.500 0.083 0.000 2.766 1204 R HA 0.656 4.998 4.340 0.003 0.000 0.270 1204 R C -1.077 175.267 176.300 0.073 0.000 1.035 1204 R CA -0.589 55.551 56.100 0.066 0.000 0.911 1204 R CB 0.796 31.069 30.300 -0.046 0.000 1.243 1204 R HN 0.358 nan 8.270 nan 0.000 0.460 1205 T N 1.706 116.236 114.554 -0.040 0.000 4.219 1205 T HA 0.181 4.532 4.350 0.003 0.000 0.263 1205 T C -0.700 174.022 174.700 0.036 0.000 1.217 1205 T CA 0.234 62.246 62.100 -0.147 0.000 1.145 1205 T CB -0.408 68.377 68.868 -0.138 0.000 1.298 1205 T HN 0.413 nan 8.240 nan 0.000 0.999 1206 T N 1.471 116.110 114.554 0.142 0.000 2.928 1206 T HA 0.245 4.597 4.350 0.003 0.000 0.296 1206 T C 1.652 176.410 174.700 0.097 0.000 1.000 1206 T CA -0.794 61.322 62.100 0.026 0.000 0.989 1206 T CB 1.701 70.355 68.868 -0.357 0.000 1.005 1206 T HN 0.502 nan 8.240 nan 0.000 0.442 1207 T N -0.176 114.449 114.554 0.118 0.000 2.778 1207 T HA -0.145 4.207 4.350 0.003 0.000 0.269 1207 T C 1.872 176.522 174.700 -0.083 0.000 1.050 1207 T CA 1.092 63.126 62.100 -0.111 0.000 1.137 1207 T CB -0.396 68.484 68.868 0.020 0.000 0.860 1207 T HN 0.872 nan 8.240 nan 0.000 0.468 1208 W N 1.242 122.523 121.300 -0.031 0.000 2.961 1208 W HA 0.265 4.926 4.660 0.002 0.000 0.240 1208 W C 0.837 177.303 176.519 -0.088 0.000 1.305 1208 W CA -0.194 57.095 57.345 -0.093 0.000 1.465 1208 W CB -0.539 28.874 29.460 -0.079 0.000 1.135 1208 W HN 0.112 nan 8.180 nan 0.000 0.688 1209 K N 0.989 121.292 120.400 -0.161 0.000 2.459 1209 K HA 0.067 4.388 4.320 0.003 0.000 0.193 1209 K C 1.611 178.322 176.600 0.184 0.000 1.030 1209 K CA 0.921 57.178 56.287 -0.050 0.000 1.026 1209 K CB -0.534 31.960 32.500 -0.010 0.000 0.809 1209 K HN 0.334 nan 8.250 nan 0.000 0.504 1210 G N 2.432 111.214 108.800 -0.030 0.000 2.198 1210 G HA2 -0.293 3.668 3.960 0.003 0.000 0.257 1210 G HA3 -0.293 3.668 3.960 0.003 0.000 0.257 1210 G C 0.580 175.374 174.900 -0.176 0.000 1.042 1210 G CA 0.476 45.488 45.100 -0.147 0.000 0.791 1210 G HN 0.419 nan 8.290 nan 0.000 0.502 1211 F N -2.052 117.698 119.950 -0.334 0.000 2.234 1211 F HA 0.151 4.679 4.527 0.003 0.000 0.299 1211 F C 2.226 177.674 175.800 -0.586 0.000 1.087 1211 F CA 1.009 58.438 58.000 -0.951 0.000 1.340 1211 F CB -0.572 37.721 39.000 -1.178 0.000 1.031 1211 F HN 0.205 nan 8.300 nan 0.000 0.500 1212 Y N 0.820 120.814 120.300 -0.510 0.000 2.224 1212 Y HA -0.201 4.351 4.550 0.003 0.000 0.289 1212 Y C 2.446 178.353 175.900 0.013 0.000 1.146 1212 Y CA 1.213 59.266 58.100 -0.079 0.000 1.182 1212 Y CB -0.408 37.916 38.460 -0.226 0.000 0.983 1212 Y HN 0.096 nan 8.280 nan 0.000 0.524 1213 Q N -0.893 118.941 119.800 0.057 0.000 2.224 1213 Q HA -0.180 4.162 4.340 0.003 0.000 0.203 1213 Q C 2.177 178.253 176.000 0.126 0.000 0.970 1213 Q CA 1.290 57.177 55.803 0.139 0.000 0.865 1213 Q CB -0.283 28.500 28.738 0.074 0.000 0.922 1213 Q HN 0.438 nan 8.270 nan 0.000 0.445 1214 M N -1.045 118.489 119.600 -0.110 0.000 2.156 1214 M HA -0.027 4.455 4.480 0.003 0.000 0.264 1214 M C 1.034 177.335 176.300 0.001 0.000 1.067 1214 M CA 1.371 56.573 55.300 -0.164 0.000 1.131 1214 M CB -0.201 32.025 32.600 -0.625 0.000 1.368 1214 M HN 0.139 nan 8.290 nan 0.000 0.416 1215 F N 0.438 120.406 119.950 0.031 0.000 2.126 1215 F HA -0.199 4.329 4.527 0.003 0.000 0.299 1215 F C 2.289 178.208 175.800 0.199 0.000 1.096 1215 F CA 1.931 59.999 58.000 0.114 0.000 1.255 1215 F CB -1.196 37.870 39.000 0.111 0.000 0.997 1215 F HN 0.256 nan 8.300 nan 0.000 0.479 1216 D N -0.628 120.026 120.400 0.423 0.000 2.097 1216 D HA -0.235 4.406 4.640 0.003 0.000 0.195 1216 D C 2.136 178.692 176.300 0.426 0.000 0.989 1216 D CA 1.035 55.256 54.000 0.368 0.000 0.827 1216 D CB -0.387 40.633 40.800 0.366 0.000 0.966 1216 D HN 0.145 nan 8.370 nan 0.000 0.456 1217 F N 0.612 120.768 119.950 0.344 0.000 2.171 1217 F HA -0.113 4.416 4.527 0.003 0.000 0.300 1217 F C 2.277 178.238 175.800 0.268 0.000 1.090 1217 F CA 1.579 59.811 58.000 0.387 0.000 1.293 1217 F CB -0.571 38.738 39.000 0.514 0.000 1.013 1217 F HN 0.182 nan 8.300 nan 0.000 0.486 1218 H N -0.292 118.851 119.070 0.123 0.000 2.326 1218 H HA -0.173 4.385 4.556 0.003 0.000 0.301 1218 H C 2.294 177.590 175.328 -0.053 0.000 1.081 1218 H CA 1.759 57.788 56.048 -0.031 0.000 1.334 1218 H CB -0.191 29.602 29.762 0.052 0.000 1.385 1218 H HN 0.457 nan 8.280 nan 0.000 0.504 1219 E N 0.672 120.859 120.200 -0.022 0.000 2.051 1219 E HA -0.162 4.189 4.350 0.003 0.000 0.192 1219 E C 2.100 178.579 176.600 -0.201 0.000 0.991 1219 E CA 1.188 57.514 56.400 -0.122 0.000 0.799 1219 E CB 0.153 29.865 29.700 0.020 0.000 0.748 1219 E HN 0.446 nan 8.360 nan 0.000 0.449 1220 K N -1.261 119.049 120.400 -0.150 0.000 2.116 1220 K HA -0.024 4.297 4.320 0.003 0.000 0.203 1220 K C 1.455 177.583 176.600 -0.786 0.000 1.052 1220 K CA 1.096 57.167 56.287 -0.361 0.000 0.952 1220 K CB 0.164 32.569 32.500 -0.158 0.000 0.729 1220 K HN 0.154 nan 8.250 nan 0.000 0.446 1221 F N -0.682 118.953 119.950 -0.526 0.000 2.421 1221 F HA 0.159 4.688 4.527 0.003 0.000 0.270 1221 F C 1.741 176.917 175.800 -1.040 0.000 0.894 1221 F CA -0.293 57.190 58.000 -0.862 0.000 1.128 1221 F CB -0.170 38.099 39.000 -1.218 0.000 1.011 1221 F HN -0.228 nan 8.300 nan 0.000 0.788 1222 L N 0.572 121.332 121.223 -0.771 0.000 1.994 1222 L HA -0.199 4.143 4.340 0.003 0.000 0.208 1222 L C 2.453 179.155 176.870 -0.281 0.000 1.071 1222 L CA 1.684 56.247 54.840 -0.463 0.000 0.745 1222 L CB -0.614 41.369 42.059 -0.128 0.000 0.892 1222 L HN 0.113 nan 8.230 nan 0.000 0.431 1223 K N 0.169 120.289 120.400 -0.467 0.000 2.026 1223 K HA -0.158 4.164 4.320 0.003 0.000 0.208 1223 K C -0.370 176.091 176.600 -0.232 0.000 1.048 1223 K CA 1.458 57.491 56.287 -0.423 0.000 0.929 1223 K CB -0.735 31.341 32.500 -0.706 0.000 0.713 1223 K HN 0.172 nan 8.250 nan 0.000 0.439 1224 P HA -0.100 nan 4.420 nan 0.000 0.220 1224 P C 0.370 177.612 177.300 -0.097 0.000 1.148 1224 P CA 1.335 64.329 63.100 -0.176 0.000 0.803 1224 P CB 0.083 31.644 31.700 -0.231 0.000 0.782 1225 A N -1.059 121.706 122.820 -0.091 0.000 2.251 1225 A HA 0.443 4.765 4.320 0.003 0.000 0.209 1225 A C 1.619 179.249 177.584 0.077 0.000 1.187 1225 A CA 0.716 52.786 52.037 0.055 0.000 0.823 1225 A CB -1.202 17.928 19.000 0.217 0.000 0.846 1225 A HN 0.235 nan 8.150 nan 0.000 0.486 1226 G N -0.600 108.218 108.800 0.029 0.000 2.143 1226 G HA2 -0.218 3.744 3.960 0.003 0.000 0.249 1226 G HA3 -0.218 3.744 3.960 0.003 0.000 0.249 1226 G C 0.146 175.100 174.900 0.090 0.000 0.981 1226 G CA 0.416 45.548 45.100 0.053 0.000 0.665 1226 G HN 0.425 nan 8.290 nan 0.000 0.528 1227 K N 0.325 120.788 120.400 0.106 0.000 2.109 1227 K HA 0.735 5.057 4.320 0.003 0.000 0.243 1227 K C 0.217 176.927 176.600 0.182 0.000 1.006 1227 K CA -0.340 56.041 56.287 0.157 0.000 0.917 1227 K CB 1.248 33.866 32.500 0.197 0.000 1.081 1227 K HN 0.155 nan 8.250 nan 0.000 0.468 1228 S N 0.063 115.869 115.700 0.177 0.000 2.532 1228 S HA 0.498 4.970 4.470 0.003 0.000 0.301 