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 2j4u_1_P DATA FIRST_RESID 1001 DATA SEQUENCE AEVYNKDGNK LDLYGKVDGL HYFSDNKDVD GDQTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNSAENENN SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYGSDNF MQQRGNGFAT YRNTDFFGLV DGLNFAVQYQ DATA SEQUENCE GKNGNPSGEG FTSGVTNNGR DXXXXXXXXX GGSITYDYEG FGIGGAISSS DATA SEQUENCE KRTDAQNTAA YIGNGDRAET YTGGLKYDAN NIYLAAQYTQ TYNATRVGSL DATA SEQUENCE GWANKAQNFE AVAQYQFDFG LRPSLAYLQS KGKNLGRGYD DEDILKYVDV DATA SEQUENCE GATYYFNKNM STYVDYKINL LDDNQFTRDA GINTDNIVAL GLVYQF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 A HA 0.000 nan 4.320 nan 0.000 0.244 1001 A C 0.000 177.700 177.584 0.194 0.000 1.274 1001 A CA 0.000 52.178 52.037 0.234 0.000 0.836 1001 A CB 0.000 19.215 19.000 0.359 0.000 0.831 1002 E N 2.337 122.613 120.200 0.126 0.000 2.126 1002 E HA 0.224 4.574 4.350 -0.000 0.000 0.261 1002 E C 0.735 177.403 176.600 0.113 0.000 1.180 1002 E CA 0.550 57.014 56.400 0.106 0.000 1.055 1002 E CB -0.769 28.970 29.700 0.063 0.000 1.088 1002 E HN 1.029 nan 8.360 nan 0.000 0.444 1003 V N 2.235 122.238 119.914 0.149 0.000 4.769 1003 V HA 0.029 4.149 4.120 -0.000 0.000 0.212 1003 V C 0.990 177.177 176.094 0.155 0.000 1.136 1003 V CA -0.113 62.277 62.300 0.150 0.000 0.980 1003 V CB -0.840 31.082 31.823 0.166 0.000 1.137 1003 V HN 0.558 nan 8.190 nan 0.000 0.341 1004 Y N 3.033 123.354 120.300 0.035 0.000 3.121 1004 Y HA -0.006 4.544 4.550 -0.000 0.000 0.357 1004 Y C 0.530 176.444 175.900 0.023 0.000 1.250 1004 Y CA 1.868 59.980 58.100 0.019 0.000 1.594 1004 Y CB -0.194 38.268 38.460 0.003 0.000 1.145 1004 Y HN 0.896 nan 8.280 nan 0.000 0.604 1005 N N 4.901 123.446 118.700 -0.258 0.000 3.151 1005 N HA 0.154 4.894 4.740 -0.000 0.000 0.219 1005 N C -2.075 173.233 175.510 -0.336 0.000 1.434 1005 N CA -0.710 52.229 53.050 -0.185 0.000 0.767 1005 N CB 0.544 39.000 38.487 -0.052 0.000 1.564 1005 N HN 0.654 nan 8.380 nan 0.000 0.612 1006 K N 1.797 121.927 120.400 -0.450 0.000 2.482 1006 K HA 0.294 4.614 4.320 -0.000 0.000 0.251 1006 K C -1.115 175.420 176.600 -0.108 0.000 0.936 1006 K CA -0.547 55.527 56.287 -0.354 0.000 0.791 1006 K CB 1.034 33.150 32.500 -0.639 0.000 1.213 1006 K HN 0.495 nan 8.250 nan 0.000 0.428 1007 D N 3.435 123.801 120.400 -0.057 0.000 3.665 1007 D HA -0.260 4.380 4.640 -0.000 0.000 0.206 1007 D C 0.599 176.916 176.300 0.028 0.000 1.080 1007 D CA 1.482 55.481 54.000 -0.002 0.000 1.080 1007 D CB -1.160 39.647 40.800 0.011 0.000 0.781 1007 D HN 0.909 nan 8.370 nan 0.000 0.401 1008 G N 3.516 112.331 108.800 0.024 0.000 5.266 1008 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.262 1008 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.262 1008 G C 0.295 175.228 174.900 0.055 0.000 1.359 1008 G CA 0.541 45.665 45.100 0.039 0.000 0.955 1008 G HN 1.009 nan 8.290 nan 0.000 0.754 1009 N N 2.055 120.804 118.700 0.082 0.000 2.411 1009 N HA 0.309 5.049 4.740 -0.000 0.000 0.261 1009 N C -0.336 175.268 175.510 0.155 0.000 1.248 1009 N CA 1.315 54.438 53.050 0.122 0.000 0.885 1009 N CB 0.173 38.749 38.487 0.148 0.000 1.062 1009 N HN 0.771 nan 8.380 nan 0.000 0.471 1010 K N 3.087 123.570 120.400 0.139 0.000 2.513 1010 K HA 0.425 4.745 4.320 -0.000 0.000 0.251 1010 K C -1.136 175.554 176.600 0.150 0.000 0.939 1010 K CA -0.696 55.679 56.287 0.148 0.000 0.793 1010 K CB 1.656 34.207 32.500 0.084 0.000 1.241 1010 K HN 0.271 nan 8.250 nan 0.000 0.431 1011 L N 2.049 123.379 121.223 0.178 0.000 2.322 1011 L HA 0.496 4.836 4.340 -0.000 0.000 0.279 1011 L C -1.052 175.920 176.870 0.170 0.000 1.036 1011 L CA -0.553 54.379 54.840 0.153 0.000 0.807 1011 L CB 1.743 43.883 42.059 0.136 0.000 1.226 1011 L HN 0.894 nan 8.230 nan 0.000 0.433 1012 D N 4.206 124.732 120.400 0.210 0.000 2.358 1012 D HA 0.176 4.816 4.640 -0.000 0.000 0.253 1012 D C -0.945 175.551 176.300 0.326 0.000 1.288 1012 D CA -0.417 53.723 54.000 0.233 0.000 0.950 1012 D CB 0.933 41.845 40.800 0.187 0.000 1.197 1012 D HN 0.160 nan 8.370 nan 0.000 0.550 1013 L N 4.635 126.032 121.223 0.291 0.000 2.410 1013 L HA 0.307 4.647 4.340 -0.000 0.000 0.273 1013 L C -0.729 176.322 176.870 0.301 0.000 1.152 1013 L CA 0.141 55.164 54.840 0.305 0.000 0.855 1013 L CB 0.004 42.253 42.059 0.315 0.000 1.129 1013 L HN 0.573 nan 8.230 nan 0.000 0.463 1014 Y N 2.742 123.015 120.300 -0.046 0.000 2.670 1014 Y HA 0.811 5.361 4.550 -0.000 0.000 0.334 1014 Y C -0.333 174.946 175.900 -1.034 0.000 1.185 1014 Y CA -0.274 57.426 58.100 -0.665 0.000 1.053 1014 Y CB 1.608 39.861 38.460 -0.345 0.000 1.298 1014 Y HN 0.751 nan 8.280 nan 0.000 0.459 1015 G N 1.317 109.449 108.800 -1.112 0.000 2.345 1015 G HA2 0.490 4.450 3.960 -0.000 0.000 0.285 1015 G HA3 0.490 4.450 3.960 -0.000 0.000 0.285 1015 G C -2.206 172.542 174.900 -0.253 0.000 1.297 1015 G CA -0.662 44.113 45.100 -0.541 0.000 0.875 1015 G HN 1.228 nan 8.290 nan 0.000 0.506 1016 K N -2.129 118.310 120.400 0.064 0.000 2.639 1016 K HA 0.690 5.010 4.320 -0.000 0.000 0.279 1016 K C -1.597 175.044 176.600 0.067 0.000 0.976 1016 K CA -0.944 55.431 56.287 0.147 0.000 0.861 1016 K CB 1.645 34.149 32.500 0.007 0.000 1.436 1016 K HN 0.959 nan 8.250 nan 0.000 0.400 1017 V N 1.077 121.062 119.914 0.117 0.000 2.540 1017 V HA 0.545 4.665 4.120 -0.000 0.000 0.302 1017 V C -1.302 174.769 176.094 -0.037 0.000 1.035 1017 V CA -0.417 61.873 62.300 -0.016 0.000 0.873 1017 V CB 1.765 33.612 31.823 0.040 0.000 0.992 1017 V HN 0.897 nan 8.190 nan 0.000 0.428 1018 D N 3.332 123.616 120.400 -0.193 0.000 2.505 1018 D HA 0.436 5.076 4.640 -0.000 0.000 0.250 1018 D C 0.085 176.406 176.300 0.035 0.000 1.164 1018 D CA -0.205 53.736 54.000 -0.099 0.000 0.870 1018 D CB 2.046 42.633 40.800 -0.355 0.000 1.160 1018 D HN 0.718 nan 8.370 nan 0.000 0.549 1019 G N 4.177 113.028 108.800 0.086 0.000 2.571 1019 G HA2 0.478 4.438 3.960 -0.000 0.000 0.327 1019 G HA3 0.478 4.438 3.960 -0.000 0.000 0.327 1019 G C -0.528 174.438 174.900 0.109 0.000 1.008 1019 G CA -0.420 44.728 45.100 0.080 0.000 1.136 1019 G HN 0.466 nan 8.290 nan 0.000 0.444 1020 L N 2.506 123.821 121.223 0.153 0.000 2.381 1020 L HA 0.700 5.040 4.340 -0.000 0.000 0.268 1020 L C -1.418 175.556 176.870 0.173 0.000 0.997 1020 L CA -1.023 53.938 54.840 0.200 0.000 0.818 1020 L CB 2.717 44.949 42.059 0.287 0.000 1.310 1020 L HN 0.660 nan 8.230 nan 0.000 0.416 1021 H N 2.593 121.724 119.070 0.102 0.000 2.894 1021 H HA 0.494 5.050 4.556 -0.000 0.000 0.367 1021 H C -1.872 173.569 175.328 0.188 0.000 1.144 1021 H CA -0.402 55.643 56.048 -0.005 0.000 1.180 1021 H CB 1.950 31.632 29.762 -0.133 0.000 1.758 1021 H HN 0.417 nan 8.280 nan 0.000 0.541 1022 Y N 3.941 123.994 120.300 -0.411 0.000 2.331 1022 Y HA 0.317 4.867 4.550 -0.000 0.000 0.334 1022 Y C -1.191 174.481 175.900 -0.381 0.000 0.960 1022 Y CA -1.179 56.809 58.100 -0.188 0.000 1.130 1022 Y CB 0.785 39.160 38.460 -0.142 0.000 1.164 1022 Y HN 0.467 nan 8.280 nan 0.000 0.458 1023 F N 1.815 121.919 119.950 0.256 0.000 2.427 1023 F HA 0.655 5.182 4.527 0.000 0.000 0.346 1023 F C 0.426 176.287 175.800 0.101 0.000 1.120 1023 F CA -0.562 57.543 58.000 0.175 0.000 1.033 1023 F CB 1.885 40.973 39.000 0.148 0.000 1.126 1023 F HN 0.279 nan 8.300 nan 0.000 0.462 1024 S N 1.132 116.963 115.700 0.217 0.000 2.537 1024 S HA 0.202 4.672 4.470 -0.000 0.000 0.271 1024 S C -0.021 174.638 174.600 0.098 0.000 1.148 1024 S CA -0.689 57.584 58.200 0.121 0.000 0.868 1024 S CB 1.398 64.644 63.200 0.077 0.000 1.115 1024 S HN 0.647 nan 8.310 nan 0.000 0.461 1025 D N 1.510 121.951 120.400 0.070 0.000 2.264 1025 D HA -0.028 4.612 4.640 -0.000 0.000 0.208 1025 D C 0.458 176.782 176.300 0.038 0.000 0.966 1025 D CA 0.742 54.775 54.000 0.055 0.000 0.864 1025 D CB -0.023 40.803 40.800 0.043 0.000 0.933 1025 D HN 0.427 nan 8.370 nan 0.000 0.499 1026 N N 1.539 120.257 118.700 0.029 0.000 2.448 1026 N HA -0.035 4.705 4.740 -0.000 0.000 0.250 1026 N C 0.171 175.693 175.510 0.020 0.000 1.136 1026 N CA 0.073 53.133 53.050 0.016 0.000 0.953 1026 N CB 0.220 38.707 38.487 -0.001 0.000 1.251 1026 N HN -0.033 nan 8.380 nan 0.000 0.502 1027 K N 1.807 122.217 120.400 0.016 0.000 2.630 1027 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 1027 K C -0.231 176.368 176.600 -0.002 0.000 1.024 1027 K CA 0.257 56.551 56.287 0.011 0.000 1.157 1027 K CB 0.444 32.953 32.500 0.015 0.000 0.899 1027 K HN 0.442 nan 8.250 nan 0.000 0.501 1028 D N -0.657 119.742 120.400 -0.002 0.000 2.489 1028 D HA -0.052 4.588 4.640 -0.000 0.000 0.231 1028 D C 1.227 177.521 176.300 -0.010 0.000 1.114 1028 D CA 0.117 54.109 54.000 -0.012 0.000 0.842 1028 D CB 0.890 41.681 40.800 -0.014 0.000 1.133 1028 D HN 0.044 nan 8.370 nan 0.000 0.506 1029 V N -2.206 117.720 119.914 0.020 0.000 3.645 1029 V HA 0.298 4.418 4.120 -0.000 0.000 0.275 1029 V C 0.422 176.563 176.094 0.078 0.000 1.356 1029 V CA -0.339 62.007 62.300 0.076 0.000 1.051 1029 V CB 0.036 31.947 31.823 0.148 0.000 0.828 1029 V HN -0.151 nan 8.190 nan 0.000 0.441 1030 D N 1.101 121.514 120.400 0.023 0.000 2.455 1030 D HA 0.458 5.098 4.640 -0.000 0.000 0.241 1030 D C 0.886 177.096 176.300 -0.151 0.000 1.138 1030 D CA 2.442 56.433 54.000 -0.014 0.000 0.877 1030 D CB 0.836 41.638 40.800 0.002 0.000 1.187 1030 D HN 0.727 nan 8.370 nan 0.000 0.451 1031 G N 3.355 111.951 108.800 -0.340 0.000 2.715 1031 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.221 1031 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.221 1031 G C -0.678 173.560 174.900 -1.102 0.000 1.204 1031 G CA -0.120 44.561 45.100 -0.697 0.000 1.063 1031 G HN 0.740 nan 8.290 nan 0.000 0.586 1032 D N 0.931 120.977 120.400 -0.591 0.000 2.317 1032 D HA 0.596 5.236 4.640 -0.000 0.000 0.252 1032 D C 0.972 177.093 176.300 -0.298 0.000 1.174 1032 D CA 0.022 53.795 54.000 -0.378 0.000 0.866 1032 D CB 0.893 41.620 40.800 -0.121 0.000 1.127 1032 D HN 0.287 nan 8.370 nan 0.000 0.467 1033 Q N 2.078 121.712 119.800 -0.278 0.000 2.171 1033 Q HA 0.110 4.450 4.340 -0.000 0.000 0.218 1033 Q C -0.155 175.807 176.000 -0.063 0.000 0.822 1033 Q CA -0.063 55.571 55.803 -0.280 0.000 0.987 1033 Q CB 0.335 28.740 28.738 -0.556 0.000 1.144 1033 Q HN 0.512 nan 8.270 nan 0.000 0.494 1034 T N 3.058 117.632 114.554 0.033 0.000 2.657 1034 T HA -0.091 4.259 4.350 -0.000 0.000 0.245 1034 T C -0.117 174.706 174.700 0.205 0.000 1.021 1034 T CA 1.116 63.287 62.100 0.119 0.000 1.155 1034 T CB -0.384 68.517 68.868 0.054 0.000 1.022 1034 T HN 0.248 nan 8.240 nan 0.000 0.477 1035 Y N 0.665 120.939 120.300 -0.045 0.000 2.896 1035 Y HA 0.848 5.398 4.550 -0.000 0.000 0.317 1035 Y C -0.813 175.052 175.900 -0.057 0.000 1.444 1035 Y CA -2.048 56.002 58.100 -0.083 0.000 1.084 1035 Y CB 1.364 39.757 38.460 -0.112 0.000 1.382 1035 Y HN 0.559 nan 8.280 nan 0.000 0.471 1036 M N 1.411 120.898 119.600 -0.188 0.000 2.622 1036 M HA 0.677 5.157 4.480 -0.000 0.000 0.276 1036 M C -2.244 173.920 176.300 -0.227 0.000 1.265 1036 M CA -0.540 54.586 55.300 -0.290 0.000 0.850 1036 M CB 3.115 35.642 32.600 -0.122 0.000 1.720 1036 M HN 1.030 nan 8.290 nan 0.000 0.465 1037 R N 2.417 122.802 120.500 -0.192 0.000 2.668 1037 R HA 0.780 5.120 4.340 -0.000 0.000 0.272 1037 R C -1.237 174.958 176.300 -0.175 0.000 1.019 1037 R CA -0.990 54.993 56.100 -0.195 0.000 0.894 1037 R CB 2.198 32.387 30.300 -0.185 0.000 1.228 1037 R HN 0.812 nan 8.270 nan 0.000 0.460 1038 L N -1.645 119.444 121.223 -0.223 0.000 2.333 1038 L HA 1.036 5.376 4.340 -0.000 0.000 0.263 1038 L C -0.482 176.014 176.870 -0.624 0.000 1.014 1038 L CA -0.686 53.975 54.840 -0.298 0.000 0.820 1038 L CB 2.636 44.707 42.059 0.020 0.000 1.352 1038 L HN 0.766 nan 8.230 nan 0.000 0.421 1039 G N 0.666 108.879 108.800 -0.978 0.000 2.646 1039 G HA2 0.584 4.544 3.960 -0.000 0.000 0.291 1039 G HA3 0.584 4.544 3.960 -0.000 0.000 0.291 1039 G C -1.815 172.746 174.900 -0.565 0.000 1.445 1039 G CA -0.630 43.906 45.100 -0.938 0.000 0.814 1039 G HN 0.870 nan 8.290 nan 0.000 0.495 1040 F N -0.685 119.255 119.950 -0.015 0.000 2.522 1040 F HA 0.883 5.410 4.527 -0.000 0.000 0.324 1040 F C -0.217 175.722 175.800 0.233 0.000 1.077 1040 F CA -1.490 56.583 58.000 0.123 0.000 0.944 1040 F CB 1.804 40.883 39.000 0.132 0.000 1.175 1040 F HN 0.319 nan 8.300 nan 0.000 0.468 1041 K N 1.123 121.851 120.400 0.547 0.000 2.156 