1228 S C -0.653 173.992 174.600 0.075 0.000 1.083 1228 S CA -0.686 57.600 58.200 0.144 0.000 1.025 1228 S CB 1.692 64.950 63.200 0.096 0.000 1.056 1228 S HN 0.435 nan 8.310 nan 0.000 0.494 1229 T N 2.042 116.533 114.554 -0.106 0.000 2.848 1229 T HA 0.613 4.965 4.350 0.003 0.000 0.285 1229 T C -0.919 173.688 174.700 -0.155 0.000 0.995 1229 T CA -0.440 61.532 62.100 -0.212 0.000 0.970 1229 T CB 1.288 69.820 68.868 -0.559 0.000 0.976 1229 T HN 0.347 nan 8.240 nan 0.000 0.441 1230 V N 4.376 124.251 119.914 -0.064 0.000 2.656 1230 V HA 0.603 4.724 4.120 0.003 0.000 0.307 1230 V C -0.621 175.481 176.094 0.013 0.000 1.051 1230 V CA -0.830 61.456 62.300 -0.023 0.000 0.893 1230 V CB 1.981 33.799 31.823 -0.009 0.000 0.999 1230 V HN 0.859 nan 8.190 nan 0.000 0.426 1231 M N 3.860 123.476 119.600 0.026 0.000 2.151 1231 M HA 0.513 4.995 4.480 0.003 0.000 0.290 1231 M C -0.789 175.609 176.300 0.164 0.000 0.965 1231 M CA -0.309 55.067 55.300 0.128 0.000 0.930 1231 M CB 2.126 34.638 32.600 -0.146 0.000 1.560 1231 M HN 0.583 nan 8.290 nan 0.000 0.438 1232 E N 1.056 121.388 120.200 0.219 0.000 2.179 1232 E HA 0.627 4.978 4.350 0.003 0.000 0.275 1232 E C 0.690 177.503 176.600 0.355 0.000 0.945 1232 E CA -0.233 56.264 56.400 0.162 0.000 0.792 1232 E CB 1.869 31.511 29.700 -0.097 0.000 1.125 1232 E HN 0.983 nan 8.360 nan 0.000 0.397 1233 G N 2.501 111.500 108.800 0.330 0.000 2.179 1233 G HA2 -0.245 3.717 3.960 0.003 0.000 0.220 1233 G HA3 -0.245 3.717 3.960 0.003 0.000 0.220 1233 G C 0.140 175.105 174.900 0.108 0.000 0.990 1233 G CA -0.525 44.709 45.100 0.224 0.000 0.646 1233 G HN 0.443 nan 8.290 nan 0.000 0.517 1234 L N 2.814 124.102 121.223 0.108 0.000 2.454 1234 L HA 0.312 4.654 4.340 0.003 0.000 0.284 1234 L C 1.111 177.950 176.870 -0.051 0.000 1.139 1234 L CA -0.537 54.323 54.840 0.033 0.000 0.911 1234 L CB 0.338 42.437 42.059 0.067 0.000 1.262 1234 L HN 0.445 nan 8.230 nan 0.000 0.453 1235 E N 5.177 125.333 120.200 -0.073 0.000 2.374 1235 E HA 0.195 4.547 4.350 0.003 0.000 0.260 1235 E C -0.384 176.068 176.600 -0.246 0.000 1.101 1235 E CA -0.583 55.753 56.400 -0.106 0.000 0.907 1235 E CB 1.071 30.736 29.700 -0.058 0.000 1.014 1235 E HN 0.399 nan 8.360 nan 0.000 0.427 1236 R N 0.657 120.979 120.500 -0.297 0.000 2.490 1236 R HA 0.330 4.672 4.340 0.003 0.000 0.280 1236 R C -0.148 176.099 176.300 -0.087 0.000 1.077 1236 R CA 0.248 56.140 56.100 -0.346 0.000 1.065 1236 R CB 0.742 30.838 30.300 -0.340 0.000 1.003 1236 R HN 0.875 nan 8.270 nan 0.000 0.470 1237 S N 1.130 116.843 115.700 0.021 0.000 2.688 1237 S HA 0.159 4.631 4.470 0.003 0.000 0.266 1237 S C -2.648 172.004 174.600 0.086 0.000 1.061 1237 S CA -1.164 57.064 58.200 0.046 0.000 0.844 1237 S CB 1.469 64.696 63.200 0.046 0.000 1.103 1237 S HN 0.240 nan 8.310 nan 0.000 0.471 1238 P HA -0.013 nan 4.420 nan 0.000 0.216 1238 P C 1.657 179.012 177.300 0.091 0.000 1.150 1238 P CA 2.413 65.556 63.100 0.072 0.000 0.843 1238 P CB -0.253 31.484 31.700 0.062 0.000 0.787 1239 A N -1.462 121.423 122.820 0.108 0.000 1.933 1239 A HA -0.203 4.119 4.320 0.003 0.000 0.218 1239 A C 2.097 179.739 177.584 0.096 0.000 1.175 1239 A CA 1.333 53.453 52.037 0.138 0.000 0.628 1239 A CB -1.785 17.312 19.000 0.161 0.000 0.814 1239 A HN 0.154 nan 8.150 nan 0.000 0.444 1240 F N 0.493 120.397 119.950 -0.078 0.000 2.186 1240 F HA -0.080 4.449 4.527 0.003 0.000 0.299 1240 F C 1.904 177.636 175.800 -0.113 0.000 1.090 1240 F CA 1.414 59.303 58.000 -0.185 0.000 1.307 1240 F CB -0.152 38.700 39.000 -0.248 0.000 1.019 1240 F HN 0.163 nan 8.300 nan 0.000 0.489 1241 I N 0.143 120.747 120.570 0.056 0.000 2.423 1241 I HA -0.329 3.843 4.170 0.003 0.000 0.254 1241 I C 2.576 178.673 176.117 -0.032 0.000 1.151 1241 I CA 1.060 62.374 61.300 0.023 0.000 1.421 1241 I CB -0.833 37.202 38.000 0.058 0.000 1.079 1241 I HN 0.219 nan 8.210 nan 0.000 0.431 1242 A N 0.985 123.803 122.820 -0.003 0.000 2.019 1242 A HA -0.163 4.159 4.320 0.003 0.000 0.219 1242 A C 2.256 179.862 177.584 0.037 0.000 1.164 1242 A CA 1.326 53.393 52.037 0.051 0.000 0.644 1242 A CB -0.696 18.393 19.000 0.149 0.000 0.805 1242 A HN 0.409 nan 8.150 nan 0.000 0.449 1243 I N -0.475 120.038 120.570 -0.095 0.000 2.142 1243 I HA -0.287 3.885 4.170 0.003 0.000 0.240 1243 I C 2.546 178.609 176.117 -0.089 0.000 1.078 1243 I CA 1.985 63.192 61.300 -0.156 0.000 1.343 1243 I CB -0.279 37.338 38.000 -0.638 0.000 1.046 1243 I HN 0.388 nan 8.210 nan 0.000 0.405 1244 K N 1.340 121.710 120.400 -0.051 0.000 2.057 1244 K HA -0.208 4.114 4.320 0.003 0.000 0.207 1244 K C 1.939 178.529 176.600 -0.017 0.000 1.049 1244 K CA 1.596 57.897 56.287 0.024 0.000 0.931 1244 K CB -0.052 32.480 32.500 0.054 0.000 0.714 1244 K HN 0.315 nan 8.250 nan 0.000 0.440 1245 E N 0.451 120.643 120.200 -0.014 0.000 2.160 1245 E HA -0.170 4.182 4.350 0.003 0.000 0.195 1245 E C 1.513 178.101 176.600 -0.020 0.000 0.991 1245 E CA 1.160 57.553 56.400 -0.012 0.000 0.810 1245 E CB 0.106 29.805 29.700 -0.002 0.000 0.742 1245 E HN 0.291 nan 8.360 nan 0.000 0.466 1246 K N -0.505 119.883 120.400 -0.020 0.000 2.487 1246 K HA 0.049 4.371 4.320 0.003 0.000 0.192 1246 K C 0.948 177.523 176.600 -0.041 0.000 1.027 1246 K CA 0.557 56.824 56.287 -0.033 0.000 1.054 1246 K CB 0.656 33.134 32.500 -0.035 0.000 0.824 1246 K HN 0.242 nan 8.250 nan 0.000 0.510 1247 G N 2.244 111.017 108.800 -0.045 0.000 2.143 1247 G HA2 -0.261 3.700 3.960 0.003 0.000 0.248 1247 G HA3 -0.261 3.700 3.960 0.003 0.000 0.248 1247 G C 0.106 174.963 174.900 -0.071 0.000 0.991 1247 G CA -0.194 44.873 45.100 -0.056 0.000 0.689 1247 G HN 0.280 nan 8.290 nan 0.000 0.522 1248 I N 2.896 123.411 120.570 -0.091 0.000 2.452 1248 I HA 0.228 4.400 4.170 0.003 0.000 0.287 1248 I C -1.121 174.929 176.117 -0.112 0.000 1.079 1248 I CA -1.878 59.332 61.300 -0.150 0.000 1.387 1248 I CB 0.940 38.723 38.000 -0.362 0.000 1.404 1248 I HN -0.005 nan 8.210 nan 0.000 0.522 1249 P HA 0.207 nan 4.420 nan 0.000 0.275 1249 P C -1.463 175.885 177.300 0.081 0.000 1.228 1249 P CA 0.186 63.245 63.100 -0.068 0.000 0.786 1249 P CB 0.876 32.568 31.700 -0.013 0.000 0.927 1250 Y N -2.400 117.918 120.300 0.029 0.000 2.765 1250 Y HA 0.537 5.089 4.550 0.003 0.000 0.350 1250 Y C -1.712 174.262 175.900 0.123 0.000 1.196 1250 Y CA -1.175 57.005 58.100 0.132 0.000 1.119 1250 Y CB 0.654 39.226 38.460 0.187 0.000 1.368 1250 Y HN 0.311 nan 8.280 nan 0.000 0.463 1251 E N 1.403 121.836 120.200 0.390 0.000 2.224 1251 E HA 0.342 4.694 4.350 0.003 0.000 0.265 1251 E C -2.178 174.576 176.600 0.256 0.000 0.878 1251 E CA -0.966 55.543 56.400 0.182 0.000 0.759 1251 E CB 2.528 32.323 29.700 0.158 0.000 1.164 1251 E HN 0.597 nan 8.360 nan 0.000 0.414 1252 Y N 2.899 123.151 120.300 -0.080 0.000 2.342 1252 Y HA 0.416 4.968 4.550 0.003 0.000 0.334 1252 Y C -1.370 174.280 175.900 -0.417 0.000 1.067 1252 Y CA -0.377 57.693 58.100 -0.049 0.000 1.128 1252 Y CB 0.740 39.278 38.460 0.130 0.000 1.200 1252 Y HN 0.441 nan 8.280 nan 0.000 0.464 1253 Y N 2.322 122.449 120.300 -0.288 0.000 2.553 1253 Y HA 0.672 5.224 4.550 0.003 0.000 0.347 1253 Y C 0.362 176.073 175.900 -0.314 0.000 1.019 1253 Y CA -1.218 56.768 58.100 -0.190 0.000 1.032 1253 Y CB 1.706 40.110 38.460 -0.094 0.000 1.284 1253 Y HN 0.723 nan 8.280 nan 0.000 0.466 1254 G N 0.336 109.147 108.800 0.018 0.000 2.521 1254 G HA2 0.182 4.144 3.960 0.003 0.000 0.323 1254 G HA3 0.182 4.144 3.960 0.003 0.000 0.323 1254 G C 0.222 175.128 174.900 0.009 0.000 1.211 1254 G CA -0.791 44.292 45.100 -0.028 0.000 0.979 1254 G HN 0.683 nan 8.290 nan 0.000 0.490 1255 N N -0.426 118.271 118.700 -0.006 0.000 2.223 1255 N HA -0.097 4.644 4.740 0.003 0.000 0.185 1255 N C 2.159 177.673 175.510 0.006 0.000 1.016 1255 N CA 0.642 53.691 53.050 -0.002 0.000 0.863 1255 N CB 0.076 38.561 38.487 -0.002 0.000 0.983 1255 N HN 0.448 nan 8.380 nan 0.000 0.429 1256 R N 0.738 121.248 120.500 0.017 0.000 2.285 1256 R HA -0.051 4.291 4.340 0.003 0.000 0.213 1256 R C 0.482 176.803 176.300 0.035 0.000 1.068 1256 R CA 0.822 56.934 56.100 0.022 0.000 1.004 1256 R CB 0.117 30.431 30.300 0.023 0.000 0.873 1256 R HN 0.285 nan 8.270 nan 0.000 0.467 1257 E N -0.225 120.010 120.200 0.058 0.000 2.603 1257 E HA 0.103 4.455 4.350 0.003 0.000 0.211 1257 E C 0.935 177.563 176.600 0.046 0.000 0.995 1257 E CA -0.142 56.318 56.400 0.100 0.000 0.990 1257 E CB 0.316 30.137 29.700 0.202 0.000 1.036 1257 E HN 0.173 nan 8.360 nan 0.000 0.475 1258 I N 2.138 122.693 120.570 -0.025 0.000 2.423 1258 I HA -0.261 3.911 4.170 0.003 0.000 0.254 1258 I C 1.343 177.361 176.117 -0.165 0.000 1.151 1258 I CA 1.566 62.788 61.300 -0.130 0.000 1.421 1258 I CB 0.202 38.151 38.000 -0.085 0.000 1.079 1258 I HN 0.182 nan 8.210 nan 0.000 0.431 1259 D N 0.205 120.554 120.400 -0.085 0.000 2.348 1259 D HA -0.195 4.447 4.640 0.003 0.000 0.216 1259 D C 1.514 177.766 176.300 -0.079 0.000 0.970 1259 D CA 0.620 54.577 54.000 -0.071 0.000 0.889 1259 D CB -0.261 40.521 40.800 -0.030 0.000 0.912 1259 D HN 0.283 nan 8.370 nan 0.000 0.524 1260 K N -0.081 120.266 120.400 -0.088 0.000 2.400 1260 K HA 0.165 4.487 4.320 0.003 0.000 0.194 1260 K C 1.073 177.565 176.600 -0.181 0.000 1.033 1260 K CA -0.228 56.044 56.287 -0.026 0.000 1.021 1260 K CB 0.032 32.634 32.500 0.170 0.000 0.808 1260 K HN 0.309 nan 8.250 nan 0.000 0.505 1261 M N 1.500 120.779 119.600 -0.536 0.000 2.251 1261 M HA -0.069 4.413 4.480 0.003 0.000 0.343 1261 M C 0.256 176.430 176.300 -0.209 0.000 1.245 1261 M CA 0.563 55.463 55.300 -0.666 0.000 1.061 1261 M CB 0.007 32.252 32.600 -0.592 0.000 1.723 1261 M HN 0.026 nan 8.290 nan 0.000 0.449 1262 N N 4.117 122.777 118.700 -0.067 0.000 2.500 1262 N HA 0.245 4.987 4.740 0.003 0.000 0.236 1262 N C -0.012 175.505 175.510 0.012 0.000 1.022 1262 N CA -0.388 52.670 53.050 0.013 0.000 0.935 1262 N CB 0.548 39.084 38.487 0.081 0.000 1.147 1262 N HN 0.669 nan 8.380 nan 0.000 0.512 1263 L N 2.351 123.571 121.223 -0.006 0.000 2.653 1263 L HA 0.314 4.655 4.340 0.003 0.000 0.232 1263 L C 0.925 177.815 176.870 0.034 0.000 1.169 1263 L CA -0.326 54.519 54.840 0.008 0.000 0.951 1263 L CB -0.302 41.751 42.059 -0.010 0.000 1.181 1263 L HN 0.451 nan 8.230 nan 0.000 0.460 1264 A N 0.263 123.107 122.820 0.041 0.000 2.257 1264 A HA 0.594 4.916 4.320 0.003 0.000 0.289 1264 A C -2.278 175.346 177.584 0.066 0.000 1.095 1264 A CA -1.220 50.846 52.037 0.047 0.000 0.836 1264 A CB -0.010 19.014 19.000 0.039 0.000 1.111 1264 A HN -0.047 nan 8.150 nan 0.000 0.497 1265 P HA 0.121 nan 4.420 nan 0.000 0.271 1265 P C -0.416 176.922 177.300 0.063 0.000 1.233 1265 P CA 0.041 63.181 63.100 0.068 0.000 0.789 1265 P CB 0.197 31.929 31.700 0.052 0.000 0.951 1266 N N -1.182 117.552 118.700 0.058 0.000 2.735 1266 N HA -0.158 4.583 4.740 0.003 0.000 0.248 1266 N C -0.615 174.937 175.510 0.071 0.000 1.083 1266 N CA 0.957 54.032 53.050 0.041 0.000 0.703 1266 N CB -0.979 37.521 38.487 0.021 0.000 1.005 1266 N HN 0.500 nan 8.380 nan 0.000 0.550 1267 Q N -0.432 119.445 119.800 0.128 0.000 2.399 1267 Q HA 0.572 4.914 4.340 0.003 0.000 0.276 1267 Q C -2.102 174.053 176.000 0.258 0.000 1.098 1267 Q CA -1.411 54.483 55.803 0.152 0.000 0.827 1267 Q CB 1.995 30.814 28.738 0.135 0.000 1.386 1267 Q HN 0.081 nan 8.270 nan 0.000 0.443 1268 P HA 0.157 nan 4.420 nan 0.000 0.275 1268 P C -0.817 176.633 177.300 0.249 0.000 1.266 1268 P CA -0.321 62.961 63.100 0.302 0.000 0.793 1268 P CB 0.429 32.246 31.700 0.195 0.000 1.074 1269 A N 1.257 124.205 122.820 0.213 0.000 2.540 1269 A HA 0.075 4.397 4.320 0.003 0.000 0.239 1269 A C 0.446 178.147 177.584 0.196 0.000 1.061 1269 A CA 0.116 52.167 52.037 0.024 0.000 0.758 1269 A CB -0.527 18.560 19.000 0.145 0.000 0.991 1269 A HN 0.395 nan 8.150 nan 0.000 0.502 1270 Q N 1.682 121.555 119.800 0.121 0.000 2.303 1270 Q HA 0.426 4.768 4.340 0.003 0.000 0.257 1270 Q C -0.620 175.502 176.000 0.203 0.000 0.941 1270 Q CA -0.274 55.673 55.803 0.241 0.000 0.931 1270 Q CB 1.479 30.285 28.738 0.114 0.000 1.215 1270 Q HN 0.566 nan 8.270 nan 0.000 0.437 1271 I N 3.227 123.986 120.570 0.315 0.000 2.441 1271 I HA 0.349 4.521 4.170 0.003 0.000 0.295 1271 I C -0.185 175.941 176.117 0.015 0.000 0.994 1271 I CA -1.076 60.326 61.300 0.169 0.000 1.144 1271 I CB 1.263 39.426 38.000 0.271 0.000 1.314 1271 I HN 0.413 nan 8.210 nan 0.000 0.445 1272 L N 6.719 127.902 121.223 -0.067 0.000 2.296 1272 L HA 0.449 4.791 4.340 0.003 0.000 0.286 1272 L C 0.049 176.774 176.870 -0.241 0.000 1.023 1272 L CA -0.267 54.486 54.840 -0.144 0.000 0.812 1272 L CB 0.903 42.943 42.059 -0.033 0.000 1.223 1272 L HN 0.641 nan 8.230 nan 0.000 0.421 1276 I N 4.226 124.856 120.570 0.098 0.000 2.396 1276 I HA 0.077 4.249 4.170 0.003 0.000 0.289 1276 I C 1.441 177.609 176.117 0.085 0.000 1.056 1276 I CA 0.080 61.381 61.300 0.001 0.000 1.365 1276 I CB 1.059 39.062 38.000 0.006 0.000 1.407 1276 I HN 1.034 nan 8.210 nan 0.000 0.509 1277 N N 4.153 122.823 118.700 -0.049 0.000 2.037 1277 N HA -0.254 4.488 4.740 0.003 0.000 0.196 1277 N C 1.735 177.239 175.510 -0.010 0.000 1.034 1277 N CA 2.449 55.502 53.050 0.004 0.000 0.861 1277 N CB 0.363 38.730 38.487 -0.200 0.000 1.039 1277 N HN 0.732 nan 8.380 nan 0.000 0.427 1278 S N 0.007 115.713 115.700 0.010 0.000 2.399 1278 S HA -0.107 4.364 4.470 0.003 0.000 0.231 1278 S C 1.694 176.305 174.600 0.018 0.000 1.022 1278 S CA 1.036 59.267 58.200 0.052 0.000 0.983 1278 S CB -0.374 62.938 63.200 0.187 0.000 0.803 1278 S HN 0.424 nan 8.310 nan 0.000 0.480 1279 E N 0.560 120.773 120.200 0.023 0.000 2.107 1279 E HA -0.027 4.324 4.350 0.003 0.000 0.191 1279 E C 2.171 178.731 176.600 -0.066 0.000 0.982 1279 E CA 1.018 57.424 56.400 0.010 0.000 0.809 1279 E CB -0.232 29.480 29.700 0.020 0.000 0.756 1279 E HN 0.452 nan 8.360 nan 0.000 0.459 1280 M N 1.020 120.551 119.600 -0.116 0.000 2.132 1280 M HA -0.135 4.347 4.480 0.003 0.000 0.263 1280 M C 2.031 178.166 176.300 -0.276 0.000 1.065 1280 M CA 1.487 56.621 