1041 K HA 0.763 5.083 4.320 -0.000 0.000 0.254 1041 K C -0.537 176.300 176.600 0.394 0.000 0.950 1041 K CA -1.093 55.422 56.287 0.381 0.000 0.849 1041 K CB 2.136 34.773 32.500 0.227 0.000 1.100 1041 K HN 1.051 nan 8.250 nan 0.000 0.434 1042 G N 1.587 110.588 108.800 0.335 0.000 2.687 1042 G HA2 0.401 4.361 3.960 -0.000 0.000 0.301 1042 G HA3 0.401 4.361 3.960 -0.000 0.000 0.301 1042 G C -1.291 173.731 174.900 0.203 0.000 1.416 1042 G CA -0.488 44.751 45.100 0.233 0.000 1.005 1042 G HN 0.519 nan 8.290 nan 0.000 0.509 1043 E N 0.582 120.873 120.200 0.151 0.000 2.248 1043 E HA 0.553 4.903 4.350 -0.000 0.000 0.267 1043 E C -1.129 175.539 176.600 0.112 0.000 0.877 1043 E CA -0.846 55.640 56.400 0.142 0.000 0.759 1043 E CB 2.790 32.555 29.700 0.109 0.000 1.182 1043 E HN 0.380 nan 8.360 nan 0.000 0.418 1044 T N 1.329 115.946 114.554 0.104 0.000 2.876 1044 T HA 0.334 4.684 4.350 -0.000 0.000 0.289 1044 T C -1.481 173.264 174.700 0.074 0.000 1.014 1044 T CA -0.736 61.413 62.100 0.081 0.000 0.986 1044 T CB 1.261 70.169 68.868 0.066 0.000 1.021 1044 T HN 0.515 nan 8.240 nan 0.000 0.458 1045 Q N 3.731 123.568 119.800 0.062 0.000 2.381 1045 Q HA 0.539 4.879 4.340 -0.000 0.000 0.263 1045 Q C -0.277 175.752 176.000 0.049 0.000 1.030 1045 Q CA -0.742 55.094 55.803 0.055 0.000 0.772 1045 Q CB 1.303 30.070 28.738 0.048 0.000 1.232 1045 Q HN 0.383 nan 8.270 nan 0.000 0.476 1046 V N 1.578 121.522 119.914 0.049 0.000 3.306 1046 V HA 0.125 4.245 4.120 -0.000 0.000 0.264 1046 V C 0.770 176.893 176.094 0.049 0.000 1.149 1046 V CA 1.188 63.517 62.300 0.047 0.000 1.143 1046 V CB -0.259 31.592 31.823 0.046 0.000 0.767 1046 V HN 0.958 nan 8.190 nan 0.000 0.476 1047 T N -2.012 112.573 114.554 0.051 0.000 2.665 1047 T HA 0.129 4.479 4.350 -0.000 0.000 0.275 1047 T C -0.699 174.032 174.700 0.052 0.000 1.755 1047 T CA 0.172 62.303 62.100 0.053 0.000 0.974 1047 T CB 0.786 69.693 68.868 0.065 0.000 2.069 1047 T HN 0.142 nan 8.240 nan 0.000 0.418 1048 D N -0.104 120.330 120.400 0.056 0.000 2.597 1048 D HA 0.086 4.726 4.640 -0.000 0.000 0.261 1048 D C 1.672 178.011 176.300 0.065 0.000 1.023 1048 D CA 0.431 54.462 54.000 0.053 0.000 0.927 1048 D CB 0.010 40.837 40.800 0.046 0.000 1.168 1048 D HN 0.534 nan 8.370 nan 0.000 0.491 1049 Q N 0.473 120.321 119.800 0.081 0.000 2.030 1049 Q HA -0.106 4.234 4.340 -0.000 0.000 0.204 1049 Q C 0.580 176.651 176.000 0.119 0.000 0.986 1049 Q CA 1.084 56.953 55.803 0.109 0.000 0.843 1049 Q CB 0.210 29.026 28.738 0.131 0.000 0.904 1049 Q HN 0.125 nan 8.270 nan 0.000 0.420 1050 L N 1.305 122.592 121.223 0.107 0.000 2.322 1050 L HA 0.496 4.836 4.340 -0.000 0.000 0.281 1050 L C -1.356 175.546 176.870 0.054 0.000 1.014 1050 L CA -0.196 54.699 54.840 0.091 0.000 0.815 1050 L CB 1.952 44.085 42.059 0.123 0.000 1.247 1050 L HN 0.258 nan 8.230 nan 0.000 0.421 1051 T N 3.288 117.860 114.554 0.031 0.000 2.921 1051 T HA 0.643 4.993 4.350 -0.000 0.000 0.297 1051 T C -0.072 174.675 174.700 0.079 0.000 1.013 1051 T CA -0.210 61.923 62.100 0.056 0.000 0.990 1051 T CB 1.335 70.242 68.868 0.065 0.000 1.023 1051 T HN 0.844 nan 8.240 nan 0.000 0.447 1052 G N 2.913 111.763 108.800 0.083 0.000 2.507 1052 G HA2 0.613 4.573 3.960 -0.000 0.000 0.271 1052 G HA3 0.613 4.573 3.960 -0.000 0.000 0.271 1052 G C -1.181 173.865 174.900 0.242 0.000 1.189 1052 G CA -0.461 44.693 45.100 0.089 0.000 0.859 1052 G HN 0.978 nan 8.290 nan 0.000 0.542 1053 Y N -1.983 118.354 120.300 0.061 0.000 2.656 1053 Y HA 0.712 5.262 4.550 0.000 0.000 0.334 1053 Y C -0.244 175.739 175.900 0.138 0.000 1.179 1053 Y CA -1.298 56.860 58.100 0.097 0.000 1.050 1053 Y CB 1.146 39.664 38.460 0.096 0.000 1.308 1053 Y HN 0.916 nan 8.280 nan 0.000 0.456 1054 G N 1.312 110.320 108.800 0.346 0.000 2.740 1054 G HA2 0.526 4.486 3.960 -0.000 0.000 0.296 1054 G HA3 0.526 4.486 3.960 -0.000 0.000 0.296 1054 G C -2.392 172.599 174.900 0.152 0.000 1.439 1054 G CA -0.819 44.428 45.100 0.246 0.000 1.066 1054 G HN 0.829 nan 8.290 nan 0.000 0.527 1055 Q N 0.612 120.250 119.800 -0.270 0.000 2.423 1055 Q HA 0.660 5.000 4.340 -0.000 0.000 0.278 1055 Q C -2.121 173.546 176.000 -0.556 0.000 1.097 1055 Q CA -1.097 54.466 55.803 -0.400 0.000 0.809 1055 Q CB 2.886 31.367 28.738 -0.428 0.000 1.391 1055 Q HN 0.581 nan 8.270 nan 0.000 0.428 1056 W N 3.212 124.030 121.300 -0.802 0.000 2.934 1056 W HA 0.415 5.075 4.660 -0.000 0.000 0.333 1056 W C -1.770 174.464 176.519 -0.474 0.000 1.035 1056 W CA -0.217 56.683 57.345 -0.743 0.000 1.256 1056 W CB 1.188 29.936 29.460 -1.187 0.000 1.306 1056 W HN 0.651 nan 8.180 nan 0.000 0.430 1057 E N 3.977 123.673 120.200 -0.841 0.000 2.227 1057 E HA 0.493 4.843 4.350 -0.000 0.000 0.268 1057 E C -2.115 173.950 176.600 -0.891 0.000 0.907 1057 E CA -1.046 54.877 56.400 -0.794 0.000 0.786 1057 E CB 2.270 31.810 29.700 -0.267 0.000 1.191 1057 E HN 0.380 nan 8.360 nan 0.000 0.411 1058 Y N 2.329 122.025 120.300 -1.006 0.000 2.313 1058 Y HA 0.180 4.730 4.550 -0.000 0.000 0.320 1058 Y C -1.423 174.136 175.900 -0.569 0.000 1.171 1058 Y CA -0.535 57.066 58.100 -0.832 0.000 1.093 1058 Y CB 1.399 39.163 38.460 -1.159 0.000 1.224 1058 Y HN 0.502 nan 8.280 nan 0.000 0.421 1059 Q N 5.830 124.996 119.800 -1.057 0.000 2.226 1059 Q HA 0.710 5.050 4.340 -0.000 0.000 0.256 1059 Q C -1.380 173.906 176.000 -1.190 0.000 0.962 1059 Q CA -0.840 54.414 55.803 -0.914 0.000 0.887 1059 Q CB 1.459 29.721 28.738 -0.794 0.000 1.282 1059 Q HN 0.737 nan 8.270 nan 0.000 0.449 1060 I N 3.209 123.367 120.570 -0.688 0.000 2.478 1060 I HA 0.209 4.379 4.170 -0.000 0.000 0.287 1060 I C -0.254 175.668 176.117 -0.325 0.000 1.042 1060 I CA -0.948 60.031 61.300 -0.534 0.000 1.067 1060 I CB 1.753 39.595 38.000 -0.263 0.000 1.233 1060 I HN 0.546 nan 8.210 nan 0.000 0.431 1061 Q N 3.287 122.906 119.800 -0.301 0.000 2.474 1061 Q HA 0.209 4.549 4.340 -0.000 0.000 0.256 1061 Q C 0.917 176.883 176.000 -0.057 0.000 1.048 1061 Q CA 0.304 56.033 55.803 -0.123 0.000 0.922 1061 Q CB 0.955 29.655 28.738 -0.064 0.000 1.288 1061 Q HN 0.965 nan 8.270 nan 0.000 0.484 1062 G N 0.688 109.486 108.800 -0.003 0.000 4.008 1062 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.278 1062 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.278 1062 G C 0.222 175.122 174.900 -0.001 0.000 1.021 1062 G CA -0.221 44.876 45.100 -0.005 0.000 0.833 1062 G HN 0.598 nan 8.290 nan 0.000 0.454 1063 N N 0.722 119.417 118.700 -0.010 0.000 2.273 1063 N HA 0.111 4.851 4.740 -0.000 0.000 0.231 1063 N C 0.264 175.758 175.510 -0.027 0.000 1.134 1063 N CA 0.201 53.237 53.050 -0.023 0.000 0.856 1063 N CB 0.369 38.824 38.487 -0.052 0.000 1.068 1063 N HN 0.231 nan 8.380 nan 0.000 0.510 1064 S N -1.275 114.414 115.700 -0.019 0.000 2.704 1064 S HA 0.821 5.291 4.470 -0.000 0.000 0.296 1064 S C -0.373 174.222 174.600 -0.009 0.000 1.138 1064 S CA -0.777 57.415 58.200 -0.015 0.000 0.875 1064 S CB 1.425 64.618 63.200 -0.013 0.000 1.151 1064 S HN 0.318 nan 8.310 nan 0.000 0.500 1065 A N 0.479 123.295 122.820 -0.006 0.000 2.445 1065 A HA 0.324 4.644 4.320 -0.000 0.000 0.242 1065 A C 0.864 178.447 177.584 -0.001 0.000 1.075 1065 A CA -0.258 51.778 52.037 -0.003 0.000 0.777 1065 A CB -0.642 18.356 19.000 -0.002 0.000 1.013 1065 A HN 0.953 nan 8.150 nan 0.000 0.493 1066 E N 0.928 121.128 120.200 -0.000 0.000 2.483 1066 E HA -0.209 4.141 4.350 -0.000 0.000 0.205 1066 E C 0.782 177.385 176.600 0.004 0.000 1.075 1066 E CA 0.835 57.236 56.400 0.002 0.000 0.889 1066 E CB -0.092 29.609 29.700 0.001 0.000 0.816 1066 E HN 0.654 nan 8.360 nan 0.000 0.567 1067 N N 0.606 119.308 118.700 0.003 0.000 2.494 1067 N HA -0.114 4.626 4.740 -0.000 0.000 0.182 1067 N C 0.930 176.445 175.510 0.007 0.000 1.076 1067 N CA 0.757 53.810 53.050 0.005 0.000 0.908 1067 N CB 0.370 38.858 38.487 0.003 0.000 0.967 1067 N HN 0.258 nan 8.380 nan 0.000 0.449 1068 E N -1.125 119.079 120.200 0.008 0.000 2.744 1068 E HA 0.011 4.361 4.350 -0.000 0.000 0.210 1068 E C 0.146 176.755 176.600 0.016 0.000 0.950 1068 E CA 0.098 56.504 56.400 0.011 0.000 1.282 1068 E CB -0.007 29.697 29.700 0.006 0.000 1.123 1068 E HN 0.202 nan 8.360 nan 0.000 0.544 1069 N N 1.349 120.059 118.700 0.017 0.000 1.704 1069 N HA -0.318 4.422 4.740 -0.000 0.000 0.208 1069 N C 0.864 176.394 175.510 0.032 0.000 1.385 1069 N CA 2.266 55.333 53.050 0.029 0.000 4.019 1069 N CB -2.423 36.085 38.487 0.035 0.000 0.691 1069 N HN 0.411 nan 8.380 nan 0.000 0.308 1070 N N 1.890 120.607 118.700 0.028 0.000 1.997 1070 N HA -0.204 4.536 4.740 -0.000 0.000 0.198 1070 N C 0.513 176.058 175.510 0.059 0.000 1.070 1070 N CA 3.308 56.391 53.050 0.054 0.000 0.864 1070 N CB -0.896 37.633 38.487 0.071 0.000 1.066 1070 N HN 1.241 nan 8.380 nan 0.000 0.425 1071 S N -0.122 115.520 115.700 -0.096 0.000 4.049 1071 S HA -0.166 4.304 4.470 -0.000 0.000 0.368 1071 S C -0.185 174.270 174.600 -0.243 0.000 0.773 1071 S CA 0.616 58.566 58.200 -0.416 0.000 1.294 1071 S CB -2.148 60.852 63.200 -0.334 0.000 1.880 1071 S HN 0.600 nan 8.310 nan 0.000 0.482 1072 W N 2.329 123.451 121.300 -0.298 0.000 2.630 1072 W HA 0.820 5.480 4.660 -0.000 0.000 0.365 1072 W C -0.098 176.332 176.519 -0.148 0.000 1.270 1072 W CA -0.781 56.496 57.345 -0.114 0.000 1.291 1072 W CB -0.094 29.303 29.460 -0.105 0.000 1.440 1072 W HN 0.410 nan 8.180 nan 0.000 0.652 1073 T N 1.795 116.664 114.554 0.525 0.000 2.743 1073 T HA 0.239 4.589 4.350 -0.000 0.000 0.293 1073 T C 0.868 175.729 174.700 0.268 0.000 0.945 1073 T CA -0.423 61.966 62.100 0.481 0.000 1.030 1073 T CB 1.187 70.292 68.868 0.395 0.000 0.912 1073 T HN 0.449 nan 8.240 nan 0.000 0.483 1074 R N 2.067 122.623 120.500 0.094 0.000 2.080 1074 R HA 0.318 4.658 4.340 -0.000 0.000 0.222 1074 R C 0.161 176.468 176.300 0.012 0.000 1.107 1074 R CA 0.473 56.608 56.100 0.059 0.000 0.980 1074 R CB 0.385 30.692 30.300 0.013 0.000 0.879 1074 R HN 0.385 nan 8.270 nan 0.000 0.439 1075 V N -0.967 118.925 119.914 -0.036 0.000 3.000 1075 V HA 0.633 4.753 4.120 -0.000 0.000 0.300 1075 V C -1.950 174.118 176.094 -0.043 0.000 1.251 1075 V CA -0.672 61.647 62.300 0.032 0.000 0.972 1075 V CB 2.128 34.012 31.823 0.102 0.000 1.065 1075 V HN 0.165 nan 8.190 nan 0.000 0.431 1076 A N 5.331 128.182 122.820 0.052 0.000 2.522 1076 A HA 0.845 5.165 4.320 -0.000 0.000 0.290 1076 A C -1.370 176.275 177.584 0.101 0.000 1.047 1076 A CA -0.372 51.677 52.037 0.019 0.000 0.935 1076 A CB 0.725 19.856 19.000 0.218 0.000 1.451 1076 A HN 1.821 nan 8.150 nan 0.000 0.398 1077 F N -0.327 119.649 119.950 0.042 0.000 2.719 1077 F HA 0.923 5.450 4.527 -0.000 0.000 0.309 1077 F C -0.356 175.444 175.800 0.001 0.000 1.138 1077 F CA -0.767 57.227 58.000 -0.010 0.000 0.943 1077 F CB 0.928 39.908 39.000 -0.034 0.000 1.304 1077 F HN 1.087 nan 8.300 nan 0.000 0.445 1078 A N 0.527 123.475 122.820 0.214 0.000 2.413 1078 A HA 1.046 5.366 4.320 -0.000 0.000 0.307 1078 A C -0.402 177.077 177.584 -0.176 0.000 1.087 1078 A CA -0.375 51.670 52.037 0.013 0.000 0.750 1078 A CB 1.398 20.407 19.000 0.014 0.000 1.296 1078 A HN 2.050 nan 8.150 nan 0.000 0.423 1079 G N -0.800 107.563 108.800 -0.728 0.000 2.619 1079 G HA2 0.573 4.533 3.960 -0.000 0.000 0.305 1079 G HA3 0.573 4.533 3.960 -0.000 0.000 0.305 1079 G C -2.351 172.008 174.900 -0.902 0.000 1.330 1079 G CA -0.484 44.135 45.100 -0.801 0.000 0.789 1079 G HN 0.738 nan 8.290 nan 0.000 0.487 1080 L N 0.026 121.027 121.223 -0.369 0.000 2.386 1080 L HA 0.694 5.034 4.340 -0.000 0.000 0.271 1080 L C -0.315 176.469 176.870 -0.144 0.000 0.993 1080 L CA -0.864 53.799 54.840 -0.296 0.000 0.819 1080 L CB 2.125 43.842 42.059 -0.571 0.000 1.294 1080 L HN 0.564 nan 8.230 nan 0.000 0.414 1081 K N 1.930 122.284 120.400 -0.077 0.000 2.358 1081 K HA 0.438 4.758 4.320 -0.000 0.000 0.260 1081 K C -0.001 176.569 176.600 -0.050 0.000 0.956 1081 K CA -0.240 56.062 56.287 0.024 0.000 0.834 1081 K CB 1.071 33.599 32.500 0.047 0.000 1.102 1081 K HN 0.324 nan 8.250 nan 0.000 0.431 1082 F N 2.083 122.117 119.950 0.140 0.000 2.220 1082 F HA -0.068 4.459 4.527 -0.000 0.000 0.290 1082 F C 1.668 177.528 175.800 0.100 0.000 1.080 1082 F CA 1.039 59.115 58.000 0.128 0.000 1.318 1082 F CB 0.315 39.406 39.000 0.152 0.000 1.063 1082 F HN 0.749 nan 8.300 nan 0.000 0.498 1083 Q N -2.190 117.765 119.800 0.257 0.000 7.951 1083 Q HA -0.151 4.189 4.340 -0.000 0.000 0.369 1083 Q C 0.389 176.477 176.000 0.147 0.000 0.945 1083 Q CA 1.061 56.962 55.803 0.163 0.000 0.540 1083 Q CB -1.178 27.648 28.738 0.147 0.000 0.156 1083 Q HN 0.145 nan 8.270 nan 0.000 0.899 1084 D N 0.471 120.978 120.400 0.180 0.000 2.652 1084 D HA 0.169 4.809 4.640 -0.000 0.000 0.261 1084 D C 1.874 178.355 176.300 0.301 0.000 1.024 1084 D CA 1.479 55.601 54.000 0.203 0.000 0.958 1084 D CB 0.443 41.353 40.800 0.182 0.000 1.113 1084 D HN 0.145 nan 8.370 nan 0.000 0.471 1085 V N 1.078 121.183 119.914 0.317 0.000 2.240 1085 V HA -0.127 3.993 4.120 -0.000 0.000 0.257 1085 V C 1.597 177.968 176.094 0.461 0.000 1.067 1085 V CA 2.001 64.553 62.300 0.420 0.000 1.067 1085 V CB -1.346 30.644 31.823 0.279 0.000 0.683 1085 V HN 0.519 nan 8.190 nan 0.000 0.461 1086 G N -1.198 107.794 108.800 0.319 0.000 2.340 1086 G HA2 0.374 4.334 3.960 -0.000 0.000 0.282 1086 G HA3 0.374 4.334 3.960 -0.000 0.000 0.282 1086 G C -0.601 174.371 174.900 0.120 0.000 1.312 1086 G CA -0.027 45.073 45.100 -0.000 0.000 0.942 1086 G HN 1.251 nan 8.290 nan 0.000 0.495 1087 S N -1.165 114.478 115.700 -0.096 0.000 2.638 1087 S HA 0.868 5.338 4.470 -0.000 0.000 0.298 1087 S C -0.874 173.888 174.600 0.271 0.000 1.111 1087 S CA -0.472 57.794 58.200 0.109 0.000 1.027 1087 S CB 2.119 65.349 63.200 0.049 0.000 1.064 1087 S HN 1.863 nan 8.310 nan 0.000 0.525 1088 F N 1.181 121.256 119.950 0.209 0.000 2.576 1088 F HA 0.682 5.209 4.527 -0.000 0.000 0.313 1088 F C -2.048 173.824 175.800 0.120 0.000 1.078 1088 F CA -0.573 57.566 58.000 0.232 0.000 0.921 1088 F CB 1.916 41.125 39.000 0.348 0.000 1.232 1088 F HN 0.905 nan 8.300 nan 0.000 0.459 1089 D N 3.290 123.150 120.400 -0.900 0.000 2.871 1089 D HA 0.212 4.852 4.640 -0.000 0.000 0.209 1089 D C -2.087 173.756 176.300 -0.761 0.000 1.292 1089 D CA -0.454 53.082 54.000 -0.773 0.000 0.869 1089 D CB 0.618 41.197 40.800 -0.370 0.000 1.663 1089 D HN 0.459 nan 8.370 nan 0.000 0.557 1090 Y N 2.143 122.048 120.300 -0.659 0.000 2.376 1090 Y HA 0.752 5.302 4.550 0.000 0.000 0.325 1090 Y C 0.570 176.454 175.900 -0.027 0.000 1.199 1090 Y CA 0.790 58.733 58.100 -0.261 0.000 1.206 1090 Y CB 1.478 39.905 38.460 -0.054 0.000 1.229 1090 Y HN 0.977 nan 8.280 nan 0.000 0.480 1091 G N 3.790 111.960 108.800 -1.050 0.000 2.368 1091 G HA2 0.074 4.034 3.960 -0.000 0.000 0.302 1091 G HA3 0.074 4.034 3.960 -0.000 0.000 0.302 1091 G C -1.735 173.026 174.900 -0.230 0.000 1.329 1091 G CA -1.204 43.600 45.100 -0.494 0.000 0.935 1091 G HN 0.826 nan 8.290 nan 0.000 0.590 1092 R N 0.884 121.363 120.500 -0.035 0.000 2.343 1092 R HA 0.442 4.782 4.340 -0.000 0.000 0.326 1092 R C -0.282 176.155 176.300 0.227 0.000 1.055 1092 R CA -0.008 56.114 56.100 0.037 0.000 0.961 1092 R CB 0.016 30.338 30.300 0.038 0.000 0.978 1092 R HN 0.540 nan 8.270 nan 0.000 0.443 1093 N N 2.571 121.447 118.700 0.294 0.000 3.157 1093 N HA 0.238 4.978 4.740 -0.000 0.000 0.291 1093 N C -1.692 173.975 175.510 0.261 0.000 1.515 1093 N CA -0.748 52.492 53.050 0.317 0.000 0.807 1093 N CB 0.727 39.243 38.487 0.048 0.000 1.672 1093 N HN 0.360 nan 8.380 nan 0.000 0.592 1094 Y N 0.274 120.583 120.300 0.014 0.000 2.335 1094 Y HA 0.386 4.936 4.550 -0.000 0.000 0.331 1094 Y C 1.522 177.261 175.900 -0.269 0.000 1.094 1094 Y CA -0.263 57.779 58.100 -0.096 0.000 1.253 1094 Y CB 0.746 39.084 38.460 -0.204 0.000 1.203 1094 Y HN 0.471 nan 8.280 nan 0.000 0.508 1095 G N 1.296 110.050 108.800 -0.077 0.000 2.614 1095 G HA2 0.223 4.183 3.960 -0.000 0.000 0.239 1095 G HA3 0.223 4.183 3.960 -0.000 0.000 0.239 1095 G C 0.929 175.704 174.900 -0.207 0.000 1.240 1095 G CA -0.269 44.628 45.100 -0.338 0.000 0.842 1095 G HN 0.700 nan 8.290 nan 0.000 0.584 1096 V N 1.006 120.762 119.914 -0.263 0.000 2.427 1096 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 1096 V C 2.842 178.870 176.094 -0.109 0.000 1.051 1096 V CA 1.288 63.495 62.300 -0.156 0.000 1.048 1096 V CB -1.148 30.597 31.823 -0.130 0.000 0.666 1096 V HN 0.425 nan 8.190 nan 0.000 0.456 1097 V N -0.188 119.668 119.914 -0.096 0.000 2.613 1097 V HA -0.333 3.787 4.120 -0.000 0.000 0.259 1097 V C 2.284 178.291 176.094 -0.146 0.000 1.099 1097 V CA 2.689 64.917 62.300 -0.120 0.000 1.115 1097 V CB -0.961 30.799 31.823 -0.106 0.000 0.686 1097 V HN 0.769 nan 8.190 nan 0.000 0.481 1098 Y N 0.642 120.816 120.300 -0.210 0.000 2.516 1098 Y HA -0.094 4.456 4.550 -0.000 0.000 0.291 1098 Y C 2.091 177.847 175.900 -0.241 0.000 1.131 1098 Y CA 1.016 58.998 58.100 -0.198 0.000 1.281 1098 Y CB 0.021 38.460 38.460 -0.036 0.000 1.013 1098 Y HN 0.397 nan 8.280 nan 0.000 0.554 1099 D N -0.587 119.665 120.400 -0.247 0.000 2.182 1099 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 1099 D C 2.039 177.849 176.300 -0.816 0.000 0.986 1099 D CA 1.630 55.367 54.000 -0.438 0.000 0.847 1099 D CB -0.145 40.441 40.800 -0.356 0.000 0.942 1099 D HN 0.325 nan 8.370 nan 0.000 0.467 1100 V N 0.224 119.712 119.914 -0.710 0.000 3.085 1100 V HA -0.054 4.066 4.120 -0.000 0.000 0.245 1100 V C 2.458 178.196 176.094 -0.594 0.000 1.114 1100 V CA 1.463 63.220 62.300 -0.905 0.000 1.108 1100 V CB -0.031 31.438 31.823 -0.590 0.000 0.798 1100 V HN 0.295 nan 8.190 nan 0.000 0.471 1101 T N -0.971 113.283 114.554 -0.500 0.000 3.043 1101 T HA -0.112 4.238 4.350 -0.000 0.000 0.263 1101 T C 2.063 176.523 174.700 -0.399 0.000 1.094 1101 T CA 1.303 63.183 62.100 -0.367 0.000 1.127 1101 T CB -0.300 68.336 68.868 -0.387 0.000 0.905 1101 T HN 0.547 nan 8.240 nan 0.000 0.490 1102 S N 0.652 115.846 115.700 -0.843 0.000 2.387 1102 S HA -0.216 4.254 4.470 -0.000 0.000 0.230 1102 S C 1.781 176.348 174.600 -0.054 0.000 1.035 1102 S CA 0.977 58.741 58.200 -0.726 0.000 1.014 1102 S CB -1.714 60.840 63.200 -1.078 0.000 0.836 1102 S HN 0.804 nan 8.310 nan 0.000 0.466 1103 W N 2.458 123.650 121.300 -0.180 0.000 2.258 1103 W HA -0.253 4.407 4.660 0.000 0.000 0.302 1103 W C 2.018 178.568 176.519 0.050 0.000 1.241 1103 W CA 1.063 58.393 57.345 -0.025 0.000 1.246 1103 W CB -0.546 28.895 29.460 -0.032 0.000 1.134 1103 W HN 0.645 nan 8.180 nan 0.000 0.531 1104 T N -4.497 110.173 114.554 0.194 0.000 3.231 1104 T HA 0.054 4.404 4.350 -0.000 0.000 0.292 1104 T C -0.534 174.217 174.700 0.085 0.000 1.001 1104 T CA -0.301 61.884 62.100 0.142 0.000 0.920 1104 T CB 0.028 68.953 68.868 0.095 0.000 1.140 1104 T HN -0.137 nan 8.240 nan 0.000 0.525 1105 D N 2.297 122.748 120.400 0.086 0.000 2.479 1105 D HA 0.356 4.996 4.640 -0.000 0.000 0.218 1105 D C 0.641 176.966 176.300 0.042 0.000 1.131 1105 D CA -0.621 53.443 54.000 0.108 0.000 0.916 1105 D CB 0.628 41.574 40.800 0.243 0.000 1.022 1105 D HN 0.254 nan 8.370 nan 0.000 0.515 1106 V N 1.404 121.304 119.914 -0.023 0.000 3.293 1106 V HA 0.286 4.406 4.120 -0.000 0.000 0.381 1106 V C 0.215 176.259 176.094 -0.082 0.000 1.465 1106 V CA -0.642 61.596 62.300 -0.104 0.000 1.331 1106 V CB -1.095 30.558 31.823 -0.282 0.000 1.160 1106 V HN 0.282 nan 8.190 nan 0.000 0.565 1107 L N 0.192 121.399 121.223 -0.026 0.000 2.466 1107 L HA 0.436 4.776 4.340 -0.000 0.000 0.257 1107 L C -0.910 175.911 176.870 -0.082 0.000 1.189 1107 L CA -1.507 53.328 54.840 -0.009 0.000 0.813 1107 L CB 0.267 42.375 42.059 0.082 0.000 1.118 1107 L HN 0.009 nan 8.230 nan 0.000 0.471 1108 P HA -0.174 nan 4.420 nan 0.000 0.219 1108 P C 0.660 177.687 177.300 -0.456 0.000 1.146 1108 P CA 1.269 64.244 63.100 -0.209 0.000 0.808 1108 P CB 0.380 32.044 31.700 -0.060 0.000 0.779 1109 E N -3.400 116.562 120.200 -0.396 0.000 3.297 1109 E HA 0.094 4.444 4.350 -0.000 0.000 0.232 1109 E C 0.688 176.979 176.600 -0.515 0.000 1.143 1109 E CA -0.041 56.010 56.400 -0.581 0.000 1.741 1109 E CB -0.497 28.765 29.700 -0.730 0.000 1.925 1109 E HN -0.162 nan 8.360 nan 0.000 0.924 1110 F N 1.590 121.537 119.950 -0.004 0.000 1.996 1110 F HA 0.514 5.041 4.527 -0.000 0.000 0.237 1110 F C 1.807 177.642 175.800 0.059 0.000 1.004 1110 F CA 0.839 58.840 58.000 0.003 0.000 1.200 1110 F CB -0.793 38.177 39.000 -0.051 0.000 1.887 1110 F HN 0.259 nan 8.300 nan 0.000 0.532 1111 G N -1.044 108.004 108.800 0.412 0.000 2.894 1111 G HA2 0.321 4.281 3.960 -0.000 0.000 0.247 1111 G HA3 0.321 4.281 3.960 -0.000 0.000 0.247 1111 G C 0.623 175.568 174.900 0.074 0.000 1.442 1111 G CA -0.113 45.126 45.100 0.231 0.000 0.897 1111 G HN 2.013 nan 8.290 nan 0.000 0.550 1112 G N -1.162 107.612 108.800 -0.044 0.000 2.147 1112 G HA2 0.101 4.061 3.960 -0.000 0.000 0.244 1112 G HA3 0.101 4.061 3.960 -0.000 0.000 0.244 1112 G C 0.382 174.862 174.900 -0.701 0.000 1.005 1112 G CA 1.278 46.231 45.100 -0.244 0.000 0.713 1112 G HN 2.403 nan 8.290 nan 0.000 0.515 1113 D N -0.720 119.392 120.400 -0.481 0.000 2.819 1113 D HA 0.211 4.851 4.640 -0.000 0.000 0.326 1113 D C 1.251 177.410 176.300 -0.236 0.000 1.408 1113 D CA 0.509 54.295 54.000 -0.356 0.000 0.811 1113 D CB -0.566 40.166 40.800 -0.115 0.000 1.148 1113 D HN 0.386 nan 8.370 nan 0.000 0.457 1114 T N -2.568 111.811 114.554 -0.292 0.000 3.122 1114 T HA 0.273 4.623 4.350 -0.000 0.000 0.250 1114 T C 0.236 175.018 174.700 0.135 0.000 1.067 1114 T CA 0.000 62.091 62.100 -0.016 0.000 0.966 1114 T CB -0.606 68.316 68.868 0.090 0.000 1.002 1114 T HN 0.338 nan 8.240 nan 0.000 0.542 1115 Y N -1.799 118.521 120.300 0.034 0.000 2.853 1115 Y HA 0.823 5.373 4.550 -0.000 0.000 0.326 1115 Y C 0.002 175.917 175.900 0.024 0.000 1.384 1115 Y CA -1.754 56.369 58.100 0.038 0.000 1.077 1115 Y CB 0.724 39.223 38.460 0.065 0.000 1.395 1115 Y HN 0.136 nan 8.280 nan 0.000 0.451 1116 G N -0.368 108.567 108.800 0.225 0.000 2.782 1116 G HA2 0.524 4.484 3.960 -0.000 0.000 0.304 1116 G HA3 0.524 4.484 3.960 -0.000 0.000 0.304 1116 G C -1.728 173.187 174.900 0.025 0.000 1.315 1116 G CA -1.139 43.988 45.100 0.045 0.000 0.791 1116 G HN 0.617 nan 8.290 nan 0.000 0.519 1117 S N 0.812 116.454 115.700 -0.097 0.000 2.537 1117 S HA 0.467 4.937 4.470 -0.000 0.000 0.275 1117 S C -0.671 173.816 174.600 -0.188 0.000 1.272 1117 S CA -0.167 57.938 58.200 -0.157 0.000 1.050 1117 S CB 0.900 63.964 63.200 -0.226 0.000 0.961 1117 S HN 0.585 nan 8.310 nan 0.000 0.496 1118 D N 2.012 122.292 120.400 -0.201 0.000 2.746 1118 D HA -0.151 4.489 4.640 -0.000 0.000 0.241 1118 D C -0.600 175.512 176.300 -0.312 0.000 1.140 1118 D CA 0.477 54.318 54.000 -0.264 0.000 0.707 1118 D CB -1.123 39.518 40.800 -0.265 0.000 1.034 1118 D HN 0.484 nan 8.370 nan 0.000 0.423 1119 N N 0.301 118.848 118.700 -0.254 0.000 2.723 1119 N HA 0.227 4.967 4.740 -0.000 0.000 0.290 1119 N C 0.412 175.864 175.510 -0.098 0.000 1.882 1119 N CA -0.439 52.468 53.050 -0.239 0.000 0.851 1119 N CB 0.060 38.539 38.487 -0.013 0.000 1.234 1119 N HN 0.093 nan 8.380 nan 0.000 0.491 1120 F N -0.231 119.703 119.950 -0.027 0.000 2.271 1120 F HA -0.427 4.100 4.527 -0.000 0.000 0.306 1120 F C 1.433 177.277 175.800 0.072 0.000 1.484 1120 F CA 1.627 59.625 58.000 -0.005 0.000 1.166 1120 F CB -0.901 38.103 39.000 0.007 0.000 3.762 1120 F HN 0.233 nan 8.300 nan 0.000 0.149 1121 M N -0.414 119.409 119.600 0.373 0.000 2.412 1121 M HA 0.183 4.663 4.480 -0.000 0.000 0.315 1121 M C 1.265 177.673 176.300 0.179 0.000 1.092 1121 M CA 0.146 55.662 55.300 0.359 0.000 0.974 1121 M CB 0.625 33.383 32.600 0.263 0.000 1.437 1121 M HN 0.463 nan 8.290 nan 0.000 0.524 1122 Q N 1.180 121.073 119.800 0.155 0.000 2.061 1122 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 1122 Q C 0.994 177.005 176.000 0.018 0.000 0.984 1122 Q CA 1.462 57.295 55.803 0.051 0.000 0.846 1122 Q CB 0.394 29.191 28.738 0.098 0.000 0.902 1122 Q HN 0.369 nan 8.270 nan 0.000 0.421 1123 Q N -0.690 119.153 119.800 0.072 0.000 2.435 1123 Q HA 0.225 4.565 4.340 -0.000 0.000 0.282 1123 Q C -1.400 174.566 176.000 -0.057 0.000 1.020 1123 Q CA -0.596 55.199 55.803 -0.013 0.000 0.820 1123 Q CB 1.665 30.492 28.738 0.149 0.000 1.436 1123 Q HN 0.189 nan 8.270 nan 0.000 0.395 1124 R N -0.047 120.294 120.500 -0.264 0.000 3.713 1124 R HA -0.095 4.245 4.340 -0.000 0.000 0.084 1124 R C -0.323 175.892 176.300 -0.142 0.000 0.925 1124 R CA 1.897 57.823 56.100 -0.290 0.000 0.739 1124 R CB -0.478 29.513 30.300 -0.515 0.000 1.586 1124 R HN 0.873 nan 8.270 nan 0.000 0.160 1125 G N 2.317 111.036 108.800 -0.135 0.000 2.368 1125 G HA2 0.245 4.205 3.960 -0.000 0.000 0.293 1125 G HA3 0.245 4.205 3.960 -0.000 0.000 0.293 1125 G C -1.629 