55.300 -0.277 0.000 1.122 1280 M CB -0.365 31.881 32.600 -0.589 0.000 1.365 1280 M HN 0.143 nan 8.290 nan 0.000 0.411 1281 L N 0.225 121.246 121.223 -0.337 0.000 2.079 1281 L HA -0.226 4.115 4.340 0.003 0.000 0.210 1281 L C 2.460 179.106 176.870 -0.372 0.000 1.081 1281 L CA 1.633 56.166 54.840 -0.511 0.000 0.752 1281 L CB -0.817 40.587 42.059 -1.091 0.000 0.896 1281 L HN 0.317 nan 8.230 nan 0.000 0.433 1282 E N 0.682 120.769 120.200 -0.188 0.000 2.047 1282 E HA -0.192 4.159 4.350 0.003 0.000 0.191 1282 E C 2.269 178.865 176.600 -0.007 0.000 0.987 1282 E CA 1.423 57.871 56.400 0.080 0.000 0.799 1282 E CB 0.005 29.799 29.700 0.155 0.000 0.752 1282 E HN 0.228 nan 8.360 nan 0.000 0.449 1283 R N -0.673 119.790 120.500 -0.061 0.000 2.081 1283 R HA -0.108 4.234 4.340 0.003 0.000 0.235 1283 R C 2.380 178.633 176.300 -0.078 0.000 1.131 1283 R CA 1.654 57.714 56.100 -0.068 0.000 0.960 1283 R CB -0.370 29.875 30.300 -0.092 0.000 0.856 1283 R HN 0.266 nan 8.270 nan 0.000 0.436 1284 M N 0.956 120.489 119.600 -0.113 0.000 2.175 1284 M HA -0.120 4.361 4.480 0.003 0.000 0.264 1284 M C 2.083 178.326 176.300 -0.094 0.000 1.063 1284 M CA 1.806 57.045 55.300 -0.102 0.000 1.119 1284 M CB -0.135 32.386 32.600 -0.132 0.000 1.377 1284 M HN 0.089 nan 8.290 nan 0.000 0.415 1285 S N -0.935 114.712 115.700 -0.090 0.000 2.469 1285 S HA -0.114 4.357 4.470 0.003 0.000 0.238 1285 S C 1.617 176.148 174.600 -0.114 0.000 0.998 1285 S CA 1.057 59.197 58.200 -0.100 0.000 0.957 1285 S CB -0.596 62.601 63.200 -0.006 0.000 0.764 1285 S HN 0.642 nan 8.310 nan 0.000 0.514 1286 K N 0.932 121.283 120.400 -0.081 0.000 2.399 1286 K HA 0.319 4.641 4.320 0.003 0.000 0.204 1286 K C -0.483 176.070 176.600 -0.078 0.000 1.023 1286 K CA -0.143 56.096 56.287 -0.081 0.000 1.127 1286 K CB 0.794 33.263 32.500 -0.051 0.000 0.856 1286 K HN 0.186 nan 8.250 nan 0.000 0.514 1287 S N -0.109 115.549 115.700 -0.071 0.000 2.489 1287 S HA 0.236 4.708 4.470 0.003 0.000 0.291 1287 S C 1.200 175.758 174.600 -0.070 0.000 1.151 1287 S CA -0.762 57.420 58.200 -0.031 0.000 1.082 1287 S CB 1.719 64.929 63.200 0.015 0.000 1.019 1287 S HN 0.393 nan 8.310 nan 0.000 0.492 1288 G N 1.835 110.598 108.800 -0.063 0.000 2.446 1288 G HA2 -0.046 3.916 3.960 0.003 0.000 0.217 1288 G HA3 -0.046 3.916 3.960 0.003 0.000 0.217 1288 G C -0.117 174.384 174.900 -0.665 0.000 1.168 1288 G CA 0.999 45.919 45.100 -0.299 0.000 0.771 1288 G HN 0.550 nan 8.290 nan 0.000 0.551 1289 F N -0.576 119.492 119.950 0.197 0.000 2.561 1289 F HA 0.619 5.147 4.527 0.003 0.000 0.313 1289 F C 0.398 176.297 175.800 0.165 0.000 1.126 1289 F CA -1.006 57.072 58.000 0.130 0.000 0.918 1289 F CB 2.118 41.212 39.000 0.157 0.000 1.199 1289 F HN 0.149 nan 8.300 nan 0.000 0.444 1290 G N 1.578 110.450 108.800 0.120 0.000 2.388 1290 G HA2 0.579 4.541 3.960 0.003 0.000 0.330 1290 G HA3 0.579 4.541 3.960 0.003 0.000 0.330 1290 G C -1.992 172.951 174.900 0.072 0.000 1.142 1290 G CA -0.497 44.700 45.100 0.162 0.000 0.908 1290 G HN 0.540 nan 8.290 nan 0.000 0.473 1291 Y N 0.546 120.936 120.300 0.149 0.000 2.376 1291 Y HA 0.515 5.067 4.550 0.003 0.000 0.340 1291 Y C 0.247 176.124 175.900 -0.038 0.000 0.965 1291 Y CA -0.862 57.343 58.100 0.175 0.000 1.078 1291 Y CB 2.716 41.369 38.460 0.321 0.000 1.193 1291 Y HN 0.302 nan 8.280 nan 0.000 0.452 1292 Q N 4.610 124.520 119.800 0.183 0.000 2.589 1292 Q HA 0.333 4.675 4.340 0.003 0.000 0.245 1292 Q C -1.285 174.780 176.000 0.108 0.000 0.931 1292 Q CA -0.162 55.574 55.803 -0.111 0.000 0.730 1292 Q CB 1.350 29.945 28.738 -0.237 0.000 1.315 1292 Q HN 0.957 nan 8.270 nan 0.000 0.469 1293 L N 1.512 122.826 121.223 0.153 0.000 2.984 1293 L HA 0.311 4.653 4.340 0.003 0.000 0.246 1293 L C 0.462 177.369 176.870 0.061 0.000 1.268 1293 L CA -0.275 54.707 54.840 0.237 0.000 1.054 1293 L CB 0.608 42.786 42.059 0.197 0.000 1.393 1293 L HN 0.269 nan 8.230 nan 0.000 0.532 1294 S N 2.042 117.782 115.700 0.066 0.000 2.552 1294 S HA 0.072 4.544 4.470 0.003 0.000 0.289 1294 S C 0.807 175.416 174.600 0.014 0.000 1.304 1294 S CA 0.096 58.358 58.200 0.103 0.000 1.063 1294 S CB 0.292 63.610 63.200 0.197 0.000 0.848 1294 S HN 0.449 nan 8.310 nan 0.000 0.499 1295 K N 2.692 123.031 120.400 -0.103 0.000 3.271 1295 K HA 0.296 4.617 4.320 0.003 0.000 0.192 1295 K C -0.722 175.845 176.600 -0.055 0.000 1.108 1295 K CA -0.410 55.717 56.287 -0.268 0.000 0.902 1295 K CB -0.164 31.790 32.500 -0.909 0.000 0.889 1295 K HN 0.382 nan 8.250 nan 0.000 0.520 1296 L N 1.585 122.774 121.223 -0.057 0.000 2.506 1296 L HA 0.020 4.362 4.340 0.003 0.000 0.281 1296 L C 0.990 177.860 176.870 -0.000 0.000 1.228 1296 L CA -0.086 54.648 54.840 -0.177 0.000 0.850 1296 L CB 0.140 41.947 42.059 -0.421 0.000 1.110 1296 L HN 0.518 nan 8.230 nan 0.000 0.496 1297 N N 1.967 120.721 118.700 0.088 0.000 2.441 1297 N HA -0.096 4.646 4.740 0.003 0.000 0.251 1297 N C 0.730 176.233 175.510 -0.012 0.000 1.242 1297 N CA 0.219 53.301 53.050 0.053 0.000 0.898 1297 N CB 0.971 39.473 38.487 0.025 0.000 1.100 1297 N HN 0.676 nan 8.380 nan 0.000 0.443 1298 Q N 2.760 122.539 119.800 -0.034 0.000 2.173 1298 Q HA -0.259 4.083 4.340 0.003 0.000 0.208 1298 Q C 1.627 177.558 176.000 -0.115 0.000 0.989 1298 Q CA 2.125 57.898 55.803 -0.050 0.000 0.872 1298 Q CB -0.000 28.715 28.738 -0.038 0.000 0.909 1298 Q HN 0.741 nan 8.270 nan 0.000 0.420 1299 K N -1.064 119.191 120.400 -0.241 0.000 2.211 1299 K HA -0.195 4.127 4.320 0.003 0.000 0.204 1299 K C 1.042 177.445 176.600 -0.329 0.000 1.047 1299 K CA 1.690 57.773 56.287 -0.339 0.000 0.935 1299 K CB -0.363 31.823 32.500 -0.523 0.000 0.728 1299 K HN 0.316 nan 8.250 nan 0.000 0.452 1300 Y N 1.306 121.564 120.300 -0.071 0.000 2.511 1300 Y HA 0.288 4.840 4.550 0.003 0.000 0.279 1300 Y C 0.580 176.426 175.900 -0.091 0.000 1.157 1300 Y CA -0.205 57.847 58.100 -0.080 0.000 1.300 1300 Y CB 0.221 38.535 38.460 -0.245 0.000 1.052 1300 Y HN -0.103 nan 8.280 nan 0.000 0.529 1301 L N 0.380 121.617 121.223 0.023 0.000 2.296 1301 L HA 0.365 4.707 4.340 0.003 0.000 0.286 1301 L C 0.545 177.426 176.870 0.019 0.000 1.023 1301 L CA -0.063 54.780 54.840 0.005 0.000 0.812 1301 L CB 1.981 44.034 42.059 -0.009 0.000 1.223 1301 L HN 0.064 nan 8.230 nan 0.000 0.421 1302 Q N 1.778 121.598 119.800 0.034 0.000 2.274 1302 Q HA 0.296 4.637 4.340 0.003 0.000 0.172 1302 Q C 1.073 177.107 176.000 0.056 0.000 0.613 1302 Q CA -0.085 55.742 55.803 0.042 0.000 0.789 1302 Q CB 0.749 29.518 28.738 0.052 0.000 1.125 1302 Q HN 0.555 nan 8.270 nan 0.000 0.501 1303 R N -0.676 119.858 120.500 0.056 0.000 2.517 1303 R HA 0.377 4.719 4.340 0.003 0.000 0.265 1303 R C -0.416 175.947 176.300 0.105 0.000 0.921 1303 R CA 0.006 56.171 56.100 0.109 0.000 1.054 1303 R CB 1.522 31.845 30.300 0.038 0.000 1.340 1303 R HN -0.001 nan 8.270 nan 0.000 0.551 1304 S N 2.042 117.749 115.700 0.012 0.000 2.455 1304 S HA 0.263 4.735 4.470 0.003 0.000 0.278 1304 S C 0.081 174.660 174.600 -0.035 0.000 