173.013 174.900 -0.430 0.000 1.467 1125 G CA -0.943 43.966 45.100 -0.318 0.000 0.804 1125 G HN 0.608 nan 8.290 nan 0.000 0.535 1126 N N -0.734 117.714 118.700 -0.421 0.000 2.489 1126 N HA 0.532 5.272 4.740 -0.000 0.000 0.284 1126 N C 0.854 176.121 175.510 -0.405 0.000 1.158 1126 N CA 0.505 53.370 53.050 -0.309 0.000 0.965 1126 N CB 1.530 39.916 38.487 -0.168 0.000 1.195 1126 N HN 1.751 nan 8.380 nan 0.000 0.506 1127 G N 0.169 108.828 108.800 -0.233 0.000 2.225 1127 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.264 1127 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.264 1127 G C -0.618 174.347 174.900 0.108 0.000 1.060 1127 G CA -0.376 44.705 45.100 -0.032 0.000 0.833 1127 G HN 0.442 nan 8.290 nan 0.000 0.498 1128 F N 0.608 120.547 119.950 -0.018 0.000 2.410 1128 F HA 0.587 5.114 4.527 -0.000 0.000 0.349 1128 F C 0.733 176.615 175.800 0.136 0.000 1.117 1128 F CA -0.479 57.553 58.000 0.053 0.000 1.104 1128 F CB 1.817 40.786 39.000 -0.053 0.000 1.122 1128 F HN 0.320 nan 8.300 nan 0.000 0.483 1129 A N 3.090 126.214 122.820 0.507 0.000 2.273 1129 A HA 0.671 4.991 4.320 -0.000 0.000 0.315 1129 A C -0.585 177.143 177.584 0.240 0.000 1.256 1129 A CA -0.478 51.785 52.037 0.377 0.000 0.851 1129 A CB 0.533 19.870 19.000 0.562 0.000 1.172 1129 A HN 0.664 nan 8.150 nan 0.000 0.508 1130 T N 1.632 116.196 114.554 0.016 0.000 2.807 1130 T HA 0.484 4.834 4.350 -0.000 0.000 0.279 1130 T C -1.040 173.782 174.700 0.202 0.000 0.993 1130 T CA -0.190 61.939 62.100 0.048 0.000 0.970 1130 T CB 0.990 69.773 68.868 -0.142 0.000 0.950 1130 T HN 0.508 nan 8.240 nan 0.000 0.441 1131 Y N 3.273 123.640 120.300 0.112 0.000 2.335 1131 Y HA 0.595 5.145 4.550 -0.000 0.000 0.338 1131 Y C -0.247 175.616 175.900 -0.062 0.000 0.977 1131 Y CA -1.029 57.138 58.100 0.111 0.000 1.114 1131 Y CB 0.894 39.452 38.460 0.164 0.000 1.182 1131 Y HN 0.557 nan 8.280 nan 0.000 0.463 1132 R N 4.475 124.492 120.500 -0.805 0.000 2.628 1132 R HA 0.396 4.736 4.340 -0.000 0.000 0.288 1132 R C -1.672 174.019 176.300 -1.015 0.000 0.980 1132 R CA -1.199 54.434 56.100 -0.777 0.000 0.891 1132 R CB 1.739 31.782 30.300 -0.428 0.000 1.188 1132 R HN 0.643 nan 8.270 nan 0.000 0.450 1133 N N 0.165 118.286 118.700 -0.966 0.000 2.258 1133 N HA 0.221 4.961 4.740 -0.000 0.000 0.299 1133 N C -0.275 174.963 175.510 -0.453 0.000 1.047 1133 N CA -0.341 52.232 53.050 -0.796 0.000 0.814 1133 N CB 2.358 40.205 38.487 -1.067 0.000 1.413 1133 N HN 0.436 nan 8.380 nan 0.000 0.478 1134 T N 1.034 115.409 114.554 -0.298 0.000 2.837 1134 T HA 0.117 4.467 4.350 -0.000 0.000 0.248 1134 T C -0.780 173.913 174.700 -0.012 0.000 1.033 1134 T CA 1.096 63.116 62.100 -0.133 0.000 1.150 1134 T CB -0.183 68.624 68.868 -0.103 0.000 0.865 1134 T HN 0.661 nan 8.240 nan 0.000 0.425 1135 D N 0.707 121.110 120.400 0.005 0.000 2.412 1135 D HA 0.290 4.930 4.640 -0.000 0.000 0.276 1135 D C -0.799 175.624 176.300 0.206 0.000 1.196 1135 D CA -0.504 53.574 54.000 0.130 0.000 0.905 1135 D CB -0.026 40.851 40.800 0.129 0.000 1.081 1135 D HN 0.134 nan 8.370 nan 0.000 0.502 1136 F N 2.673 122.644 119.950 0.035 0.000 2.317 1136 F HA -0.336 4.191 4.527 -0.000 0.000 0.143 1136 F C -0.205 175.703 175.800 0.180 0.000 1.075 1136 F CA 0.448 58.478 58.000 0.049 0.000 0.767 1136 F CB -1.312 37.802 39.000 0.191 0.000 0.612 1136 F HN 0.454 nan 8.300 nan 0.000 0.807 1137 F N 0.073 120.064 119.950 0.069 0.000 3.018 1137 F HA -0.195 4.332 4.527 -0.000 0.000 0.287 1137 F C 1.522 177.347 175.800 0.043 0.000 0.813 1137 F CA 0.858 58.857 58.000 -0.002 0.000 1.209 1137 F CB -1.624 37.304 39.000 -0.120 0.000 1.321 1137 F HN 0.843 nan 8.300 nan 0.000 0.477 1138 G N -0.192 108.701 108.800 0.156 0.000 2.195 1138 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.246 1138 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.246 1138 G C 0.172 175.160 174.900 0.148 0.000 0.984 1138 G CA 0.092 45.271 45.100 0.132 0.000 0.633 1138 G HN 1.217 nan 8.290 nan 0.000 0.525 1139 L N -0.796 120.543 121.223 0.194 0.000 2.935 1139 L HA 0.813 5.153 4.340 -0.000 0.000 0.243 1139 L C -0.094 176.917 176.870 0.236 0.000 1.313 1139 L CA -0.376 54.578 54.840 0.191 0.000 0.969 1139 L CB -0.107 42.057 42.059 0.176 0.000 1.320 1139 L HN 1.404 nan 8.230 nan 0.000 0.511 1140 V N 0.511 120.552 119.914 0.211 0.000 2.287 1140 V HA 0.169 4.289 4.120 -0.000 0.000 0.281 1140 V C -2.277 173.957 176.094 0.234 0.000 1.767 1140 V CA -0.320 62.102 62.300 0.204 0.000 0.736 1140 V CB 0.978 32.922 31.823 0.203 0.000 1.269 1140 V HN 0.734 nan 8.190 nan 0.000 0.425 1141 D N 4.418 124.968 120.400 0.249 0.000 2.593 1141 D HA 0.752 5.392 4.640 -0.000 0.000 0.251 1141 D C 0.699 177.169 176.300 0.284 0.000 1.140 1141 D CA 1.294 55.431 54.000 0.227 0.000 0.855 1141 D CB 1.710 42.614 40.800 0.173 0.000 1.267 1141 D HN 2.037 nan 8.370 nan 0.000 0.532 1142 G N 2.644 111.573 108.800 0.215 0.000 2.147 1142 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 1142 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 1142 G C -0.284 174.810 174.900 0.325 0.000 1.005 1142 G CA 0.080 45.278 45.100 0.163 0.000 0.713 1142 G HN 0.472 nan 8.290 nan 0.000 0.515 1143 L N 1.902 123.389 121.223 0.439 0.000 2.287 1143 L HA 0.705 5.045 4.340 -0.000 0.000 0.287 1143 L C 0.155 177.214 176.870 0.316 0.000 1.022 1143 L CA -0.765 54.334 54.840 0.430 0.000 0.814 1143 L CB 0.748 42.955 42.059 0.248 0.000 1.217 1143 L HN 0.474 nan 8.230 nan 0.000 0.420 1144 N N 3.151 122.029 118.700 0.295 0.000 2.732 1144 N HA 0.651 5.391 4.740 -0.000 0.000 0.259 1144 N C -1.405 174.316 175.510 0.353 0.000 1.402 1144 N CA -0.735 52.498 53.050 0.306 0.000 0.829 1144 N CB 2.187 40.739 38.487 0.110 0.000 1.495 1144 N HN 0.351 nan 8.380 nan 0.000 0.511 1145 F N -2.520 117.454 119.950 0.040 0.000 2.711 1145 F HA 0.922 5.449 4.527 -0.000 0.000 0.313 1145 F C -2.027 173.798 175.800 0.042 0.000 1.141 1145 F CA -0.955 57.075 58.000 0.049 0.000 0.941 1145 F CB 1.306 40.375 39.000 0.114 0.000 1.349 1145 F HN 0.826 nan 8.300 nan 0.000 0.464 1146 A N 1.363 124.194 122.820 0.019 0.000 2.574 1146 A HA 0.785 5.105 4.320 -0.000 0.000 0.297 1146 A C -2.286 175.388 177.584 0.150 0.000 1.062 1146 A CA -0.610 51.389 52.037 -0.063 0.000 0.686 1146 A CB 1.595 20.543 19.000 -0.087 0.000 1.285 1146 A HN 1.689 nan 8.150 nan 0.000 0.403 1147 V N 1.645 121.675 119.914 0.194 0.000 3.007 1147 V HA 0.891 5.011 4.120 -0.000 0.000 0.311 1147 V C -1.197 175.005 176.094 0.179 0.000 1.120 1147 V CA -0.072 62.357 62.300 0.214 0.000 0.980 1147 V CB 2.155 34.154 31.823 0.294 0.000 1.033 1147 V HN 1.436 nan 8.190 nan 0.000 0.429 1148 Q N 4.072 123.963 119.800 0.151 0.000 2.522 1148 Q HA 0.566 4.906 4.340 -0.000 0.000 0.285 1148 Q C -2.318 173.833 176.000 0.252 0.000 0.982 1148 Q CA -0.838 55.068 55.803 0.172 0.000 0.805 1148 Q CB 2.249 30.985 28.738 -0.004 0.000 1.457 1148 Q HN 0.817 nan 8.270 nan 0.000 0.394 1149 Y N 1.336 121.753 120.300 0.196 0.000 2.386 1149 Y HA 0.381 4.931 4.550 -0.000 0.000 0.334 1149 Y C -1.791 174.295 175.900 0.310 0.000 1.002 1149 Y CA -0.376 57.854 58.100 0.216 0.000 1.068 1149 Y CB 2.191 40.768 38.460 0.195 0.000 1.203 1149 Y HN 0.819 nan 8.280 nan 0.000 0.443 1150 Q N 4.555 124.410 119.800 0.091 0.000 2.333 1150 Q HA 0.713 5.053 4.340 -0.000 0.000 0.267 1150 Q C -0.204 175.653 176.000 -0.239 0.000 1.012 1150 Q CA -1.154 54.714 55.803 0.109 0.000 0.824 1150 Q CB 2.111 30.892 28.738 0.071 0.000 1.290 1150 Q HN 0.945 nan 8.270 nan 0.000 0.449 1151 G N 2.252 111.068 108.800 0.028 0.000 2.491 1151 G HA2 0.022 3.982 3.960 -0.000 0.000 0.238 1151 G HA3 0.022 3.982 3.960 -0.000 0.000 0.238 1151 G C -0.448 174.438 174.900 -0.023 0.000 1.277 1151 G CA -0.556 44.572 45.100 0.047 0.000 0.851 1151 G HN 0.766 nan 8.290 nan 0.000 0.573 1152 K N 1.165 121.560 120.400 -0.009 0.000 2.543 1152 K HA -0.071 4.249 4.320 -0.000 0.000 0.279 1152 K C -0.477 176.112 176.600 -0.017 0.000 1.001 1152 K CA 0.443 56.726 56.287 -0.008 0.000 1.088 1152 K CB 0.056 32.569 32.500 0.022 0.000 0.863 1152 K HN 0.561 nan 8.250 nan 0.000 0.488 1153 N N 3.802 122.471 118.700 -0.052 0.000 2.573 1153 N HA 0.168 4.908 4.740 -0.000 0.000 0.262 1153 N C -0.094 175.369 175.510 -0.078 0.000 1.029 1153 N CA -0.497 52.512 53.050 -0.068 0.000 0.882 1153 N CB 1.923 40.347 38.487 -0.106 0.000 1.204 1153 N HN 0.745 nan 8.380 nan 0.000 0.519 1154 G N 1.454 110.220 108.800 -0.055 0.000 3.411 1154 G HA2 0.121 4.081 3.960 -0.000 0.000 0.186 1154 G HA3 0.121 4.081 3.960 -0.000 0.000 0.186 1154 G C 0.193 175.036 174.900 -0.094 0.000 1.766 1154 G CA -0.083 44.986 45.100 -0.051 0.000 0.971 1154 G HN 0.341 nan 8.290 nan 0.000 0.590 1155 N N 0.870 119.510 118.700 -0.100 0.000 2.487 1155 N HA 0.327 5.067 4.740 -0.000 0.000 0.292 1155 N C -1.872 173.425 175.510 -0.355 0.000 1.108 1155 N CA -1.635 51.315 53.050 -0.167 0.000 0.956 1155 N CB 1.973 40.396 38.487 -0.108 0.000 1.176 1155 N HN -0.092 nan 8.380 nan 0.000 0.484 1156 P HA -0.047 nan 4.420 nan 0.000 0.219 1156 P C 0.666 176.959 177.300 -1.678 0.000 1.146 1156 P CA 1.193 63.811 63.100 -0.802 0.000 0.808 1156 P CB 0.486 31.883 31.700 -0.504 0.000 0.779 1157 S N -1.080 114.255 115.700 -0.610 0.000 2.163 1157 S HA 0.245 4.715 4.470 -0.000 0.000 0.151 1157 S C 1.631 176.587 174.600 0.593 0.000 1.382 1157 S CA 1.131 59.418 58.200 0.145 0.000 2.383 1157 S CB -0.969 62.273 63.200 0.069 0.000 0.325 1157 S HN 0.239 nan 8.310 nan 0.000 0.349 1158 G N -0.092 108.879 108.800 0.285 0.000 4.750 1158 G HA2 0.405 4.365 3.960 -0.000 0.000 0.266 1158 G HA3 0.405 4.365 3.960 -0.000 0.000 0.266 1158 G C -0.774 174.191 174.900 0.110 0.000 1.000 1158 G CA -0.046 45.159 45.100 0.175 0.000 0.776 1158 G HN 0.358 nan 8.290 nan 0.000 0.357 1159 E N -0.358 119.913 120.200 0.119 0.000 2.642 1159 E HA 0.439 4.789 4.350 -0.000 0.000 0.374 1159 E C 0.468 177.118 176.600 0.083 0.000 0.961 1159 E CA -0.008 56.442 56.400 0.083 0.000 0.748 1159 E CB 0.235 29.971 29.700 0.059 0.000 1.516 1159 E HN 1.118 nan 8.360 nan 0.000 0.388 1160 G N 3.518 112.371 108.800 0.089 0.000 2.141 1160 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.242 1160 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.242 1160 G C 0.288 175.255 174.900 0.112 0.000 0.982 1160 G CA -0.171 44.979 45.100 0.082 0.000 0.662 1160 G HN 0.493 nan 8.290 nan 0.000 0.527 1161 F N 2.063 122.020 119.950 0.011 0.000 2.670 1161 F HA 0.314 4.841 4.527 0.000 0.000 0.325 1161 F C 1.470 177.276 175.800 0.010 0.000 1.125 1161 F CA 2.017 60.022 58.000 0.008 0.000 1.345 1161 F CB 0.625 39.630 39.000 0.009 0.000 1.019 1161 F HN 0.389 nan 8.300 nan 0.000 0.640 1162 T N 0.743 115.361 114.554 0.107 0.000 2.912 1162 T HA 0.354 4.704 4.350 -0.000 0.000 0.299 1162 T C 0.491 175.276 174.700 0.142 0.000 1.052 1162 T CA -0.312 61.855 62.100 0.112 0.000 0.996 1162 T CB 1.444 70.342 68.868 0.050 0.000 1.070 1162 T HN 0.829 nan 8.240 nan 0.000 0.465 1163 S N 2.481 118.284 115.700 0.172 0.000 2.180 1163 S HA -0.153 4.317 4.470 -0.000 0.000 0.422 1163 S C 1.146 175.805 174.600 0.098 0.000 1.021 1163 S CA 1.789 60.082 58.200 0.155 0.000 2.417 1163 S CB -1.431 61.831 63.200 0.104 0.000 1.807 1163 S HN 1.693 nan 8.310 nan 0.000 0.507 1164 G N 1.090 109.920 108.800 0.049 0.000 2.547 1164 G HA2 0.599 4.559 3.960 -0.000 0.000 0.327 1164 G HA3 0.599 4.559 3.960 -0.000 0.000 0.327 1164 G C -0.913 173.966 174.900 -0.035 0.000 1.118 1164 G CA 0.024 45.130 45.100 0.010 0.000 1.022 1164 G HN 0.900 nan 8.290 nan 0.000 0.464 1165 V N 0.253 120.113 119.914 -0.091 0.000 3.156 1165 V HA 0.908 5.028 4.120 -0.000 0.000 0.306 1165 V C -0.236 175.744 176.094 -0.190 0.000 1.468 1165 V CA -0.753 61.458 62.300 -0.148 0.000 1.047 1165 V CB 1.420 33.121 31.823 -0.204 0.000 1.078 1165 V HN 0.861 nan 8.190 nan 0.000 0.468 1166 T N -0.051 114.387 114.554 -0.193 0.000 2.802 1166 T HA 0.417 4.767 4.350 -0.000 0.000 0.311 1166 T C -1.243 173.362 174.700 -0.158 0.000 1.405 1166 T CA -0.387 61.613 62.100 -0.167 0.000 1.016 1166 T CB 1.927 70.701 68.868 -0.156 0.000 1.352 1166 T HN 1.154 nan 8.240 nan 0.000 0.498 1167 N N 1.787 120.401 118.700 -0.144 0.000 2.452 1167 N HA 0.294 5.034 4.740 -0.000 0.000 0.296 1167 N C 0.255 175.682 175.510 -0.139 0.000 1.304 1167 N CA -0.478 52.497 53.050 -0.126 0.000 0.956 1167 N CB 0.239 38.657 38.487 -0.116 0.000 1.106 1167 N HN 0.833 nan 8.380 nan 0.000 0.555 1168 N N -2.696 115.923 118.700 -0.135 0.000 2.067 1168 N HA 0.058 4.798 4.740 -0.000 0.000 0.227 1168 N C 1.472 176.878 175.510 -0.174 0.000 1.348 1168 N CA 0.238 53.199 53.050 -0.148 0.000 0.879 1168 N CB -0.278 38.149 38.487 -0.100 0.000 1.109 1168 N HN 0.629 nan 8.380 nan 0.000 0.501 1169 G N 2.284 110.982 108.800 -0.170 0.000 2.661 1169 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.224 1169 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.224 1169 G C 1.480 176.233 174.900 -0.246 0.000 1.114 1169 G CA 0.862 45.850 45.100 -0.187 0.000 0.751 1169 G HN 0.403 nan 8.290 nan 0.000 0.609 1170 R N 0.433 120.789 120.500 -0.241 0.000 2.432 1170 R HA 0.198 4.538 4.340 -0.000 0.000 0.260 1170 R C -0.382 175.730 176.300 -0.313 0.000 0.935 1170 R CA -0.162 55.764 56.100 -0.291 0.000 1.080 1170 R CB 0.353 30.505 30.300 -0.247 0.000 1.155 1170 R HN 0.299 nan 8.270 nan 0.000 0.531 1182 G N -0.781 108.036 108.800 0.028 0.000 2.684 1182 G HA2 0.993 4.953 3.960 -0.000 0.000 0.290 1182 G HA3 0.993 4.953 3.960 -0.000 0.000 0.290 1182 G C -0.606 174.316 174.900 0.036 0.000 1.425 1182 G CA 0.310 45.448 45.100 0.064 0.000 0.822 1182 G HN 1.898 nan 8.290 nan 0.000 0.482 1183 S N -0.716 115.029 115.700 0.075 0.000 2.550 1183 S HA 0.756 5.226 4.470 -0.000 0.000 0.270 1183 S C -0.969 173.707 174.600 0.126 0.000 1.145 1183 S CA -0.831 57.392 58.200 0.038 0.000 0.852 1183 S CB 2.021 65.184 63.200 -0.062 0.000 1.119 1183 S HN 1.834 nan 8.310 nan 0.000 0.465 1184 I N -0.606 120.027 120.570 0.106 0.000 2.647 1184 I HA 0.922 5.092 4.170 -0.000 0.000 0.295 1184 I C -0.810 175.388 176.117 0.134 0.000 1.078 1184 I CA -0.642 60.757 61.300 0.166 0.000 1.048 1184 I CB 1.042 39.108 38.000 0.111 0.000 1.239 1184 I HN 1.086 nan 8.210 nan 0.000 0.421 1185 T N 2.565 117.237 114.554 0.196 0.000 2.982 1185 T HA 0.603 4.953 4.350 -0.000 0.000 0.321 1185 T C -1.679 173.251 174.700 0.383 0.000 1.229 1185 T CA -0.505 61.749 62.100 0.258 0.000 1.044 1185 T CB 1.745 70.747 68.868 0.224 0.000 1.184 1185 T HN 0.743 nan 8.240 nan 0.000 0.477 1186 Y N 1.003 121.469 120.300 0.277 0.000 2.468 1186 Y HA 0.584 5.134 4.550 -0.000 0.000 0.342 1186 Y C 0.315 176.408 175.900 0.321 0.000 1.021 1186 Y CA -0.913 57.351 58.100 0.274 0.000 1.079 1186 Y CB 2.428 41.016 38.460 0.213 0.000 1.226 1186 Y HN 0.859 nan 8.280 nan 0.000 0.460 1187 D N 1.920 121.734 120.400 -0.976 0.000 2.414 1187 D HA -0.061 4.579 4.640 -0.000 0.000 0.237 1187 D C -0.373 175.671 176.300 -0.428 0.000 0.975 1187 D CA 1.141 54.762 54.000 -0.632 0.000 0.917 1187 D CB -0.189 40.431 40.800 -0.301 0.000 1.061 1187 D HN 0.500 nan 8.370 nan 0.000 0.480 1188 Y N 1.909 121.907 120.300 -0.504 0.000 3.063 1188 Y HA -0.237 4.313 4.550 -0.000 0.000 0.222 1188 Y C -0.655 175.263 175.900 0.031 0.000 1.071 1188 Y CA -0.590 57.446 58.100 -0.105 0.000 0.749 1188 Y CB -2.522 35.942 38.460 0.007 0.000 1.094 1188 Y HN -0.037 nan 8.280 nan 0.000 0.397 1189 E N 0.839 120.979 120.200 -0.099 0.000 1.023 1189 E HA -0.013 4.337 4.350 -0.000 0.000 0.325 1189 E C 1.038 177.506 176.600 -0.220 0.000 1.202 1189 E CA 2.210 58.529 56.400 -0.135 0.000 1.194 1189 E CB -1.093 28.576 29.700 -0.051 0.000 0.609 1189 E HN 1.850 nan 8.360 nan 0.000 0.338 1190 G N 1.845 110.378 108.800 -0.444 0.000 2.801 1190 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.686 1190 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.686 1190 G C -0.330 174.154 174.900 -0.694 0.000 1.507 1190 G CA -0.285 44.326 45.100 -0.816 0.000 0.980 1190 G HN 0.920 nan 8.290 nan 0.000 0.589 1191 F N -2.896 116.707 119.950 -0.579 0.000 2.152 1191 F HA 0.189 4.716 4.527 -0.000 0.000 0.518 1191 F C 0.921 176.378 175.800 -0.573 0.000 1.286 1191 F CA 0.920 58.609 58.000 -0.518 0.000 1.663 1191 F CB -1.080 37.469 39.000 -0.752 0.000 2.663 1191 F HN 1.693 nan 8.300 nan 0.000 0.723 1192 G N 3.445 112.089 108.800 -0.260 0.000 2.591 1192 G HA2 0.806 4.766 3.960 -0.000 0.000 0.306 1192 G HA3 0.806 4.766 3.960 -0.000 0.000 0.306 1192 G C -1.023 173.972 174.900 0.159 0.000 1.334 1192 G CA -0.976 44.037 45.100 -0.144 0.000 0.981 1192 G HN 0.523 nan 8.290 nan 0.000 0.491 1193 I N 0.077 120.865 120.570 0.362 0.000 2.982 1193 I HA 0.910 5.080 4.170 -0.000 0.000 0.312 1193 I C 0.600 177.008 176.117 0.485 0.000 1.041 1193 I CA -1.290 60.252 61.300 0.403 0.000 1.053 1193 I CB 1.336 39.543 38.000 0.346 0.000 1.248 1193 I HN 0.794 nan 8.210 nan 0.000 0.471 1194 G N 0.410 109.420 108.800 0.350 0.000 2.476 1194 G HA2 0.540 4.500 3.960 -0.000 0.000 0.309 1194 G HA3 0.540 4.500 3.960 -0.000 0.000 0.309 1194 G C -1.005 173.957 174.900 0.103 0.000 1.575 1194 G CA -0.459 44.753 45.100 0.187 0.000 0.913 1194 G HN 0.940 nan 8.290 nan 0.000 0.623 1195 G N -0.596 108.246 108.800 0.070 0.000 2.410 1195 G HA2 0.964 4.924 3.960 -0.000 0.000 0.330 1195 G HA3 0.964 4.924 3.960 -0.000 0.000 0.330 1195 G C -0.268 174.625 174.900 -0.012 0.000 1.142 1195 G CA 0.092 45.220 45.100 0.047 0.000 0.902 1195 G HN 1.736 nan 8.290 nan 0.000 0.491 1196 A N 0.484 123.287 122.820 -0.028 0.000 2.455 1196 A HA 0.728 5.048 4.320 -0.000 0.000 0.300 1196 A C -1.274 176.271 177.584 -0.064 0.000 1.040 1196 A CA -0.489 51.514 52.037 -0.056 0.000 0.697 1196 A CB 1.362 20.296 19.000 -0.110 0.000 1.265 1196 A HN 0.598 nan 8.150 nan 0.000 0.407 1197 I N 1.235 121.758 120.570 -0.079 0.000 2.603 1197 I HA 0.778 4.948 4.170 -0.000 0.000 0.300 1197 I C 0.429 176.437 176.117 -0.183 0.000 1.017 1197 I CA -0.515 60.675 61.300 -0.183 0.000 1.098 1197 I CB 2.001 39.928 38.000 -0.121 0.000 1.279 1197 I HN 0.771 nan 8.210 nan 0.000 0.437 1198 S N 2.200 117.734 115.700 -0.277 0.000 2.570 1198 S HA 0.894 5.364 4.470 -0.000 0.000 0.270 1198 S C -0.943 173.553 174.600 -0.174 0.000 1.149 1198 S CA -0.724 57.385 58.200 -0.152 0.000 0.837 1198 S CB 1.823 64.964 63.200 -0.099 0.000 1.124 1198 S HN 0.742 nan 8.310 nan 0.000 0.465 1199 S N 0.481 116.124 115.700 -0.095 0.000 2.592 1199 S HA 0.743 5.213 4.470 -0.000 0.000 0.275 1199 S C -1.630 172.923 174.600 -0.079 0.000 1.169 1199 S CA -0.461 57.677 58.200 -0.104 0.000 0.958 1199 S CB 1.111 64.267 63.200 -0.073 0.000 1.095 1199 S HN 1.089 nan 8.310 nan 0.000 0.471 1200 S N 3.248 118.870 115.700 -0.129 0.000 2.547 1200 S HA 0.526 4.996 4.470 -0.000 0.000 0.281 1200 S C -0.832 173.725 174.600 -0.071 0.000 1.118 1200 S CA -0.998 57.163 58.200 -0.064 0.000 0.947 1200 S CB 1.689 64.920 63.200 0.052 0.000 1.053 1200 S HN 0.751 nan 8.310 nan 0.000 0.482 1201 K N 1.893 122.283 120.400 -0.016 0.000 2.355 1201 K HA 0.167 4.487 4.320 -0.000 0.000 0.270 1201 K C -0.379 176.246 176.600 0.041 0.000 1.003 1201 K CA 0.046 56.332 56.287 -0.001 0.000 0.957 1201 K CB 0.419 32.927 32.500 0.013 0.000 0.939 1201 K HN 0.557 nan 8.250 nan 0.000 0.482 1202 R N 2.539 123.065 120.500 0.043 0.000 2.338 1202 R HA 0.196 4.536 4.340 -0.000 0.000 0.317 1202 R C -0.281 176.081 176.300 0.104 0.000 0.968 1202 R CA -0.753 55.424 56.100 0.129 0.000 0.849 1202 R CB 0.938 31.301 30.300 0.106 0.000 1.128 1202 R HN 0.843 nan 8.270 nan 0.000 0.448 1203 T N -0.864 113.754 114.554 0.106 0.000 2.906 1203 T HA -0.043 4.307 4.350 -0.000 0.000 0.320 1203 T C 0.675 175.408 174.700 0.055 0.000 1.088 1203 T CA -0.420 61.718 62.100 0.063 0.000 1.120 1203 T CB 0.533 69.427 68.868 0.042 0.000 1.000 1203 T HN 0.439 nan 8.240 nan 0.000 0.550 1204 D N 1.660 122.086 120.400 0.044 0.000 2.228 1204 D HA -0.082 4.558 4.640 -0.000 0.000 0.203 1204 D C 2.260 178.583 176.300 0.039 0.000 0.988 1204 D CA 1.646 55.670 54.000 0.041 0.000 0.864 1204 D CB -0.745 40.077 40.800 0.037 0.000 0.928 1204 D HN 0.774 nan 8.370 nan 0.000 0.469 1205 A N 1.143 123.981 122.820 0.031 0.000 1.877 1205 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 1205 A C 2.027 179.628 177.584 0.029 0.000 1.186 1205 A CA 1.696 53.746 52.037 0.022 0.000 0.620 1205 A CB -0.673 18.327 19.000 0.001 0.000 0.822 1205 A HN 0.405 nan 8.150 nan 0.000 0.443 1206 Q N -0.672 119.153 119.800 0.040 0.000 2.472 1206 Q HA 0.032 4.372 4.340 -0.000 0.000 0.208 1206 Q C -0.197 175.844 176.000 0.068 0.000 0.958 1206 Q CA 0.482 56.317 55.803 0.054 0.000 0.932 1206 Q CB -0.266 28.526 28.738 0.090 0.000 1.007 1206 Q HN 0.416 nan 8.270 nan 0.000 0.508 1207 N N 2.014 120.751 118.700 0.062 0.000 3.301 1207 N HA 0.061 4.801 4.740 -0.000 0.000 0.289 1207 N C -0.787 174.758 175.510 0.057 0.000 1.343 1207 N CA 0.293 53.380 53.050 0.062 0.000 1.136 1207 N CB 1.148 39.669 38.487 0.056 0.000 1.402 1207 N HN 0.299 nan 8.380 nan 0.000 0.516 1208 T N -2.740 111.852 114.554 0.064 0.000 4.076 1208 T HA 0.370 4.720 4.350 -0.000 0.000 0.222 1208 T C 0.659 175.404 174.700 0.074 0.000 1.008 1208 T CA 0.082 62.218 62.100 0.061 0.000 1.486 1208 T CB -0.097 68.804 68.868 0.054 0.000 0.828 1208 T HN 0.185 nan 8.240 nan 0.000 0.625 1209 A N 0.128 122.995 122.820 0.079 0.000 3.292 1209 A HA -0.013 4.307 4.320 -0.000 0.000 0.273 1209 A C 1.130 178.776 177.584 0.104 0.000 1.153 1209 A CA 1.405 53.490 52.037 0.081 0.000 0.998 1209 A CB -2.167 16.866 19.000 0.055 0.000 0.977 1209 A HN 2.141 nan 8.150 nan 0.000 0.707 1210 A N -0.648 122.251 122.820 0.133 0.000 2.327 1210 A HA 0.582 4.902 4.320 -0.000 0.000 0.283 1210 A C 1.124 178.902 177.584 0.322 0.000 1.127 1210 A CA 0.127 52.301 52.037 0.228 0.000 0.810 1210 A CB 0.028 19.150 19.000 0.202 0.000 1.066 1210 A HN 1.354 nan 8.150 nan 0.000 0.492 1211 Y N 1.175 121.503 120.300 0.046 0.000 2.212 1211 Y HA -0.344 4.206 4.550 -0.000 0.000 0.188 1211 Y C 0.716 176.671 175.900 0.092 0.000 1.270 1211 Y CA 1.664 59.807 58.100 0.071 0.000 0.872 1211 Y CB -2.242 36.262 38.460 0.073 0.000 0.674 1211 Y HN 0.876 nan 8.280 nan 0.000 0.578 1212 I N -3.893 116.793 120.570 0.193 0.000 2.752 1212 I HA 0.678 4.848 4.170 -0.000 0.000 0.290 1212 I C -0.201 175.988 176.117 0.121 0.000 1.507 1212 I CA -0.701 60.697 61.300 0.163 0.000 1.038 1212 I CB 2.095 40.218 38.000 0.204 0.000 1.390 1212 I HN 0.743 nan 8.210 nan 0.000 0.435 1213 G N 2.129 110.996 108.800 0.111 0.000 2.781 1213 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.468 1213 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.468 1213 G C -0.741 174.208 174.900 0.081 0.000 1.186 1213 G CA -0.381 44.776 45.100 0.094 0.000 1.220 1213 G HN 1.090 nan 8.290 nan 0.000 0.564 1214 N N 1.058 119.803 118.700 0.075 0.000 2.670 1214 N HA 0.408 5.148 4.740 -0.000 0.000 0.296 1214 N C 1.179 176.723 175.510 0.056 0.000 1.216 1214 N CA 0.648 53.735 53.050 0.061 0.000 1.123 1214 N CB 0.259 38.779 38.487 0.054 0.000 1.459 1214 N HN 1.570 nan 8.380 nan 0.000 0.509 1215 G N 1.713 110.547 108.800 0.057 0.000 2.865 1215 G HA2 0.074 4.034 3.960 -0.000 0.000 0.292 1215 G HA3 0.074 4.034 3.960 -0.000 0.000 0.292 1215 G C 0.626 175.542 174.900 0.026 0.000 0.800 1215 G CA -0.452 44.675 45.100 0.046 0.000 1.838 1215 G HN 0.615 nan 8.290 nan 0.000 0.535 1216 D N 2.428 122.838 120.400 0.016 0.000 2.092 1216 D HA 0.013 4.653 4.640 -0.000 0.000 0.203 1216 D C 1.592 177.882 176.300 -0.017 0.000 0.978 1216 D CA 0.872 54.875 54.000 0.006 0.000 0.861 1216 D CB 0.386 41.191 40.800 0.007 0.000 1.005 1216 D HN 0.366 nan 8.370 nan 0.000 0.450 1217 R N -0.929 119.547 120.500 -0.039 0.000 2.730 1217 R HA 0.770 5.110 4.340 -0.000 0.000 0.228 1217 R C -0.638 175.556 176.300 -0.176 0.000 1.312 1217 R CA -0.670 55.377 56.100 -0.087 0.000 1.093 1217 R CB 1.273 31.533 30.300 -0.066 0.000 1.583 1217 R HN 0.091 nan 8.270 nan 0.000 0.535 1218 A N 0.753 123.386 122.820 -0.310 0.000 2.332 1218 A HA 0.421 4.741 4.320 -0.000 0.000 0.300 1218 A C -1.230 176.194 177.584 -0.267 0.000 1.153 1218 A CA -0.557 51.198 52.037 -0.471 0.000 0.764 1218 A CB 0.807 19.034 19.000 -1.288 0.000 1.174 1218 A HN 0.644 nan 8.150 nan 0.000 0.467 1219 E N 1.243 121.414 120.200 -0.048 0.000 2.210 1219 E HA 0.570 4.920 4.350 -0.000 0.000 0.266 1219 E C -0.451 176.205 176.600 0.093 0.000 0.883 1219 E CA -0.597 55.814 56.400 0.019 0.000 0.761 1219 E CB 2.296 32.122 29.700 0.209 0.000 1.156 1219 E HN 0.711 nan 8.360 nan 0.000 0.412 1220 T N -0.064 114.406 114.554 -0.140 0.000 2.887 1220 T HA 0.631 4.981 4.350 -0.000 0.000 0.288 1220 T C -1.127 173.402 174.700 -0.286 0.000 1.021 1220 T CA -0.608 