1.216 1304 S CA -0.153 58.020 58.200 -0.045 0.000 1.055 1304 S CB 0.728 63.870 63.200 -0.097 0.000 0.939 1304 S HN 0.139 nan 8.310 nan 0.000 0.494 1305 L N 2.796 124.021 121.223 0.004 0.000 2.431 1305 L HA 0.427 4.769 4.340 0.003 0.000 0.260 1305 L C 0.784 177.672 176.870 0.029 0.000 1.098 1305 L CA -0.657 54.160 54.840 -0.037 0.000 0.800 1305 L CB 0.755 42.767 42.059 -0.077 0.000 1.210 1305 L HN 0.571 nan 8.230 nan 0.000 0.465 1306 E N -0.694 119.685 120.200 0.300 0.000 2.254 1306 E HA 0.126 4.478 4.350 0.003 0.000 0.261 1306 E C 0.019 176.603 176.600 -0.026 0.000 1.051 1306 E CA -0.458 55.965 56.400 0.038 0.000 0.902 1306 E CB 0.938 30.652 29.700 0.023 0.000 1.168 1306 E HN 0.366 nan 8.360 nan 0.000 0.423 1307 Y N 0.545 120.904 120.300 0.097 0.000 2.207 1307 Y HA -0.257 4.295 4.550 0.003 0.000 0.287 1307 Y C 2.794 178.736 175.900 0.070 0.000 1.156 1307 Y CA 1.780 59.943 58.100 0.104 0.000 1.182 1307 Y CB -0.249 38.276 38.460 0.110 0.000 0.979 1307 Y HN 0.628 nan 8.280 nan 0.000 0.521 1308 T N -3.167 111.453 114.554 0.110 0.000 2.881 1308 T HA -0.222 4.130 4.350 0.003 0.000 0.270 1308 T C 1.313 176.005 174.700 -0.014 0.000 1.068 1308 T CA 1.867 63.962 62.100 -0.008 0.000 1.131 1308 T CB -0.696 68.064 68.868 -0.180 0.000 0.871 1308 T HN 0.476 nan 8.240 nan 0.000 0.479 1309 H N 1.217 120.255 119.070 -0.054 0.000 2.293 1309 H HA 0.151 4.709 4.556 0.003 0.000 0.300 1309 H C 2.272 177.720 175.328 0.200 0.000 1.082 1309 H CA 1.620 57.593 56.048 -0.126 0.000 1.308 1309 H CB -0.275 29.245 29.762 -0.403 0.000 1.375 1309 H HN 0.201 nan 8.280 nan 0.000 0.495 1310 L N 0.424 121.829 121.223 0.303 0.000 2.083 1310 L HA -0.177 4.165 4.340 0.003 0.000 0.209 1310 L C 2.141 179.182 176.870 0.286 0.000 1.083 1310 L CA 1.336 56.353 54.840 0.295 0.000 0.752 1310 L CB -0.426 41.783 42.059 0.250 0.000 0.899 1310 L HN 0.400 nan 8.230 nan 0.000 0.433 1311 E N 0.333 120.680 120.200 0.246 0.000 2.110 1311 E HA -0.188 4.164 4.350 0.003 0.000 0.193 1311 E C 2.370 179.062 176.600 0.154 0.000 0.988 1311 E CA 0.923 57.435 56.400 0.186 0.000 0.804 1311 E CB -0.081 29.695 29.700 0.127 0.000 0.745 1311 E HN 0.463 nan 8.360 nan 0.000 0.458 1312 L N 0.016 121.343 121.223 0.174 0.000 2.017 1312 L HA -0.119 4.223 4.340 0.003 0.000 0.208 1312 L C 2.598 179.544 176.870 0.125 0.000 1.073 1312 L CA 1.385 56.301 54.840 0.127 0.000 0.745 1312 L CB -0.809 41.359 42.059 0.181 0.000 0.894 1312 L HN 0.256 nan 8.230 nan 0.000 0.432 1313 G N -0.584 108.345 108.800 0.215 0.000 2.408 1313 G HA2 -0.159 3.803 3.960 0.003 0.000 0.217 1313 G HA3 -0.159 3.803 3.960 0.003 0.000 0.217 1313 G C 1.766 176.929 174.900 0.439 0.000 1.150 1313 G CA 0.719 45.972 45.100 0.256 0.000 0.776 1313 G HN 0.453 nan 8.290 nan 0.000 0.542 1314 A N 0.451 123.525 122.820 0.423 0.000 1.969 1314 A HA -0.085 4.236 4.320 0.003 0.000 0.218 1314 A C 2.524 180.421 177.584 0.522 0.000 1.169 1314 A CA 1.890 54.259 52.037 0.555 0.000 0.635 1314 A CB -0.931 18.319 19.000 0.415 0.000 0.810 1314 A HN 0.929 nan 8.150 nan 0.000 0.445 1315 C N -2.803 116.664 119.300 0.280 0.000 2.626 1315 C HA 0.540 5.002 4.460 0.003 0.000 0.266 1315 C C 1.736 176.644 174.990 -0.137 0.000 1.317 1315 C CA 0.196 59.313 59.018 0.166 0.000 1.716 1315 C CB -0.791 26.963 27.740 0.023 0.000 1.819 1315 C HN 1.656 nan 8.230 nan 0.000 0.578 1316 G N 0.567 109.141 108.800 -0.377 0.000 2.134 1316 G HA2 -0.127 3.835 3.960 0.003 0.000 0.209 1316 G HA3 -0.127 3.835 3.960 0.003 0.000 0.209 1316 G C 0.049 174.558 174.900 -0.652 0.000 0.993 1316 G CA 0.455 44.811 45.100 -1.239 0.000 0.669 1316 G HN 0.852 nan 8.290 nan 0.000 0.519 1317 T N -0.126 114.228 114.554 -0.334 0.000 2.923 1317 T HA 0.669 5.021 4.350 0.003 0.000 0.281 1317 T C 0.560 175.076 174.700 -0.306 0.000 0.995 1317 T CA -0.774 61.180 62.100 -0.243 0.000 0.985 1317 T CB 0.563 69.343 68.868 -0.147 0.000 1.114 1317 T HN 0.194 nan 8.240 nan 0.000 0.548 1318 I N 3.700 124.039 120.570 -0.386 0.000 2.352 1318 I HA 0.311 4.483 4.170 0.003 0.000 0.290 1318 I C -2.182 173.771 176.117 -0.272 0.000 1.036 1318 I CA -2.735 58.322 61.300 -0.403 0.000 1.336 1318 I CB 0.834 38.566 38.000 -0.446 0.000 1.407 1318 I HN 0.454 nan 8.210 nan 0.000 0.497 1319 P HA 0.175 nan 4.420 nan 0.000 0.281 1319 P C -0.633 176.278 177.300 -0.648 0.000 1.252 1319 P CA -0.174 62.615 63.100 -0.519 0.000 0.778 1319 P CB 0.896 32.084 31.700 -0.853 0.000 0.895 1320 V N 5.569 125.214 119.914 -0.448 0.000 2.326 1320 V HA 0.386 4.508 4.120 0.003 0.000 0.281 1320 V C -0.378 175.754 176.094 0.063 0.000 1.015 1320 V CA -0.294 61.794 62.300 -0.355 0.000 0.823 1320 V CB 0.016 31.489 31.823 -0.583 0.000 1.009 1320 V HN 0.357 nan 8.190 nan 0.000 0.436 1321 F N 1.669 121.549 119.950 -0.118 0.000 2.541 1321 F HA 0.451 4.980 4.527 0.003 0.000 0.331 1321 F C 0.236 176.283 175.800 0.412 0.000 1.057 1321 F CA -2.249 55.834 58.000 0.139 0.000 0.975 1321 F CB 1.235 40.254 39.000 0.031 0.000 1.246 1321 F HN 0.494 nan 8.300 nan 0.000 0.484 1322 W N 4.301 125.906 121.300 0.508 0.000 2.381 1322 W HA 0.066 4.728 4.660 0.004 0.000 0.321 1322 W C 1.231 178.060 176.519 0.517 0.000 1.407 1322 W CA -0.205 57.395 57.345 0.424 0.000 1.274 1322 W CB 0.896 30.525 29.460 0.280 0.000 1.310 1322 W HN 0.724 nan 8.180 nan 0.000 0.551 1323 K N 2.691 123.115 120.400 0.040 0.000 2.034 1323 K HA -0.288 4.034 4.320 0.003 0.000 0.214 1323 K C 2.227 178.747 176.600 -0.133 0.000 1.051 1323 K CA 2.738 59.019 56.287 -0.010 0.000 0.931 1323 K CB -0.370 32.017 32.500 -0.188 0.000 0.715 1323 K HN 0.557 nan 8.250 nan 0.000 0.446 1324 S N -0.503 115.082 115.700 -0.192 0.000 2.419 1324 S HA -0.136 4.335 4.470 0.003 0.000 0.235 1324 S C 1.894 176.579 174.600 0.142 0.000 1.019 1324 S CA 1.827 60.041 58.200 0.025 0.000 0.982 1324 S CB -0.639 62.677 63.200 0.193 0.000 0.789 1324 S HN 0.365 nan 8.310 nan 0.000 0.490 1325 T N 1.610 116.365 114.554 0.335 0.000 2.777 1325 T HA 0.087 4.439 4.350 0.003 0.000 0.266 1325 T C 1.988 176.739 174.700 0.084 0.000 1.040 1325 T CA 1.316 63.571 62.100 0.259 0.000 1.141 1325 T CB -1.023 68.074 68.868 0.381 0.000 0.868 1325 T HN 0.649 nan 8.240 nan 0.000 0.444 1326 G N 1.097 109.888 108.800 -0.015 0.000 2.422 1326 G HA2 -0.151 3.811 3.960 0.003 0.000 0.218 1326 G HA3 -0.151 3.811 3.960 0.003 0.000 0.218 1326 G C 1.437 176.087 174.900 -0.417 0.000 1.140 1326 G CA 0.482 45.308 45.100 -0.457 0.000 0.775 1326 G HN 0.499 nan 8.290 nan 0.000 0.545 1327 E N 0.274 120.274 120.200 -0.333 0.000 2.152 1327 E HA -0.054 4.298 4.350 0.003 0.000 0.192 1327 E C 2.021 178.554 176.600 -0.112 0.000 0.983 1327 E CA 0.687 56.949 56.400 -0.230 0.000 0.818 1327 E CB -0.093 29.495 29.700 -0.187 0.000 0.758 1327 E HN 0.549 nan 8.360 nan 0.000 0.467 1328 N N -0.137 118.527 118.700 -0.061 0.000 2.422 1328 N HA 0.074 4.816 4.740 0.003 0.000 0.181 1328 N C -0.083 175.421 175.510 -0.010 0.000 1.080 1328 N CA -0.124 52.914 53.050 -0.021 0.000 0.893 1328 N CB 0.475 38.967 38.487 