61.447 62.100 -0.074 0.000 1.000 1220 T CB 0.747 69.568 68.868 -0.078 0.000 1.034 1220 T HN 0.330 nan 8.240 nan 0.000 0.467 1221 Y N 0.277 120.602 120.300 0.042 0.000 2.362 1221 Y HA 0.642 5.192 4.550 -0.000 0.000 0.326 1221 Y C 0.130 176.048 175.900 0.030 0.000 1.083 1221 Y CA -0.728 57.411 58.100 0.064 0.000 1.073 1221 Y CB 2.666 41.202 38.460 0.127 0.000 1.211 1221 Y HN 0.977 nan 8.280 nan 0.000 0.433 1222 T N 2.090 116.720 114.554 0.127 0.000 3.071 1222 T HA 0.746 5.096 4.350 -0.000 0.000 0.311 1222 T C -0.713 174.039 174.700 0.086 0.000 1.042 1222 T CA -0.401 61.741 62.100 0.070 0.000 1.028 1222 T CB 0.822 69.671 68.868 -0.031 0.000 1.068 1222 T HN 0.930 nan 8.240 nan 0.000 0.451 1223 G N 1.472 110.360 108.800 0.145 0.000 2.519 1223 G HA2 0.803 4.763 3.960 -0.000 0.000 0.307 1223 G HA3 0.803 4.763 3.960 -0.000 0.000 0.307 1223 G C -0.417 174.590 174.900 0.178 0.000 1.266 1223 G CA -0.512 44.683 45.100 0.158 0.000 0.970 1223 G HN 0.999 nan 8.290 nan 0.000 0.481 1224 G N -0.973 107.950 108.800 0.205 0.000 2.690 1224 G HA2 0.629 4.589 3.960 -0.000 0.000 0.291 1224 G HA3 0.629 4.589 3.960 -0.000 0.000 0.291 1224 G C -2.205 172.951 174.900 0.427 0.000 1.403 1224 G CA -0.589 44.697 45.100 0.310 0.000 0.864 1224 G HN 0.667 nan 8.290 nan 0.000 0.480 1225 L N 0.593 122.038 121.223 0.370 0.000 2.464 1225 L HA 0.753 5.093 4.340 -0.000 0.000 0.266 1225 L C -0.245 176.615 176.870 -0.017 0.000 0.965 1225 L CA -0.719 54.238 54.840 0.195 0.000 0.833 1225 L CB 2.207 44.371 42.059 0.175 0.000 1.296 1225 L HN 0.917 nan 8.230 nan 0.000 0.405 1226 K N 2.157 122.404 120.400 -0.254 0.000 2.548 1226 K HA 0.671 4.991 4.320 -0.000 0.000 0.282 1226 K C -2.069 174.217 176.600 -0.523 0.000 1.006 1226 K CA -0.918 55.072 56.287 -0.495 0.000 0.892 1226 K CB 2.375 34.333 32.500 -0.903 0.000 1.499 1226 K HN 0.323 nan 8.250 nan 0.000 0.433 1227 Y N 1.198 121.027 120.300 -0.786 0.000 2.323 1227 Y HA 0.389 4.939 4.550 -0.000 0.000 0.322 1227 Y C -2.319 173.068 175.900 -0.855 0.000 1.133 1227 Y CA -0.661 56.931 58.100 -0.846 0.000 1.093 1227 Y CB 2.001 40.027 38.460 -0.723 0.000 1.203 1227 Y HN 0.881 nan 8.280 nan 0.000 0.427 1228 D N 5.173 124.524 120.400 -1.750 0.000 2.478 1228 D HA 0.730 5.370 4.640 -0.000 0.000 0.240 1228 D C -1.679 174.055 176.300 -0.943 0.000 1.364 1228 D CA 0.289 53.588 54.000 -1.168 0.000 0.987 1228 D CB 1.049 41.359 40.800 -0.817 0.000 1.328 1228 D HN 0.933 nan 8.370 nan 0.000 0.584 1229 A N 3.326 125.703 122.820 -0.738 0.000 2.592 1229 A HA 0.532 4.852 4.320 -0.000 0.000 0.300 1229 A C -0.801 176.615 177.584 -0.279 0.000 0.994 1229 A CA -0.651 51.103 52.037 -0.472 0.000 0.707 1229 A CB 0.092 18.784 19.000 -0.513 0.000 1.273 1229 A HN 0.645 nan 8.150 nan 0.000 0.413 1230 N N 2.770 121.351 118.700 -0.199 0.000 2.607 1230 N HA -0.225 4.515 4.740 -0.000 0.000 0.285 1230 N C 0.603 175.972 175.510 -0.235 0.000 1.151 1230 N CA 0.905 53.867 53.050 -0.145 0.000 0.749 1230 N CB -0.924 37.541 38.487 -0.037 0.000 0.923 1230 N HN 0.866 nan 8.380 nan 0.000 0.552 1231 N N -2.143 116.332 118.700 -0.375 0.000 2.889 1231 N HA -0.262 4.478 4.740 -0.000 0.000 0.234 1231 N C -0.309 174.742 175.510 -0.765 0.000 0.915 1231 N CA 1.598 54.208 53.050 -0.733 0.000 1.025 1231 N CB -0.664 37.091 38.487 -1.220 0.000 1.073 1231 N HN 0.608 nan 8.380 nan 0.000 0.613 1232 I N 0.921 121.295 120.570 -0.328 0.000 2.331 1232 I HA 0.169 4.339 4.170 -0.000 0.000 0.292 1232 I C -0.242 175.829 176.117 -0.076 0.000 0.998 1232 I CA -0.614 60.644 61.300 -0.070 0.000 1.267 1232 I CB 0.829 38.914 38.000 0.141 0.000 1.386 1232 I HN 0.002 nan 8.210 nan 0.000 0.476 1233 Y N 7.687 127.904 120.300 -0.138 0.000 2.328 1233 Y HA 0.516 5.066 4.550 -0.000 0.000 0.333 1233 Y C -1.377 174.485 175.900 -0.063 0.000 0.958 1233 Y CA -0.843 57.166 58.100 -0.152 0.000 1.167 1233 Y CB 0.910 39.263 38.460 -0.178 0.000 1.151 1233 Y HN 0.344 nan 8.280 nan 0.000 0.470 1234 L N 5.622 126.614 121.223 -0.385 0.000 2.362 1234 L HA 0.918 5.258 4.340 -0.000 0.000 0.275 1234 L C -0.769 175.883 176.870 -0.364 0.000 0.998 1234 L CA -0.877 53.848 54.840 -0.192 0.000 0.820 1234 L CB 1.314 43.337 42.059 -0.059 0.000 1.270 1234 L HN 0.789 nan 8.230 nan 0.000 0.415 1235 A N 2.546 125.317 122.820 -0.082 0.000 2.597 1235 A HA 0.977 5.297 4.320 -0.000 0.000 0.292 1235 A C -1.773 175.837 177.584 0.044 0.000 1.057 1235 A CA -0.020 51.990 52.037 -0.045 0.000 0.674 1235 A CB 1.531 20.529 19.000 -0.003 0.000 1.278 1235 A HN 1.072 nan 8.150 nan 0.000 0.416 1236 A N 0.682 123.538 122.820 0.059 0.000 2.547 1236 A HA 0.806 5.126 4.320 -0.000 0.000 0.297 1236 A C -1.284 176.358 177.584 0.097 0.000 1.056 1236 A CA -0.374 51.674 52.037 0.017 0.000 0.688 1236 A CB 1.905 20.959 19.000 0.090 0.000 1.282 1236 A HN 1.258 nan 8.150 nan 0.000 0.400 1237 Q N 1.493 121.297 119.800 0.007 0.000 2.271 1237 Q HA 0.500 4.840 4.340 -0.000 0.000 0.268 1237 Q C -2.538 173.523 176.000 0.101 0.000 1.021 1237 Q CA -0.425 55.426 55.803 0.080 0.000 0.802 1237 Q CB 1.965 30.722 28.738 0.031 0.000 1.282 1237 Q HN 0.906 nan 8.270 nan 0.000 0.431 1238 Y N 2.133 122.501 120.300 0.114 0.000 2.406 1238 Y HA 0.624 5.174 4.550 -0.000 0.000 0.340 1238 Y C -1.445 174.543 175.900 0.147 0.000 0.975 1238 Y CA -0.288 57.932 58.100 0.200 0.000 1.056 1238 Y CB 2.164 40.821 38.460 0.328 0.000 1.210 1238 Y HN 0.596 nan 8.280 nan 0.000 0.448 1239 T N 5.904 120.061 114.554 -0.662 0.000 3.105 1239 T HA 0.402 4.752 4.350 -0.000 0.000 0.321 1239 T C -1.897 172.470 174.700 -0.556 0.000 1.135 1239 T CA -0.752 61.078 62.100 -0.450 0.000 1.053 1239 T CB 1.123 69.900 68.868 -0.151 0.000 1.133 1239 T HN 0.794 nan 8.240 nan 0.000 0.463 1240 Q N 2.422 122.029 119.800 -0.323 0.000 2.309 1240 Q HA 0.738 5.078 4.340 -0.000 0.000 0.264 1240 Q C -0.487 175.480 176.000 -0.056 0.000 1.008 1240 Q CA -1.052 54.643 55.803 -0.181 0.000 0.853 1240 Q CB 1.825 30.483 28.738 -0.133 0.000 1.314 1240 Q HN 0.730 nan 8.270 nan 0.000 0.448 1241 T N -1.050 113.390 114.554 -0.189 0.000 2.912 1241 T HA 0.592 4.942 4.350 -0.000 0.000 0.288 1241 T C -1.058 173.391 174.700 -0.420 0.000 1.030 1241 T CA -0.639 61.398 62.100 -0.107 0.000 1.020 1241 T CB 0.788 69.620 68.868 -0.059 0.000 1.056 1241 T HN 0.500 nan 8.240 nan 0.000 0.480 1242 Y N 1.258 121.604 120.300 0.077 0.000 2.326 1242 Y HA 0.425 4.975 4.550 -0.000 0.000 0.331 1242 Y C 0.644 176.529 175.900 -0.026 0.000 0.962 1242 Y CA -1.062 57.063 58.100 0.041 0.000 1.167 1242 Y CB 1.123 39.624 38.460 0.069 0.000 1.148 1242 Y HN 0.803 nan 8.280 nan 0.000 0.463 1243 N N 1.354 120.104 118.700 0.083 0.000 2.747 1243 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 1243 N C 0.203 175.684 175.510 -0.047 0.000 1.107 1243 N CA 1.024 54.092 53.050 0.030 0.000 0.707 1243 N CB -1.152 37.346 38.487 0.019 0.000 1.054 1243 N HN 0.788 nan 8.380 nan 0.000 0.555 1244 A N -1.806 121.012 122.820 -0.002 0.000 2.653 1244 A HA 0.234 4.554 4.320 -0.000 0.000 0.248 1244 A C 0.470 178.167 177.584 0.188 0.000 1.211 1244 A CA 0.232 52.306 52.037 0.061 0.000 0.991 1244 A CB 0.631 19.586 19.000 -0.075 0.000 1.252 1244 A HN 0.109 nan 8.150 nan 0.000 0.593 1245 T N 2.068 116.689 114.554 0.112 0.000 2.753 1245 T HA 0.303 4.653 4.350 -0.000 0.000 0.297 1245 T C 0.128 174.878 174.700 0.082 0.000 0.981 1245 T CA -0.368 61.793 62.100 0.102 0.000 0.956 1245 T CB 0.486 69.391 68.868 0.063 0.000 0.936 1245 T HN 0.348 nan 8.240 nan 0.000 0.463 1246 R N 2.131 122.673 120.500 0.069 0.000 2.504 1246 R HA 0.200 4.540 4.340 -0.000 0.000 0.291 1246 R C 0.106 176.400 176.300 -0.011 0.000 0.974 1246 R CA 0.049 56.154 56.100 0.008 0.000 1.077 1246 R CB -0.167 30.108 30.300 -0.041 0.000 0.926 1246 R HN 0.586 nan 8.270 nan 0.000 0.407 1247 V N 2.483 122.379 119.914 -0.030 0.000 2.257 1247 V HA 0.501 4.621 4.120 -0.000 0.000 0.269 1247 V C 0.956 176.963 176.094 -0.145 0.000 1.040 1247 V CA 0.474 62.739 62.300 -0.060 0.000 0.813 1247 V CB 0.731 32.552 31.823 -0.003 0.000 1.065 1247 V HN 0.964 nan 8.190 nan 0.000 0.457 1248 G N 3.827 112.533 108.800 -0.158 0.000 2.509 1248 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.259 1248 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.259 1248 G C 0.855 175.645 174.900 -0.183 0.000 1.169 1248 G CA 0.880 45.868 45.100 -0.186 0.000 0.953 1248 G HN 2.201 nan 8.290 nan 0.000 0.563 1249 S N -0.335 115.233 115.700 -0.220 0.000 2.588 1249 S HA 0.530 5.000 4.470 -0.000 0.000 0.245 1249 S C 1.461 175.726 174.600 -0.559 0.000 1.021 1249 S CA 0.549 58.558 58.200 -0.319 0.000 1.006 1249 S CB 0.230 63.262 63.200 -0.279 0.000 0.830 1249 S HN 0.727 nan 8.310 nan 0.000 0.468 1250 L N 1.921 122.932 121.223 -0.354 0.000 2.627 1250 L HA 0.378 4.718 4.340 -0.000 0.000 0.232 1250 L C 1.522 178.267 176.870 -0.208 0.000 1.150 1250 L CA 0.435 55.093 54.840 -0.303 0.000 0.917 1250 L CB -0.849 41.222 42.059 0.019 0.000 1.104 1250 L HN 0.725 nan 8.230 nan 0.000 0.445 1251 G N -0.944 107.722 108.800 -0.223 0.000 2.568 1251 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.222 1251 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.222 1251 G C -0.841 174.058 174.900 -0.001 0.000 1.321 1251 G CA -0.343 44.709 45.100 -0.079 0.000 0.893 1251 G HN 0.110 nan 8.290 nan 0.000 0.569 1252 W N -0.465 120.870 121.300 0.060 0.000 2.615 1252 W HA 0.785 5.445 4.660 -0.000 0.000 0.423 1252 W C 0.542 177.112 176.519 0.086 0.000 1.666 1252 W CA -0.084 57.312 57.345 0.086 0.000 1.717 1252 W CB 0.763 30.310 29.460 0.145 0.000 1.696 1252 W HN 1.278 nan 8.180 nan 0.000 0.701 1253 A N 0.598 123.465 122.820 0.079 0.000 2.310 1253 A HA 0.359 4.679 4.320 -0.000 0.000 0.304 1253 A C 0.308 177.923 177.584 0.052 0.000 1.231 1253 A CA -0.588 51.492 52.037 0.071 0.000 0.799 1253 A CB 0.078 19.113 19.000 0.057 0.000 1.162 1253 A HN 0.795 nan 8.150 nan 0.000 0.486 1254 N N 1.168 119.909 118.700 0.069 0.000 2.060 1254 N HA -0.178 4.562 4.740 -0.000 0.000 0.195 1254 N C 0.769 176.304 175.510 0.042 0.000 1.028 1254 N CA 1.816 54.910 53.050 0.075 0.000 0.861 1254 N CB 0.034 38.575 38.487 0.089 0.000 1.029 1254 N HN 0.684 nan 8.380 nan 0.000 0.428 1255 K N -0.220 120.162 120.400 -0.031 0.000 2.371 1255 K HA 0.695 5.015 4.320 -0.000 0.000 0.251 1255 K C -1.944 174.568 176.600 -0.146 0.000 0.934 1255 K CA -0.754 55.413 56.287 -0.200 0.000 0.798 1255 K CB 1.901 34.328 32.500 -0.121 0.000 1.204 1255 K HN 0.035 nan 8.250 nan 0.000 0.427 1256 A N 3.172 125.869 122.820 -0.205 0.000 2.520 1256 A HA 0.426 4.746 4.320 -0.000 0.000 0.298 1256 A C -1.736 175.779 177.584 -0.115 0.000 1.051 1256 A CA -0.712 51.266 52.037 -0.099 0.000 0.690 1256 A CB 1.906 20.880 19.000 -0.042 0.000 1.281 1256 A HN 0.691 nan 8.150 nan 0.000 0.402 1257 Q N 1.159 120.934 119.800 -0.041 0.000 2.331 1257 Q HA 0.476 4.816 4.340 -0.000 0.000 0.267 1257 Q C -1.241 174.761 176.000 0.004 0.000 1.006 1257 Q CA -0.712 55.080 55.803 -0.018 0.000 0.818 1257 Q CB 1.876 30.701 28.738 0.144 0.000 1.276 1257 Q HN 0.686 nan 8.270 nan 0.000 0.450 1258 N N 2.525 121.151 118.700 -0.124 0.000 2.399 1258 N HA 0.422 5.162 4.740 -0.000 0.000 0.280 1258 N C -1.698 173.855 175.510 0.071 0.000 1.008 1258 N CA -0.262 52.778 53.050 -0.017 0.000 0.894 1258 N CB 1.408 39.875 38.487 -0.034 0.000 1.273 1258 N HN 0.437 nan 8.380 nan 0.000 0.486 1259 F N 0.977 120.973 119.950 0.078 0.000 2.546 1259 F HA 0.486 5.013 4.527 -0.000 0.000 0.320 1259 F C -0.704 175.148 175.800 0.087 0.000 1.076 1259 F CA -0.571 57.546 58.000 0.195 0.000 0.928 1259 F CB 1.621 40.810 39.000 0.315 0.000 1.189 1259 F HN 0.306 nan 8.300 nan 0.000 0.465 1260 E N 4.052 123.678 120.200 -0.957 0.000 2.349 1260 E HA 0.589 4.939 4.350 -0.000 0.000 0.290 1260 E C -1.724 174.524 176.600 -0.586 0.000 0.901 1260 E CA -0.762 55.293 56.400 -0.575 0.000 0.800 1260 E CB 1.728 31.282 29.700 -0.243 0.000 1.303 1260 E HN 0.716 nan 8.360 nan 0.000 0.397 1261 A N 2.491 125.116 122.820 -0.323 0.000 2.356 1261 A HA 0.726 5.046 4.320 -0.000 0.000 0.310 1261 A C -1.047 176.557 177.584 0.032 0.000 1.075 1261 A CA -0.553 51.419 52.037 -0.108 0.000 0.746 1261 A CB 1.537 20.559 19.000 0.037 0.000 1.221 1261 A HN 0.323 nan 8.150 nan 0.000 0.443 1262 V N 1.193 121.151 119.914 0.073 0.000 2.715 1262 V HA 0.821 4.941 4.120 -0.000 0.000 0.310 1262 V C 0.083 176.264 176.094 