0.010 0.000 0.973 1328 N HN -0.020 nan 8.380 nan 0.000 0.456 1329 L N 1.082 122.295 121.223 -0.016 0.000 2.334 1329 L HA 0.385 4.726 4.340 0.003 0.000 0.275 1329 L C -0.143 176.749 176.870 0.036 0.000 1.036 1329 L CA -0.660 54.188 54.840 0.013 0.000 0.807 1329 L CB 1.599 43.659 42.059 0.002 0.000 1.231 1329 L HN -0.103 nan 8.230 nan 0.000 0.438 1330 K N 2.097 122.551 120.400 0.091 0.000 2.221 1330 K HA 0.347 4.669 4.320 0.003 0.000 0.258 1330 K C -0.790 175.963 176.600 0.254 0.000 0.944 1330 K CA -0.820 55.553 56.287 0.143 0.000 0.823 1330 K CB 1.871 34.437 32.500 0.110 0.000 1.113 1330 K HN 0.192 nan 8.250 nan 0.000 0.431 1331 F N 3.622 123.610 119.950 0.063 0.000 2.578 1331 F HA -0.003 4.526 4.527 0.003 0.000 0.376 1331 F C 1.673 177.531 175.800 0.098 0.000 1.085 1331 F CA -0.247 57.781 58.000 0.046 0.000 1.260 1331 F CB 0.454 39.444 39.000 -0.017 0.000 1.095 1331 F HN 0.576 nan 8.300 nan 0.000 0.573 1332 R N 3.485 124.015 120.500 0.049 0.000 2.105 1332 R HA -0.110 4.232 4.340 0.003 0.000 0.239 1332 R C 1.582 177.561 176.300 -0.535 0.000 1.135 1332 R CA 1.926 57.827 56.100 -0.333 0.000 0.967 1332 R CB -0.213 29.780 30.300 -0.511 0.000 0.861 1332 R HN 0.633 nan 8.270 nan 0.000 0.442 1333 V N 1.453 120.727 119.914 -1.068 0.000 2.270 1333 V HA -0.204 3.917 4.120 0.003 0.000 0.245 1333 V C 1.328 177.190 176.094 -0.386 0.000 1.043 1333 V CA 2.287 64.087 62.300 -0.833 0.000 1.014 1333 V CB -0.368 30.778 31.823 -1.129 0.000 0.645 1333 V HN 0.622 nan 8.190 nan 0.000 0.447 1334 D N -2.884 117.388 120.400 -0.214 0.000 2.503 1334 D HA 0.103 4.745 4.640 0.003 0.000 0.218 1334 D C 0.710 177.057 176.300 0.080 0.000 1.183 1334 D CA 0.030 54.040 54.000 0.016 0.000 0.827 1334 D CB -0.583 40.307 40.800 0.149 0.000 1.034 1334 D HN 0.310 nan 8.370 nan 0.000 0.510 1335 N N -0.050 118.699 118.700 0.082 0.000 2.782 1335 N HA -0.174 4.567 4.740 0.003 0.000 0.251 1335 N C -0.843 174.754 175.510 0.145 0.000 1.101 1335 N CA 1.366 54.477 53.050 0.102 0.000 0.764 1335 N CB -1.611 36.904 38.487 0.047 0.000 1.122 1335 N HN 0.599 nan 8.380 nan 0.000 0.561 1336 T N -3.108 111.594 114.554 0.247 0.000 2.943 1336 T HA 0.690 5.041 4.350 0.003 0.000 0.284 1336 T C -2.647 172.190 174.700 0.228 0.000 1.015 1336 T CA -1.876 60.349 62.100 0.208 0.000 1.042 1336 T CB 2.053 71.047 68.868 0.209 0.000 1.055 1336 T HN -0.126 nan 8.240 nan 0.000 0.500 1337 P HA 0.103 nan 4.420 nan 0.000 0.265 1337 P C 1.043 178.398 177.300 0.091 0.000 1.187 1337 P CA -0.173 62.948 63.100 0.035 0.000 0.766 1337 P CB 0.326 31.986 31.700 -0.066 0.000 0.820 1338 L N 1.868 123.108 121.223 0.027 0.000 2.127 1338 L HA -0.175 4.167 4.340 0.003 0.000 0.211 1338 L C 2.128 178.962 176.870 -0.059 0.000 1.089 1338 L CA 2.147 57.051 54.840 0.107 0.000 0.757 1338 L CB -1.415 40.732 42.059 0.147 0.000 0.899 1338 L HN 0.478 nan 8.230 nan 0.000 0.434 1339 T N -3.578 110.705 114.554 -0.452 0.000 3.051 1339 T HA -0.091 4.260 4.350 0.003 0.000 0.269 1339 T C 1.755 176.284 174.700 -0.284 0.000 1.127 1339 T CA 0.898 62.594 62.100 -0.675 0.000 1.107 1339 T CB -0.378 67.948 68.868 -0.903 0.000 0.898 1339 T HN 0.435 nan 8.240 nan 0.000 0.517 1340 S N -0.047 115.551 115.700 -0.170 0.000 2.650 1340 S HA 0.112 4.584 4.470 0.003 0.000 0.219 1340 S C 0.037 174.421 174.600 -0.360 0.000 0.960 1340 S CA -0.595 57.467 58.200 -0.230 0.000 0.925 1340 S CB -0.576 62.480 63.200 -0.240 0.000 0.775 1340 S HN 0.697 nan 8.310 nan 0.000 0.525 1341 H N 0.598 119.553 119.070 -0.193 0.000 2.670 1341 H HA 0.554 5.112 4.556 0.003 0.000 0.361 1341 H C -0.923 174.261 175.328 -0.240 0.000 1.169 1341 H CA -0.863 55.041 56.048 -0.241 0.000 1.198 1341 H CB 0.935 30.427 29.762 -0.451 0.000 1.700 1341 H HN 0.072 nan 8.280 nan 0.000 0.542 1342 D N 0.705 121.066 120.400 -0.065 0.000 2.558 1342 D HA 0.036 4.677 4.640 0.003 0.000 0.221 1342 D C 0.427 176.639 176.300 -0.147 0.000 1.143 1342 D CA -0.131 53.821 54.000 -0.080 0.000 1.010 1342 D CB 0.008 40.785 40.800 -0.038 0.000 1.068 1342 D HN 0.541 nan 8.370 nan 0.000 0.511 1343 S N 1.153 116.681 115.700 -0.287 0.000 2.517 1343 S HA 0.275 4.747 4.470 0.003 0.000 0.214 1343 S C 1.786 176.231 174.600 -0.257 0.000 0.991 1343 S CA 0.319 58.258 58.200 -0.435 0.000 0.906 1343 S CB 0.290 62.867 63.200 -1.039 0.000 0.789 1343 S HN 0.568 nan 8.310 nan 0.000 0.513 1344 G N 1.237 109.905 108.800 -0.220 0.000 2.225 1344 G HA2 -0.236 3.725 3.960 0.003 0.000 0.254 1344 G HA3 -0.236 3.725 3.960 0.003 0.000 0.254 1344 G C 0.052 174.754 174.900 -0.330 0.000 0.988 1344 G CA 0.110 45.084 45.100 -0.209 0.000 0.625 1344 G HN 0.572 nan 8.290 nan 0.000 0.527 1345 I N 1.734 122.016 120.570 -0.481 0.000 2.588 1345 I HA 0.300 4.472 4.170 0.003 0.000 0.283 1345 I C 0.875 176.492 176.117 -0.834 0.000 1.119 1345 I CA -0.270 60.541 61.300 -0.815 0.000 1.419 1345 I CB 0.884 38.141 38.000 -1.238 0.000 1.394 1345 I HN 0.022 nan 8.210 nan 0.000 0.562 1346 I N 5.717 125.855 120.570 -0.721 0.000 2.312 1346 I HA 0.094 4.266 4.170 0.003 0.000 0.291 1346 I C -0.819 174.999 176.117 -0.497 0.000 1.031 1346 I CA -0.276 60.746 61.300 -0.463 0.000 1.293 1346 I CB 0.486 38.326 38.000 -0.268 0.000 1.403 1346 I HN 0.496 nan 8.210 nan 0.000 0.484 1347 W N 6.989 128.233 121.300 -0.094 0.000 2.360 1347 W HA 0.247 4.909 4.660 0.003 0.000 0.344 1347 W C 0.174 176.661 176.519 -0.052 0.000 1.025 1347 W CA -0.709 56.614 57.345 -0.037 0.000 1.480 1347 W CB 0.157 29.576 29.460 -0.069 0.000 1.350 1347 W HN 0.296 nan 8.180 nan 0.000 0.382 1348 F N 4.759 124.726 119.950 0.027 0.000 2.593 1348 F HA -0.081 4.448 4.527 0.003 0.000 0.393 1348 F C 0.533 176.190 175.800 -0.238 0.000 1.037 1348 F CA 0.687 58.625 58.000 -0.104 0.000 1.195 1348 F CB 0.218 39.225 39.000 0.012 0.000 1.034 1348 F HN 0.146 nan 8.300 nan 0.000 0.552 1349 D N 5.861 125.976 120.400 -0.476 0.000 2.441 1349 D HA 0.071 4.713 4.640 0.003 0.000 0.231 1349 D C 0.891 176.943 176.300 -0.413 0.000 1.073 1349 D CA -0.301 53.469 54.000 -0.383 0.000 0.850 1349 D CB 0.890 41.533 40.800 -0.261 0.000 1.062 1349 D HN 0.779 nan 8.370 nan 0.000 0.524 1350 E N 2.364 122.411 120.200 -0.254 0.000 2.265 1350 E HA -0.179 4.172 4.350 0.003 0.000 0.196 1350 E C 0.329 176.938 176.600 0.015 0.000 0.996 1350 E CA 1.024 57.444 56.400 0.033 0.000 0.832 1350 E CB -0.142 29.726 29.700 0.279 0.000 0.756 1350 E HN 0.404 nan 8.360 nan 0.000 0.491 1351 N N 0.041 118.709 118.700 -0.053 0.000 2.398 1351 N HA -0.022 4.720 4.740 0.003 0.000 0.188 1351 N C -0.304 175.186 175.510 -0.034 0.000 1.122 1351 N CA 0.372 53.412 53.050 -0.016 0.000 0.866 1351 N CB 0.458 38.932 38.487 -0.022 0.000 0.970 1351 N HN 0.044 nan 8.380 nan 0.000 0.462 1352 D N 0.005 120.347 120.400 -0.097 0.000 3.285 1352 D HA 0.156 4.798 4.640 0.003 0.000 0.273 1352 D C 0.540 176.714 176.300 -0.210 0.000 1.295 1352 D CA -0.120 53.820 54.000 -0.099 0.000 0.762 1352 D CB -0.049 40.696 40.800 -0.091 0.000 1.379 1352 D HN -0.040 nan 8.370 nan 0.000 0.612 1353 M N -0.311 119.147 119.600 -0.237 0.000 2.358 1353 M HA -0.067 4.415 4.480 0.003 0.000 0.264 1353 M C 1.847 177.771 176.300 -0.626 0.000 1.064 1353 M CA 1.053 56.074 55.300 -0.466 0.000 1.093 1353 M CB 0.172 32.624 32.600 -0.247 0.000 1.401 1353 M HN 0.286 nan 8.290 nan 0.000 0.440 1354 E N -0.004 119.952 120.200 -0.408 0.000 2.051 1354 E HA -0.213 4.139 4.350 0.003 0.000 0.192 1354 E C 2.055 178.578 176.600 -0.129 0.000 0.991 1354 E CA 1.616 57.875 56.400 -0.235 0.000 0.799 1354 E CB 0.038 29.823 29.700 0.142 0.000 0.748 1354 E HN 0.342 nan 8.360 nan 0.000 0.449 1355 S N -0.799 114.829 115.700 -0.120 0.000 2.382 1355 S HA -0.138 4.334 4.470 0.003 0.000 0.228 1355 S C 1.956 176.480 174.600 -0.125 0.000 1.027 1355 S CA 1.797 59.939 58.200 -0.097 0.000 0.991 1355 S CB -0.422 62.723 63.200 -0.091 0.000 0.823 1355 S HN 0.370 nan 8.310 nan 0.000 0.469 1356 T N 1.315 115.751 114.554 -0.197 0.000 2.708 1356 T HA -0.056 4.296 4.350 0.003 0.000 0.266 1356 T C 1.336 176.018 174.700 -0.030 0.000 1.037 1356 T CA 1.460 63.439 62.100 -0.201 0.000 1.146 1356 T CB -0.524 68.057 68.868 -0.478 0.000 0.865 1356 T HN 0.508 nan 8.240 nan 0.000 0.435 1357 F N 2.242 122.115 119.950 -0.129 0.000 2.234 1357 F HA -0.009 4.520 4.527 0.003 0.000 0.299 1357 F C 2.227 177.991 175.800 -0.060 0.000 1.087 1357 F CA 0.805 58.795 58.000 -0.017 0.000 1.340 1357 F CB -0.288 38.635 39.000 -0.128 0.000 1.031 1357 F HN 0.026 nan 8.300 nan 0.000 0.500 1358 E N 0.125 120.231 120.200 -0.158 0.000 2.110 1358 E HA -0.233 4.118 4.350 0.003 0.000 0.193 1358 E C 2.285 178.759 176.600 -0.210 0.000 0.988 1358 E CA 0.941 57.215 56.400 -0.210 0.000 0.804 1358 E CB -0.396 29.250 29.700 -0.090 0.000 0.745 1358 E HN 0.248 nan 8.360 nan 0.000 0.458 1359 R N 1.115 121.520 120.500 -0.159 0.000 2.092 1359 R HA 0.007 4.348 4.340 0.003 0.000 0.231 1359 R C 2.278 178.486 176.300 -0.153 0.000 1.119 1359 R CA 0.862 56.887 56.100 -0.125 0.000 0.970 1359 R CB -0.649 29.590 30.300 -0.101 0.000 0.864 1359 R HN 0.156 nan 8.270 nan 0.000 0.440 1360 I N 0.510 120.924 120.570 -0.258 0.000 2.226 1360 I HA -0.291 3.881 4.170 0.003 0.000 0.245 1360 I C 2.040 177.940 176.117 -0.362 0.000 1.100 1360 I CA 1.538 62.559 61.300 -0.464 0.000 1.374 1360 I CB -0.237 37.429 38.000 -0.557 0.000 1.057 1360 I HN 0.179 nan 8.210 nan 0.000 0.413 1361 K N 0.369 120.488 120.400 -0.470 0.000 2.147 1361 K HA -0.234 4.087 4.320 0.003 0.000 0.205 1361 K C 2.021 178.547 176.600 -0.125 0.000 1.049 1361 K CA 1.380 57.458 56.287 -0.348 0.000 0.936 1361 K CB -0.160 32.039 32.500 -0.501 0.000 0.722 1361 K HN 0.366 nan 8.250 nan 0.000 0.446 1362 E N 0.924 121.062 120.200 -0.105 0.000 2.051 1362 E HA -0.201 4.151 4.350 0.003 0.000 0.192 1362 E C 1.808 178.442 176.600 0.056 0.000 0.991 1362 E CA 0.959 57.343 56.400 -0.026 0.000 0.799 1362 E CB 0.091 29.770 29.700 -0.035 0.000 0.748 1362 E HN 0.053 nan 8.360 nan 0.000 0.449 1363 L N 0.757 122.056 121.223 0.126 0.000 2.141 1363 L HA -0.085 4.257 4.340 0.003 0.000 0.209 1363 L C 2.467 179.551 176.870 0.356 0.000 1.094 1363 L CA 1.287 56.285 54.840 0.263 0.000 0.763 1363 L CB -0.400 41.872 42.059 0.355 0.000 0.908 1363 L HN 0.051 nan 8.230 nan 0.000 0.437 1364 S N -0.905 115.010 115.700 0.359 0.000 2.419 1364 S HA -0.135 4.337 4.470 0.003 0.000 0.233 1364 S C 1.958 176.628 174.600 0.117 0.000 1.016 1364 S CA 1.289 59.660 58.200 0.285 0.000 0.974 1364 S CB -0.300 63.056 63.200 0.262 0.000 0.786 1364 S HN 0.648 nan 8.310 nan 0.000 0.492 1365 S N 0.081 115.831 115.700 0.084 0.000 2.575 1365 S HA 0.133 4.605 4.470 0.003 0.000 0.215 1365 S C 0.005 174.629 174.600 0.040 0.000 0.966 1365 S CA -0.164 58.062 58.200 0.043 0.000 0.911 1365 S CB 0.129 63.342 63.200 0.022 0.000 0.780 1365 S HN 0.270 nan 8.310 nan 0.000 0.514 1366 D N 0.829 121.267 120.400 0.063 0.000 2.358 1366 D HA 0.330 4.972 4.640 0.003 0.000 0.253 1366 D C 0.859 177.209 176.300 0.083 0.000 1.288 1366 D CA -0.510 53.525 54.000 0.058 0.000 0.950 1366 D CB 0.922 41.756 40.800 0.056 0.000 1.197 1366 D HN -0.138 nan 8.370 nan 0.000 0.550 1367 R N 2.073 122.598 120.500 0.042 0.000 2.105 1367 R HA -0.120 4.222 4.340 0.003 0.000 0.239 1367 R C 1.658 178.018 176.300 0.100 0.000 1.135 1367 R CA 1.326 57.448 56.100 0.037 0.000 0.967 1367 R CB -0.537 29.752 30.300 -0.018 0.000 0.861 1367 R HN 0.461 nan 8.270 nan 0.000 0.442 1368 A N 1.309 124.174 122.820 0.075 0.000 1.898 1368 A HA -0.133 4.189 4.320 0.003 0.000 0.216 1368 A C 2.214 179.851 177.584 0.088 0.000 1.181 1368 A CA 1.023 53.105 52.037 0.074 0.000 0.620 1368 A CB -0.468 18.561 19.000 0.049 0.000 0.819 1368 A HN 0.220 nan 8.150 nan 0.000 0.442 1369 L N -1.551 119.724 121.223 0.087 0.000 2.017 1369 L HA -0.136 4.205 4.340 0.003 0.000 0.208 1369 L C 2.278 179.200 176.870 0.087 0.000 1.073 1369 L CA 2.402 57.285 54.840 0.072 0.000 0.745 1369 L CB -1.043 41.054 42.059 0.064 0.000 0.894 1369 L HN 0.514 nan 8.230 nan 0.000 0.432 1370 Y N 0.299 120.601 120.300 0.003 0.000 2.081 1370 Y HA -0.342 4.210 4.550 0.003 0.000 0.280 1370 Y C 2.413 178.303 175.900 -0.016 0.000 1.163 1370 Y CA 2.302 60.389 58.100 -0.021 0.000 1.135 1370 Y CB -0.321 38.109 38.460 -0.051 0.000 0.970 1370 Y HN 0.325 nan 8.280 nan 0.000 0.498 1371 D N -0.387 120.153 120.400 0.233 0.000 2.097 1371 D HA -0.160 4.482 4.640 0.003 0.000 0.195 1371 D C 2.294 178.655 176.300 0.101 0.000 0.989 1371 D CA 1.360 55.469 54.000 0.183 0.000 0.827 1371 D CB -0.170 40.737 40.800 0.178 0.000 0.966 1371 D HN 0.380 nan 8.370 nan 0.000 0.456 1372 R N 0.434 120.974 120.500 0.068 0.000 2.081 1372 R HA -0.107 4.235 4.340 0.003 0.000 0.235 1372 R C 2.108 178.417 176.300 0.015 0.000 1.131 1372 R CA 0.904 57.032 56.100 0.046 0.000 0.960 1372 R CB -0.102 30.218 30.300 0.034 0.000 0.856 1372 R HN 0.214 nan 8.270 nan 0.000 0.436 1373 E N 0.724 120.898 120.200 -0.043 0.000 2.077 1373 E HA -0.200 4.152 4.350 0.003 0.000 0.193 1373 E C 2.007 178.543 176.600 -0.107 0.000 0.989 1373 E CA 1.436 57.776 56.400 -0.100 0.000 0.800 1373 E CB -0.173 29.428 29.700 -0.165 0.000 0.746 1373 E HN 0.481 nan 8.360 nan 0.000 0.452 1374 R N 0.873 121.286 120.500 -0.144 0.000 2.148 1374 R HA 0.017 4.359 4.340 0.003 0.000 0.223 1374 R C 1.809 178.254 176.300 0.241 0.000 1.088 1374 R CA 0.869 56.942 56.100 -0.046 0.000 0.985 1374 R CB -0.201 29.985 30.300 -0.191 0.000 0.880 1374 R HN -0.026 nan 8.270 nan 0.000 0.451 1375 E N 1.733 122.070 120.200 0.228 0.000 2.106 1375 E HA -0.121 4.231 4.350 0.003 0.000 0.192 1375 E C 1.674 178.406 176.600 0.219 0.000 0.984 1375 E CA 1.167 57.710 56.400 0.239 0.000 0.806 1375 E CB 0.009 29.790 29.700 0.135 0.000 0.750 1375 E HN 0.470 nan 8.360 nan 0.000 0.458 1376 K N 0.483 120.964 120.400 0.135 0.000 2.057 1376 K HA -0.045 4.277 4.320 0.003 0.000 0.206 1376 K C 2.191 178.879 176.600 0.145 0.000 1.050 1376 K CA 1.038 57.392 56.287 0.113 0.000 0.935 1376 K CB -0.100 32.417 32.500 0.029 0.000 0.715 1376 K HN 0.014 nan 