0.144 0.000 1.054 1262 V CA -0.018 62.349 62.300 0.112 0.000 0.928 1262 V CB 1.928 33.829 31.823 0.130 0.000 1.007 1262 V HN 1.418 nan 8.190 nan 0.000 0.437 1263 A N 4.856 127.756 122.820 0.132 0.000 2.359 1263 A HA 0.871 5.191 4.320 -0.000 0.000 0.303 1263 A C -0.844 176.821 177.584 0.135 0.000 1.066 1263 A CA -0.548 51.570 52.037 0.136 0.000 0.730 1263 A CB 1.363 20.425 19.000 0.103 0.000 1.211 1263 A HN 0.789 nan 8.150 nan 0.000 0.439 1264 Q N 0.202 120.099 119.800 0.162 0.000 2.456 1264 Q HA 0.592 4.932 4.340 -0.000 0.000 0.283 1264 Q C -1.987 174.080 176.000 0.112 0.000 1.084 1264 Q CA -0.693 55.179 55.803 0.115 0.000 0.801 1264 Q CB 2.932 31.701 28.738 0.052 0.000 1.434 1264 Q HN 0.730 nan 8.270 nan 0.000 0.419 1265 Y N 0.878 121.110 120.300 -0.113 0.000 2.386 1265 Y HA 0.273 4.823 4.550 -0.000 0.000 0.334 1265 Y C -1.293 174.389 175.900 -0.363 0.000 1.002 1265 Y CA -0.718 57.229 58.100 -0.255 0.000 1.068 1265 Y CB 2.066 40.293 38.460 -0.389 0.000 1.203 1265 Y HN 0.550 nan 8.280 nan 0.000 0.443 1266 Q N 5.529 124.866 119.800 -0.772 0.000 2.421 1266 Q HA 0.365 4.705 4.340 -0.000 0.000 0.242 1266 Q C -1.930 173.793 176.000 -0.461 0.000 1.024 1266 Q CA -0.129 55.383 55.803 -0.486 0.000 0.891 1266 Q CB 0.019 28.514 28.738 -0.405 0.000 1.222 1266 Q HN 0.518 nan 8.270 nan 0.000 0.483 1267 F N 3.211 123.071 119.950 -0.151 0.000 2.443 1267 F HA 0.087 4.614 4.527 -0.000 0.000 0.353 1267 F C 1.469 177.142 175.800 -0.211 0.000 1.101 1267 F CA -0.148 57.762 58.000 -0.151 0.000 1.226 1267 F CB 0.788 39.464 39.000 -0.541 0.000 1.140 1267 F HN 0.708 nan 8.300 nan 0.000 0.557 1268 D N 3.085 123.604 120.400 0.199 0.000 2.347 1268 D HA -0.371 4.269 4.640 -0.000 0.000 0.189 1268 D C 1.722 178.122 176.300 0.166 0.000 1.020 1268 D CA 2.509 56.613 54.000 0.174 0.000 0.875 1268 D CB -1.084 39.877 40.800 0.269 0.000 0.928 1268 D HN 0.580 nan 8.370 nan 0.000 0.454 1269 F N -1.360 118.684 119.950 0.157 0.000 2.569 1269 F HA 0.513 5.040 4.527 -0.000 0.000 0.295 1269 F C 1.945 177.782 175.800 0.061 0.000 1.115 1269 F CA 0.466 58.530 58.000 0.108 0.000 1.450 1269 F CB 0.171 39.238 39.000 0.111 0.000 1.107 1269 F HN 0.249 nan 8.300 nan 0.000 0.563 1270 G N 0.424 108.997 108.800 -0.377 0.000 3.468 1270 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.219 1270 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.219 1270 G C -0.575 174.122 174.900 -0.339 0.000 0.968 1270 G CA -0.115 44.751 45.100 -0.389 0.000 0.851 1270 G HN 0.389 nan 8.290 nan 0.000 0.524 1271 L N 1.276 122.272 121.223 -0.378 0.000 2.360 1271 L HA 0.939 5.279 4.340 -0.000 0.000 0.271 1271 L C 0.200 177.120 176.870 0.084 0.000 1.057 1271 L CA -0.865 53.964 54.840 -0.018 0.000 0.803 1271 L CB 1.416 43.567 42.059 0.153 0.000 1.207 1271 L HN 0.209 nan 8.230 nan 0.000 0.445 1272 R N 4.177 124.742 120.500 0.108 0.000 2.985 1272 R HA 0.454 4.794 4.340 -0.000 0.000 0.259 1272 R C -2.811 173.547 176.300 0.097 0.000 1.815 1272 R CA -1.294 54.855 56.100 0.082 0.000 1.278 1272 R CB 0.937 31.287 30.300 0.083 0.000 1.403 1272 R HN 0.428 nan 8.270 nan 0.000 0.534 1273 P HA 0.040 nan 4.420 nan 0.000 0.269 1273 P C -0.832 176.529 177.300 0.102 0.000 1.209 1273 P CA 0.129 63.313 63.100 0.140 0.000 0.776 1273 P CB 1.318 33.122 31.700 0.174 0.000 0.876 1274 S N 2.970 118.733 115.700 0.104 0.000 2.634 1274 S HA 0.808 5.278 4.470 -0.000 0.000 0.296 1274 S C -1.303 173.365 174.600 0.114 0.000 1.104 1274 S CA -0.754 57.502 58.200 0.094 0.000 0.920 1274 S CB 1.314 64.555 63.200 0.068 0.000 1.111 1274 S HN 0.443 nan 8.310 nan 0.000 0.493 1275 L N 1.107 122.397 121.223 0.112 0.000 2.526 1275 L HA 0.796 5.136 4.340 -0.000 0.000 0.263 1275 L C -1.516 175.424 176.870 0.117 0.000 0.943 1275 L CA -0.237 54.673 54.840 0.117 0.000 0.859 1275 L CB 1.381 43.504 42.059 0.106 0.000 1.313 1275 L HN 1.313 nan 8.230 nan 0.000 0.406 1276 A N 3.894 126.790 122.820 0.127 0.000 2.605 1276 A HA 0.649 4.969 4.320 -0.000 0.000 0.294 1276 A C -2.633 175.034 177.584 0.138 0.000 1.062 1276 A CA -0.440 51.667 52.037 0.117 0.000 0.682 1276 A CB 1.640 20.689 19.000 0.082 0.000 1.278 1276 A HN 0.756 nan 8.150 nan 0.000 0.410 1277 Y N 1.366 121.644 120.300 -0.037 0.000 2.545 1277 Y HA 0.809 5.359 4.550 -0.000 0.000 0.348 1277 Y C -1.215 174.587 175.900 -0.164 0.000 1.002 1277 Y CA -1.091 56.968 58.100 -0.067 0.000 1.039 1277 Y CB 1.749 40.250 38.460 0.068 0.000 1.271 1277 Y HN 0.863 nan 8.280 nan 0.000 0.467 1278 L N 4.281 124.811 121.223 -1.156 0.000 2.549 1278 L HA 0.573 4.913 4.340 -0.000 0.000 0.259 1278 L C -1.685 174.560 176.870 -1.041 0.000 0.934 1278 L CA -0.946 53.336 54.840 -0.929 0.000 0.865 1278 L CB 1.924 43.569 42.059 -0.689 0.000 1.352 1278 L HN 0.833 nan 8.230 nan 0.000 0.410 1279 Q N 1.410 120.928 119.800 -0.471 0.000 2.626 1279 Q HA 0.741 5.081 4.340 -0.000 0.000 0.300 1279 Q C -1.721 174.255 176.000 -0.040 0.000 0.988 1279 Q CA -0.792 54.866 55.803 -0.241 0.000 0.761 1279 Q CB 2.567 31.244 28.738 -0.103 0.000 1.494 1279 Q HN 0.626 nan 8.270 nan 0.000 0.439 1280 S N 0.608 116.307 115.700 -0.002 0.000 2.776 1280 S HA 0.385 4.855 4.470 -0.000 0.000 0.284 1280 S C -1.519 173.106 174.600 0.042 0.000 1.160 1280 S CA -0.641 57.578 58.200 0.031 0.000 1.051 1280 S CB 1.024 64.237 63.200 0.022 0.000 1.037 1280 S HN 0.459 nan 8.310 nan 0.000 0.485 1281 K N 3.587 124.016 120.400 0.048 0.000 2.268 1281 K HA 0.405 4.725 4.320 -0.000 0.000 0.276 1281 K C 0.325 176.930 176.600 0.009 0.000 1.080 1281 K CA -0.415 55.892 56.287 0.033 0.000 0.910 1281 K CB 0.660 33.192 32.500 0.054 0.000 1.163 1281 K HN 0.821 nan 8.250 nan 0.000 0.465 1282 G N 4.321 113.117 108.800 -0.006 0.000 2.358 1282 G HA2 0.143 4.103 3.960 -0.000 0.000 0.273 1282 G HA3 0.143 4.103 3.960 -0.000 0.000 0.273 1282 G C -0.089 174.797 174.900 -0.023 0.000 1.215 1282 G CA -0.270 44.824 45.100 -0.009 0.000 0.910 1282 G HN 0.314 nan 8.290 nan 0.000 0.467 1283 K N 1.295 121.686 120.400 -0.014 0.000 2.168 1283 K HA 0.243 4.563 4.320 -0.000 0.000 0.239 1283 K C 0.643 177.251 176.600 0.013 0.000 0.999 1283 K CA -1.562 54.721 56.287 -0.006 0.000 0.900 1283 K CB 0.547 33.042 32.500 -0.009 0.000 1.111 1283 K HN 0.524 nan 8.250 nan 0.000 0.452 1284 N N 1.507 120.221 118.700 0.023 0.000 3.044 1284 N HA -0.219 4.521 4.740 -0.000 0.000 0.308 1284 N C -0.685 174.864 175.510 0.065 0.000 1.097 1284 N CA 0.464 53.539 53.050 0.041 0.000 0.828 1284 N CB -0.706 37.809 38.487 0.046 0.000 0.968 1284 N HN 0.394 nan 8.380 nan 0.000 0.623 1285 L N 0.712 121.985 121.223 0.083 0.000 2.479 1285 L HA 0.426 4.766 4.340 -0.000 0.000 0.249 1285 L C 1.945 178.916 176.870 0.168 0.000 1.178 1285 L CA -0.394 54.533 54.840 0.145 0.000 0.811 1285 L CB 0.179 42.363 42.059 0.210 0.000 1.187 1285 L HN 0.479 nan 8.230 nan 0.000 0.480 1286 G N -0.828 108.099 108.800 0.211 0.000 2.485 1286 G HA2 0.087 4.047 3.960 -0.000 0.000 0.260 1286 G HA3 0.087 4.047 3.960 -0.000 0.000 0.260 1286 G C 0.245 175.246 174.900 0.169 0.000 1.459 1286 G CA -0.439 44.767 45.100 0.176 0.000 1.060 1286 G HN 0.726 nan 8.290 nan 0.000 0.546 1287 R N -0.355 120.186 120.500 0.070 0.000 3.266 1287 R HA -0.209 4.131 4.340 -0.000 0.000 0.245 1287 R C 1.015 177.116 176.300 -0.331 0.000 0.941 1287 R CA 1.533 57.598 56.100 -0.059 0.000 0.638 1287 R CB -1.628 28.700 30.300 0.046 0.000 1.019 1287 R HN 2.390 nan 8.270 nan 0.000 0.462 1288 G N -0.709 107.975 108.800 -0.193 0.000 2.496 1288 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.243 1288 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.243 1288 G C 0.232 175.074 174.900 -0.098 0.000 1.176 1288 G CA 0.680 45.649 45.100 -0.219 0.000 0.940 1288 G HN 0.397 nan 8.290 nan 0.000 0.573 1289 Y N -0.780 119.546 120.300 0.043 0.000 2.729 1289 Y HA -0.263 4.287 4.550 -0.000 0.000 0.483 1289 Y C 1.982 177.826 175.900 -0.094 0.000 1.111 1289 Y CA 2.862 60.958 58.100 -0.006 0.000 2.927 1289 Y CB -1.993 36.524 38.460 0.095 0.000 0.984 1289 Y HN 1.727 nan 8.280 nan 0.000 0.571 1290 D N -1.715 118.759 120.400 0.123 0.000 4.380 1290 D HA -0.172 4.468 4.640 -0.000 0.000 0.138 1290 D C -0.417 175.878 176.300 -0.007 0.000 0.807 1290 D CA 1.549 55.572 54.000 0.037 0.000 1.062 1290 D CB -1.346 39.458 40.800 0.007 0.000 0.585 1290 D HN 0.402 nan 8.370 nan 0.000 0.584 1291 D N 1.437 121.813 120.400 -0.041 0.000 2.193 1291 D HA 0.676 5.316 4.640 -0.000 0.000 0.249 1291 D C -0.329 175.880 176.300 -0.152 0.000 1.034 1291 D CA 0.339 54.299 54.000 -0.067 0.000 0.902 1291 D CB 1.626 42.405 40.800 -0.036 0.000 1.182 1291 D HN 0.322 nan 8.370 nan 0.000 0.436 1292 E N 0.386 120.463 120.200 -0.204 0.000 2.745 1292 E HA 0.143 4.493 4.350 -0.000 0.000 0.306 1292 E C -2.006 174.442 176.600 -0.254 0.000 1.090 1292 E CA -0.543 55.633 56.400 -0.373 0.000 0.893 1292 E CB 0.895 30.018 29.700 -0.963 0.000 1.205 1292 E HN 0.052 nan 8.360 nan 0.000 0.438 1293 D N 4.252 124.575 120.400 -0.128 0.000 2.312 1293 D HA 0.249 4.889 4.640 -0.000 0.000 0.252 1293 D C 1.125 177.498 176.300 0.122 0.000 1.150 1293 D CA 0.019 54.026 54.000 0.011 0.000 0.870 1293 D CB 0.943 41.764 40.800 0.035 0.000 1.153 1293 D HN 0.474 nan 8.370 nan 0.000 0.457 1294 I N 1.464 122.107 120.570 0.122 0.000 2.617 1294 I HA -0.008 4.162 4.170 -0.000 0.000 0.256 1294 I C 0.663 176.833 176.117 0.088 0.000 1.167 1294 I CA 0.568 61.956 61.300 0.148 0.000 1.469 1294 I CB 0.093 38.152 38.000 0.099 0.000 1.098 1294 I HN 0.172 nan 8.210 nan 0.000 0.436 1295 L N 0.229 121.493 121.223 0.068 0.000 2.672 1295 L HA 0.449 4.789 4.340 -0.000 0.000 0.256 1295 L C -1.318 175.569 176.870 0.029 0.000 0.946 1295 L CA -0.466 54.413 54.840 0.065 0.000 0.889 1295 L CB 1.883 43.977 42.059 0.059 0.000 1.441 1295 L HN 0.004 nan 8.230 nan 0.000 0.418 1296 K N 3.319 123.748 120.400 0.048 0.000 2.592 1296 K HA 0.596 4.916 4.320 -0.000 0.000 0.265 1296 K C -2.305 174.327 176.600 0.053 0.000 1.006 1296 K CA -0.530 55.738 56.287 -0.032 0.000 0.907 1296 K CB 1.102 33.631 32.500 0.049 0.000 1.309 1296 K HN 0.650 nan 8.250 nan 0.000 0.452 1297 Y N -0.074 120.095 120.300 -0.218 0.000 2.521 1297 Y HA 0.510 5.060 4.550 -0.000 0.000 0.326 1297 Y C -2.002 173.834 175.900 -0.107 0.000 1.176 1297 Y CA -1.281 56.732 58.100 -0.146 0.000 1.079 1297 Y CB 0.923 39.274 38.460 -0.182 0.000 1.341 1297 Y HN 0.048 nan 8.280 nan 0.000 0.456 1298 V N 3.898 123.921 119.914 0.183 0.000 2.439 1298 V HA 0.257 4.377 4.120 -0.000 0.000 0.282 1298 V C -0.484 175.713 176.094 0.172 0.000 1.039 1298 V CA -0.199 62.209 62.300 0.179 0.000 0.913 1298 V CB 1.344 33.262 31.823 0.159 0.000 0.983 1298 V HN 0.837 nan 8.190 nan 0.000 0.460 1299 D N 3.764 124.278 120.400 0.189 0.000 2.177 1299 D HA 0.526 5.166 4.640 -0.000 0.000 0.247 1299 D C -1.104 175.285 176.300 0.147 0.000 1.063 1299 D CA -0.056 54.070 54.000 0.210 0.000 0.867 1299 D CB 2.055 43.064 40.800 0.347 0.000 1.168 1299 D HN 0.262 nan 8.370 nan 0.000 0.445 1300 V N 2.198 122.197 119.914 0.141 0.000 2.686 1300 V HA 0.851 4.971 4.120 -0.000 0.000 0.306 1300 V C 0.379 176.621 176.094 0.246 0.000 1.065 1300 V CA -0.374 62.032 62.300 0.177 0.000 0.894 1300 V CB 1.674 33.608 31.823 0.184 0.000 1.004 1300 V HN 0.790 nan 8.190 nan 0.000 0.424 1301 G N 2.828 111.754 108.800 0.211 0.000 2.387 1301 G HA2 0.839 4.799 3.960 -0.000 0.000 0.294 1301 G HA3 0.839 4.799 3.960 -0.000 0.000 0.294 1301 G C -1.491 173.509 174.900 0.167 0.000 1.509 1301 G CA 0.185 45.415 45.100 0.217 0.000 0.806 1301 G HN 1.282 nan 8.290 nan 0.000 0.546 1302 A N -0.662 122.254 122.820 0.160 0.000 2.594 1302 A HA 0.997 5.317 4.320 -0.000 0.000 0.291 1302 A C -0.260 177.399 177.584 0.125 0.000 1.105 1302 A CA 0.120 52.234 52.037 0.129 0.000 0.694 1302 A CB 1.882 20.960 19.000 0.130 0.000 1.291 1302 A HN 2.106 nan 8.150 nan 0.000 0.410 1303 T N -1.195 113.395 114.554 0.061 0.000 2.916 1303 T HA 0.647 4.997 4.350 -0.000 0.000 0.292 1303 T C -1.679 172.927 174.700 -0.157 0.000 1.055 1303 T CA -0.392 61.693 62.100 -0.027 0.000 1.009 1303 T CB 1.417 70.219 68.868 -0.110 0.000 1.118 1303 T HN 1.347 nan 8.240 nan 0.000 0.497 1304 Y N 3.164 123.198 120.300 -0.443 0.000 2.329 1304 Y HA 0.572 5.122 4.550 -0.000 0.000 0.328 1304 Y C -1.830 173.592 175.900 -0.797 0.000 0.992 1304 Y CA -1.290 56.500 58.100 -0.518 0.000 1.151 1304 Y CB 0.971 39.191 38.460 -0.400 