8.250 nan 0.000 0.439 1377 A N 0.888 123.772 122.820 0.106 0.000 1.877 1377 A HA -0.218 4.104 4.320 0.003 0.000 0.216 1377 A C 2.076 179.816 177.584 0.260 0.000 1.186 1377 A CA 1.385 53.488 52.037 0.109 0.000 0.620 1377 A CB -0.853 18.133 19.000 -0.024 0.000 0.822 1377 A HN 0.454 nan 8.150 nan 0.000 0.443 1378 Y N 0.652 121.085 120.300 0.221 0.000 2.128 1378 Y HA -0.257 4.294 4.550 0.003 0.000 0.284 1378 Y C 2.374 178.428 175.900 0.256 0.000 1.154 1378 Y CA 2.542 60.801 58.100 0.265 0.000 1.149 1378 Y CB -0.237 38.378 38.460 0.258 0.000 0.976 1378 Y HN 0.401 nan 8.280 nan 0.000 0.505 1379 E N 0.043 120.363 120.200 0.199 0.000 2.077 1379 E HA -0.235 4.116 4.350 0.003 0.000 0.193 1379 E C 1.975 178.717 176.600 0.236 0.000 0.989 1379 E CA 1.598 58.094 56.400 0.161 0.000 0.800 1379 E CB -0.867 28.973 29.700 0.234 0.000 0.746 1379 E HN 0.535 nan 8.360 nan 0.000 0.452 1380 F N 0.577 120.577 119.950 0.084 0.000 2.102 1380 F HA -0.090 4.439 4.527 0.003 0.000 0.298 1380 F C 1.828 177.701 175.800 0.122 0.000 1.105 1380 F CA 1.509 59.533 58.000 0.041 0.000 1.239 1380 F CB -0.257 38.687 39.000 -0.093 0.000 0.991 1380 F HN 0.046 nan 8.300 nan 0.000 0.474 1381 L N -1.068 120.248 121.223 0.155 0.000 2.141 1381 L HA -0.221 4.121 4.340 0.003 0.000 0.209 1381 L C 2.367 179.288 176.870 0.085 0.000 1.094 1381 L CA 1.372 56.282 54.840 0.116 0.000 0.763 1381 L CB -1.050 41.144 42.059 0.225 0.000 0.908 1381 L HN 0.282 nan 8.230 nan 0.000 0.437 1382 Y N 0.957 121.202 120.300 -0.090 0.000 2.114 1382 Y HA -0.271 4.281 4.550 0.003 0.000 0.284 1382 Y C 2.755 178.732 175.900 0.127 0.000 1.143 1382 Y CA 1.539 59.598 58.100 -0.068 0.000 1.135 1382 Y CB -0.231 38.062 38.460 -0.277 0.000 0.980 1382 Y HN 0.115 nan 8.280 nan 0.000 0.499 1383 Q N -0.582 119.183 119.800 -0.057 0.000 2.170 1383 Q HA -0.244 4.097 4.340 0.003 0.000 0.203 1383 Q C 2.306 178.069 176.000 -0.395 0.000 0.976 1383 Q CA 1.906 57.535 55.803 -0.291 0.000 0.858 1383 Q CB -0.722 27.998 28.738 -0.029 0.000 0.907 1383 Q HN 0.724 nan 8.270 nan 0.000 0.433 1384 H N -0.345 118.583 119.070 -0.236 0.000 2.372 1384 H HA 0.028 4.585 4.556 0.003 0.000 0.301 1384 H C 0.742 175.954 175.328 -0.193 0.000 1.065 1384 H CA 1.046 56.962 56.048 -0.221 0.000 1.364 1384 H CB 0.653 30.306 29.762 -0.183 0.000 1.406 1384 H HN 0.187 nan 8.280 nan 0.000 0.521 1385 Q N 0.825 120.509 119.800 -0.194 0.000 2.038 1385 Q HA 0.095 4.437 4.340 0.003 0.000 0.240 1385 Q C -1.141 174.816 176.000 -0.070 0.000 0.831 1385 Q CA -0.267 55.412 55.803 -0.207 0.000 1.068 1385 Q CB 0.884 29.524 28.738 -0.164 0.000 1.241 1385 Q HN 0.293 nan 8.270 nan 0.000 0.435 1386 D N -1.185 119.209 120.400 -0.010 0.000 2.399 1386 D HA 0.071 4.713 4.640 0.003 0.000 0.241 1386 D C 0.821 177.100 176.300 -0.036 0.000 1.133 1386 D CA 0.434 54.436 54.000 0.004 0.000 0.890 1386 D CB 1.210 41.922 40.800 -0.146 0.000 1.201 1386 D HN 0.003 nan 8.370 nan 0.000 0.432 1387 S N 0.892 116.616 115.700 0.040 0.000 2.383 1387 S HA -0.222 4.250 4.470 0.003 0.000 0.229 1387 S C 2.045 176.682 174.600 0.061 0.000 1.030 1387 S CA 1.248 59.504 58.200 0.093 0.000 1.002 1387 S CB -0.421 63.031 63.200 0.420 0.000 0.829 1387 S HN 0.686 nan 8.310 nan 0.000 0.467 1388 S N 0.871 116.561 115.700 -0.017 0.000 2.419 1388 S HA -0.100 4.372 4.470 0.003 0.000 0.235 1388 S C 1.432 175.886 174.600 -0.244 0.000 1.019 1388 S CA 1.101 59.232 58.200 -0.114 0.000 0.982 1388 S CB -0.545 62.436 63.200 -0.364 0.000 0.789 1388 S HN 0.448 nan 8.310 nan 0.000 0.490 1389 F N 1.088 120.985 119.950 -0.089 0.000 2.298 1389 F HA 0.268 4.796 4.527 0.003 0.000 0.282 1389 F C 2.930 178.617 175.800 -0.188 0.000 1.045 1389 F CA -0.441 57.469 58.000 -0.149 0.000 1.280 1389 F CB -1.224 37.626 39.000 -0.249 0.000 1.114 1389 F HN 0.239 nan 8.300 nan 0.000 0.546 1390 C N 0.000 119.263 119.300 -0.062 0.000 2.432 1390 C HA -0.153 4.308 4.460 0.003 0.000 0.277 1390 C C 2.717 177.498 174.990 -0.348 0.000 1.249 1390 C CA 0.586 59.468 59.018 -0.228 0.000 1.725 1390 C CB -1.543 25.997 27.740 -0.333 0.000 2.028 1390 C HN 0.381 nan 8.230 nan 0.000 0.477 1391 F N 1.462 121.112 119.950 -0.500 0.000 2.293 1391 F HA -0.127 4.401 4.527 0.003 0.000 0.300 1391 F C 2.434 177.610 175.800 -1.040 0.000 1.086 1391 F CA 1.358 58.753 58.000 -1.008 0.000 1.375 1391 F CB -0.141 37.718 39.000 -1.901 0.000 1.045 1391 F HN 0.136 nan 8.300 nan 0.000 0.516 1392 K N 1.178 121.342 120.400 -0.392 0.000 2.062 1392 K HA -0.203 4.119 4.320 0.003 0.000 0.205 1392 K C 1.860 178.492 176.600 0.053 0.000 1.051 1392 K CA 1.641 57.913 56.287 -0.024 0.000 0.941 1392 K CB -0.474 32.110 32.500 0.140 0.000 0.719 1392 K HN 0.277 nan 8.250 nan 0.000 0.440 1393 E N 0.252 120.454 120.200 0.003 0.000 2.058 1393 E HA -0.266 4.086 4.350 0.003 0.000 0.194 1393 E C 1.960 178.600 176.600 0.066 0.000 0.997 1393 E CA 1.551 57.972 56.400 0.036 0.000 0.801 1393 E CB -0.025 29.677 29.700 0.002 0.000 0.746 1393 E HN 0.505 nan 8.360 nan 0.000 0.450 1394 Q N -0.538 119.278 119.800 0.027 0.000 2.119 1394 Q HA -0.148 4.193 4.340 0.003 0.000 0.201 1394 Q C 2.022 178.126 176.000 0.173 0.000 0.972 1394 Q CA 1.404 57.261 55.803 0.090 0.000 0.847 1394 Q CB -0.245 28.460 28.738 -0.054 0.000 0.903 1394 Q HN 0.326 nan 8.270 nan 0.000 0.433 1395 F N 2.104 122.034 119.950 -0.034 0.000 2.134 1395 F HA -0.223 4.306 4.527 0.003 0.000 0.299 1395 F C 1.435 177.292 175.800 0.094 0.000 1.097 1395 F CA 1.491 59.525 58.000 0.057 0.000 1.264 1395 F CB 0.031 39.066 39.000 0.059 0.000 1.001 1395 F HN 0.006 nan 8.300 nan 0.000 0.479 1396 D N 0.538 121.079 120.400 0.235 0.000 2.144 1396 D HA -0.158 4.483 4.640 0.003 0.000 0.199 1396 D C 2.411 178.689 176.300 -0.036 0.000 0.984 1396 D CA 1.563 55.635 54.000 0.119 0.000 0.834 1396 D CB -0.322 40.562 40.800 0.140 0.000 0.955 1396 D HN 0.370 nan 8.370 nan 0.000 0.465 1397 I N 0.433 120.970 120.570 -0.055 0.000 2.353 1397 I HA -0.168 4.004 4.170 0.003 0.000 0.248 1397 I C 2.280 178.246 176.117 -0.252 0.000 1.119 1397 I CA 0.570 61.730 61.300 -0.234 0.000 1.417 1397 I CB -0.024 37.788 38.000 -0.313 0.000 1.078 1397 I HN -0.051 nan 8.210 nan 0.000 0.421 1398 I N 0.655 121.154 120.570 -0.119 0.000 2.252 1398 I HA -0.241 3.930 4.170 0.003 0.000 0.245 1398 I C 2.375 178.376 176.117 -0.194 0.000 1.102 1398 I CA 1.876 63.104 61.300 -0.121 0.000 1.385 1398 I CB -0.481 37.505 38.000 -0.023 0.000 1.064 1398 I HN 0.355 nan 8.210 nan 0.000 0.414 1399 T N -1.843 112.538 114.554 -0.289 0.000 3.107 1399 T HA 0.051 4.402 4.350 0.003 0.000 0.249 1399 T C 0.925 175.549 174.700 -0.126 0.000 1.096 1399 T CA -0.299 61.653 62.100 -0.247 0.000 1.012 1399 T CB -0.058 68.582 68.868 -0.381 0.000 0.977 1399 T HN 0.162 nan 8.240 nan 0.000 0.527 1400 K N 0.000 120.329 120.400 -0.118 0.000 2.780 1400 K HA 0.000 4.322 4.320 0.003 0.000 0.191 1400 K CA 0.000 56.244 56.287 -0.072 0.000 0.838 1400 K CB 0.000 32.444 32.500 -0.094 0.000 1.064 1400 K HN 0.000 nan 8.250 nan 0.000 0.543