0.000 1.150 1304 Y HN 0.712 nan 8.280 nan 0.000 0.450 1305 Y N 7.319 127.107 120.300 -0.853 0.000 2.486 1305 Y HA 0.167 4.717 4.550 -0.000 0.000 0.348 1305 Y C 0.517 175.891 175.900 -0.877 0.000 1.000 1305 Y CA -0.295 57.405 58.100 -0.667 0.000 1.253 1305 Y CB 0.074 38.323 38.460 -0.351 0.000 1.140 1305 Y HN 0.685 nan 8.280 nan 0.000 0.526 1306 F N 1.272 121.132 119.950 -0.151 0.000 2.075 1306 F HA -0.219 4.308 4.527 -0.000 0.000 0.297 1306 F C 0.947 176.755 175.800 0.013 0.000 1.113 1306 F CA 1.390 59.404 58.000 0.022 0.000 1.218 1306 F CB -0.350 38.744 39.000 0.157 0.000 0.984 1306 F HN 0.573 nan 8.300 nan 0.000 0.472 1307 N N -0.937 117.882 118.700 0.198 0.000 3.587 1307 N HA 0.186 4.926 4.740 -0.000 0.000 0.339 1307 N C -1.008 174.539 175.510 0.062 0.000 1.636 1307 N CA -0.998 52.110 53.050 0.096 0.000 0.788 1307 N CB 0.105 38.654 38.487 0.104 0.000 2.205 1307 N HN -0.077 nan 8.380 nan 0.000 0.600 1308 K N -0.834 119.565 120.400 -0.001 0.000 3.006 1308 K HA 0.477 4.797 4.320 -0.000 0.000 0.262 1308 K C -0.401 176.172 176.600 -0.045 0.000 1.289 1308 K CA 0.069 56.326 56.287 -0.050 0.000 1.245 1308 K CB -0.521 31.915 32.500 -0.107 0.000 1.614 1308 K HN 0.485 nan 8.250 nan 0.000 0.322 1309 N N -0.343 118.344 118.700 -0.021 0.000 1.890 1309 N HA 0.113 4.853 4.740 -0.000 0.000 0.250 1309 N C -1.325 174.096 175.510 -0.149 0.000 1.380 1309 N CA 0.139 53.114 53.050 -0.126 0.000 0.755 1309 N CB 0.464 38.897 38.487 -0.090 0.000 1.203 1309 N HN 0.483 nan 8.380 nan 0.000 0.539 1310 M N 0.516 120.167 119.600 0.085 0.000 2.562 1310 M HA 0.529 5.009 4.480 -0.000 0.000 0.281 1310 M C -1.911 174.657 176.300 0.448 0.000 1.195 1310 M CA -0.048 55.398 55.300 0.244 0.000 0.888 1310 M CB 1.957 34.737 32.600 0.300 0.000 1.731 1310 M HN 0.138 nan 8.290 nan 0.000 0.493 1311 S N -0.002 116.009 115.700 0.519 0.000 2.707 1311 S HA 0.769 5.239 4.470 -0.000 0.000 0.270 1311 S C -1.256 173.552 174.600 0.347 0.000 1.031 1311 S CA -0.582 57.829 58.200 0.352 0.000 0.866 1311 S CB 0.831 63.999 63.200 -0.052 0.000 1.114 1311 S HN 1.042 nan 8.310 nan 0.000 0.465 1312 T N -0.180 114.480 114.554 0.176 0.000 2.916 1312 T HA 0.891 5.241 4.350 -0.000 0.000 0.292 1312 T C -1.109 173.614 174.700 0.039 0.000 1.055 1312 T CA -0.815 61.337 62.100 0.086 0.000 1.009 1312 T CB 1.250 70.198 68.868 0.133 0.000 1.118 1312 T HN 1.499 nan 8.240 nan 0.000 0.497 1313 Y N -1.677 118.648 120.300 0.041 0.000 2.625 1313 Y HA 0.807 5.357 4.550 -0.000 0.000 0.338 1313 Y C -1.634 174.304 175.900 0.063 0.000 1.123 1313 Y CA -1.693 56.417 58.100 0.016 0.000 1.046 1313 Y CB 0.949 39.402 38.460 -0.011 0.000 1.299 1313 Y HN 0.540 nan 8.280 nan 0.000 0.464 1314 V N 1.381 121.441 119.914 0.243 0.000 2.709 1314 V HA 0.624 4.744 4.120 -0.000 0.000 0.308 1314 V C -1.382 174.881 176.094 0.281 0.000 1.062 1314 V CA -0.437 61.989 62.300 0.211 0.000 0.901 1314 V CB 1.620 33.528 31.823 0.140 0.000 1.003 1314 V HN 0.850 nan 8.190 nan 0.000 0.425 1315 D N 1.612 122.201 120.400 0.316 0.000 2.753 1315 D HA 0.547 5.187 4.640 -0.000 0.000 0.224 1315 D C -2.016 174.627 176.300 0.571 0.000 1.213 1315 D CA -0.287 53.937 54.000 0.374 0.000 0.833 1315 D CB 2.469 43.366 40.800 0.162 0.000 1.607 1315 D HN 0.516 nan 8.370 nan 0.000 0.463 1316 Y N 2.311 122.821 120.300 0.349 0.000 2.359 1316 Y HA 0.256 4.806 4.550 -0.000 0.000 0.336 1316 Y C -1.318 174.604 175.900 0.036 0.000 1.098 1316 Y CA -1.030 57.170 58.100 0.167 0.000 1.272 1316 Y CB 0.787 39.321 38.460 0.123 0.000 1.112 1316 Y HN 0.277 nan 8.280 nan 0.000 0.481 1317 K N 6.748 126.931 120.400 -0.362 0.000 2.284 1317 K HA 0.468 4.788 4.320 -0.000 0.000 0.287 1317 K C -1.054 175.199 176.600 -0.577 0.000 1.081 1317 K CA -0.194 55.742 56.287 -0.585 0.000 0.910 1317 K CB 0.213 32.026 32.500 -1.145 0.000 1.088 1317 K HN 0.701 nan 8.250 nan 0.000 0.478 1318 I N 4.399 124.649 120.570 -0.533 0.000 2.347 1318 I HA 0.006 4.176 4.170 -0.000 0.000 0.294 1318 I C 0.095 176.121 176.117 -0.152 0.000 1.090 1318 I CA -0.458 60.593 61.300 -0.414 0.000 1.314 1318 I CB 0.304 38.098 38.000 -0.343 0.000 1.423 1318 I HN 0.641 nan 8.210 nan 0.000 0.503 1319 N N 7.821 126.439 118.700 -0.137 0.000 2.500 1319 N HA 0.201 4.941 4.740 -0.000 0.000 0.236 1319 N C 0.111 175.622 175.510 0.003 0.000 1.022 1319 N CA -0.203 52.800 53.050 -0.079 0.000 0.935 1319 N CB 0.848 39.242 38.487 -0.155 0.000 1.147 1319 N HN 0.572 nan 8.380 nan 0.000 0.512 1320 L N 3.417 124.676 121.223 0.061 0.000 2.718 1320 L HA 0.199 4.539 4.340 -0.000 0.000 0.242 1320 L C -0.019 176.890 176.870 0.064 0.000 1.203 1320 L CA 0.075 54.956 54.840 0.069 0.000 1.011 1320 L CB -0.293 41.834 42.059 0.113 0.000 1.250 1320 L HN 0.372 nan 8.230 nan 0.000 0.437 1321 L N -0.640 120.613 121.223 0.051 0.000 2.325 1321 L HA 0.326 4.666 4.340 -0.000 0.000 0.279 1321 L C -0.196 176.703 176.870 0.048 0.000 1.054 1321 L CA -0.852 54.021 54.840 0.055 0.000 0.804 1321 L CB 1.070 43.165 42.059 0.060 0.000 1.200 1321 L HN -0.014 nan 8.230 nan 0.000 0.436 1322 D N 1.665 122.098 120.400 0.054 0.000 2.350 1322 D HA 0.045 4.685 4.640 -0.000 0.000 0.249 1322 D C -0.288 176.051 176.300 0.064 0.000 1.119 1322 D CA -0.281 53.750 54.000 0.052 0.000 0.886 1322 D CB 0.668 41.499 40.800 0.053 0.000 1.195 1322 D HN 0.369 nan 8.370 nan 0.000 0.437 1323 D N 1.893 122.324 120.400 0.051 0.000 2.836 1323 D HA -0.070 4.570 4.640 -0.000 0.000 0.220 1323 D C 0.271 176.620 176.300 0.082 0.000 1.094 1323 D CA 0.989 55.024 54.000 0.058 0.000 0.820 1323 D CB 0.192 41.019 40.800 0.044 0.000 1.171 1323 D HN 0.480 nan 8.370 nan 0.000 0.507 1324 N N -0.325 118.440 118.700 0.108 0.000 3.127 1324 N HA 0.160 4.900 4.740 -0.000 0.000 0.239 1324 N C 0.528 176.145 175.510 0.178 0.000 1.407 1324 N CA -0.652 52.483 53.050 0.143 0.000 0.891 1324 N CB 0.525 39.118 38.487 0.178 0.000 1.447 1324 N HN 0.238 nan 8.380 nan 0.000 0.507 1325 Q N 0.178 120.092 119.800 0.190 0.000 2.449 1325 Q HA -0.127 4.213 4.340 -0.000 0.000 0.214 1325 Q C 1.185 177.354 176.000 0.281 0.000 0.986 1325 Q CA 1.612 57.528 55.803 0.188 0.000 0.893 1325 Q CB -0.816 28.010 28.738 0.146 0.000 0.940 1325 Q HN 0.567 nan 8.270 nan 0.000 0.477 1326 F N 1.530 121.579 119.950 0.164 0.000 2.016 1326 F HA -0.130 4.397 4.527 -0.000 0.000 0.290 1326 F C 2.758 178.516 175.800 -0.070 0.000 1.166 1326 F CA 2.943 60.964 58.000 0.035 0.000 1.156 1326 F CB -0.785 38.200 39.000 -0.024 0.000 0.995 1326 F HN 0.352 nan 8.300 nan 0.000 0.477 1327 T N -0.329 114.173 114.554 -0.087 0.000 2.565 1327 T HA -0.379 3.971 4.350 -0.000 0.000 0.265 1327 T C 2.185 176.763 174.700 -0.203 0.000 1.082 1327 T CA 1.984 63.964 62.100 -0.201 0.000 1.173 1327 T CB -1.070 67.815 68.868 0.028 0.000 0.864 1327 T HN 0.397 nan 8.240 nan 0.000 0.425 1328 R N 1.383 121.842 120.500 -0.067 0.000 2.227 1328 R HA -0.259 4.081 4.340 -0.000 0.000 0.246 1328 R C 2.276 178.537 176.300 -0.065 0.000 1.119 1328 R CA 2.702 58.779 56.100 -0.038 0.000 0.930 1328 R CB -0.853 29.457 30.300 0.017 0.000 0.912 1328 R HN 0.529 nan 8.270 nan 0.000 0.435 1329 D N -0.562 119.801 120.400 -0.062 0.000 2.106 1329 D HA -0.200 4.440 4.640 -0.000 0.000 0.191 1329 D C 1.701 177.947 176.300 -0.091 0.000 0.997 1329 D CA 1.876 55.860 54.000 -0.026 0.000 0.834 1329 D CB -0.487 40.356 40.800 0.071 0.000 0.956 1329 D HN 0.511 nan 8.370 nan 0.000 0.448 1330 A N 0.011 122.649 122.820 -0.304 0.000 2.070 1330 A HA 0.192 4.512 4.320 -0.000 0.000 0.220 1330 A C 1.707 179.182 177.584 -0.182 0.000 1.159 1330 A CA 1.530 53.383 52.037 -0.308 0.000 0.656 1330 A CB -0.604 18.054 19.000 -0.570 0.000 0.800 1330 A HN 0.364 nan 8.150 nan 0.000 0.453 1331 G N -0.755 107.959 108.800 -0.143 0.000 2.333 1331 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.296 1331 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.296 1331 G C -0.108 174.723 174.900 -0.115 0.000 1.059 1331 G CA 0.333 45.375 45.100 -0.097 0.000 1.050 1331 G HN 0.484 nan 8.290 nan 0.000 0.508 1332 I N 0.446 120.934 120.570 -0.137 0.000 2.331 1332 I HA 0.143 4.313 4.170 -0.000 0.000 0.292 1332 I C 0.761 176.833 176.117 -0.076 0.000 0.998 1332 I CA -0.888 60.345 61.300 -0.111 0.000 1.267 1332 I CB 1.115 39.041 38.000 -0.123 0.000 1.386 1332 I HN 0.347 nan 8.210 nan 0.000 0.476 1333 N N 3.957 122.614 118.700 -0.072 0.000 2.454 1333 N HA -0.006 4.734 4.740 -0.000 0.000 0.254 1333 N C 0.699 176.169 175.510 -0.067 0.000 1.228 1333 N CA 0.653 53.662 53.050 -0.068 0.000 0.900 1333 N CB 0.836 39.273 38.487 -0.083 0.000 1.089 1333 N HN 0.742 nan 8.380 nan 0.000 0.449 1334 T N -1.491 113.031 114.554 -0.052 0.000 3.010 1334 T HA 0.151 4.501 4.350 -0.000 0.000 0.253 1334 T C -0.080 174.596 174.700 -0.040 0.000 0.939 1334 T CA -0.376 61.705 62.100 -0.032 0.000 0.910 1334 T CB -0.252 68.618 68.868 0.004 0.000 1.226 1334 T HN 0.401 nan 8.240 nan 0.000 0.508 1335 D N 3.189 123.564 120.400 -0.041 0.000 2.362 1335 D HA 0.157 4.797 4.640 -0.000 0.000 0.238 1335 D C 0.176 176.422 176.300 -0.091 0.000 1.212 1335 D CA -0.086 53.889 54.000 -0.042 0.000 0.902 1335 D CB 0.501 41.289 40.800 -0.021 0.000 1.180 1335 D HN 0.388 nan 8.370 nan 0.000 0.445 1336 N N 0.235 118.897 118.700 -0.064 0.000 2.235 1336 N HA 0.276 5.016 4.740 -0.000 0.000 0.231 1336 N C 0.129 175.578 175.510 -0.100 0.000 1.330 1336 N CA 0.236 53.227 53.050 -0.099 0.000 0.898 1336 N CB 0.768 39.276 38.487 0.034 0.000 1.151 1336 N HN 0.349 nan 8.380 nan 0.000 0.472 1337 I N -0.752 119.742 120.570 -0.127 0.000 3.093 1337 I HA 0.297 4.467 4.170 -0.000 0.000 0.308 1337 I C -1.011 175.178 176.117 0.120 0.000 1.303 1337 I CA -0.927 60.332 61.300 -0.067 0.000 0.975 1337 I CB 2.333 40.144 38.000 -0.314 0.000 1.286 1337 I HN 0.025 nan 8.210 nan 0.000 0.459 1338 V N 2.184 122.233 119.914 0.225 0.000 2.656 1338 V HA 0.836 4.956 4.120 -0.000 0.000 0.307 1338 V C -0.265 176.041 176.094 0.353 0.000 1.051 1338 V CA -0.538 61.969 62.300 0.344 0.000 0.893 1338 V CB 1.683 33.654 31.823 0.245 0.000 0.999 1338 V HN 0.830 nan 8.190 nan 0.000 0.426 1339 A N 4.804 127.837 122.820 0.355 0.000 2.340 1339 A HA 0.949 5.269 4.320 -0.000 0.000 0.331 1339 A C -1.108 176.671 177.584 0.325 0.000 1.140 1339 A CA -0.628 51.581 52.037 0.287 0.000 0.801 1339 A CB 1.428 20.474 19.000 0.077 0.000 1.234 1339 A HN 0.828 nan 8.150 nan 0.000 0.469 1340 L N 1.527 122.935 121.223 0.308 0.000 2.438 1340 L HA 0.750 5.090 4.340 -0.000 0.000 0.270 1340 L C -0.059 176.778 176.870 -0.054 0.000 0.972 1340 L CA -0.305 54.612 54.840 0.128 0.000 0.831 1340 L CB 2.162 44.386 42.059 0.275 0.000 1.273 1340 L HN 0.954 nan 8.230 nan 0.000 0.405 1341 G N 3.620 112.084 108.800 -0.562 0.000 2.696 1341 G HA2 0.608 4.568 3.960 -0.000 0.000 0.295 1341 G HA3 0.608 4.568 3.960 -0.000 0.000 0.295 1341 G C -2.449 172.134 174.900 -0.528 0.000 1.398 1341 G CA -0.449 44.267 45.100 -0.639 0.000 0.920 1341 G HN 0.308 nan 8.290 nan 0.000 0.492 1342 L N 1.525 122.654 121.223 -0.156 0.000 2.406 1342 L HA 0.802 5.142 4.340 -0.000 0.000 0.272 1342 L C -0.973 175.961 176.870 0.107 0.000 0.980 1342 L CA -1.098 53.747 54.840 0.009 0.000 0.831 1342 L CB 1.632 43.715 42.059 0.039 0.000 1.253 1342 L HN 0.369 nan 8.230 nan 0.000 0.406 1343 V N 5.216 125.246 119.914 0.193 0.000 2.735 1343 V HA 0.472 4.592 4.120 -0.000 0.000 0.310 1343 V C -1.367 174.873 176.094 0.243 0.000 1.061 1343 V CA -0.769 61.658 62.300 0.212 0.000 0.913 1343 V CB 1.919 33.887 31.823 0.241 0.000 1.005 1343 V HN 0.683 nan 8.190 nan 0.000 0.428 1344 Y N 4.599 124.962 120.300 0.104 0.000 2.350 1344 Y HA 0.670 5.220 4.550 -0.000 0.000 0.338 1344 Y C -0.346 175.634 175.900 0.134 0.000 0.961 1344 Y CA -0.403 57.766 58.100 0.116 0.000 1.100 1344 Y CB 1.594 40.105 38.460 0.085 0.000 1.179 1344 Y HN 0.704 nan 8.280 nan 0.000 0.454 1345 Q N 6.874 126.339 119.800 -0.558 0.000 2.347 1345 Q HA 0.420 4.760 4.340 -0.000 0.000 0.271 1345 Q C -1.771 174.011 176.000 -0.363 0.000 1.064 1345 Q CA -0.774 54.870 55.803 -0.265 0.000 0.800 1345 Q CB 2.713 31.378 28.738 -0.121 0.000 1.304 1345 Q HN 0.679 nan 8.270 nan 0.000 0.438 1346 F N 0.000 119.868 119.950 -0.137 0.000 2.286 1346 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1346 F CA 0.000 57.999 58.000 -0.002 0.000 1.383 1346 F CB 0.000 39.119 39.000 0.199 0.000 1.145 1346 F HN 0.000 nan 8.300 nan 0.000 0.574