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 3eta_1_B DATA FIRST_RESID 990 DATA SEQUENCE EVSREKITLL RELGQGSFGM VYEGNARDII KGEAETRVAV KTVNESASLR DATA SEQUENCE ERIEFLNEAS VMKGFTCHHV VRLLGVVSKG QPTLVVMELM AHGDLKSYLR DATA SEQUENCE SLRPEAENNP GRPPPTLQEM IQMAAEIADG MAYLNAKKFV HRDLAARNCM DATA SEQUENCE VAHDFTVKIG DFGMTRDIYE TDYYRKXXKG LLPVRWMAPE SLKDGVFTTS DATA SEQUENCE SDMWSFGVVL WEITSLAEQP YQGLSNEQVL KFVMDGGYLD QPDNCPERVT DATA SEQUENCE DLMRMCWQFN PKMRPTFLEI VNLLKDDLHP SFPEVSFFHS EENK 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 990 E HA 0.000 nan 4.350 nan 0.000 0.291 990 E C 0.000 176.585 176.600 -0.026 0.000 1.382 990 E CA 0.000 56.382 56.400 -0.031 0.000 0.976 990 E CB 0.000 29.684 29.700 -0.027 0.000 0.812 991 V N 2.325 122.224 119.914 -0.024 0.000 2.769 991 V HA 0.445 4.565 4.120 -0.000 0.000 0.312 991 V C 0.172 176.255 176.094 -0.018 0.000 1.061 991 V CA -0.793 61.495 62.300 -0.021 0.000 0.931 991 V CB 2.064 33.873 31.823 -0.023 0.000 1.010 991 V HN 0.687 nan 8.190 nan 0.000 0.433 992 S N 2.370 118.060 115.700 -0.017 0.000 2.564 992 S HA 0.180 4.650 4.470 -0.000 0.000 0.278 992 S C 1.177 175.766 174.600 -0.018 0.000 1.333 992 S CA -0.335 57.855 58.200 -0.016 0.000 1.048 992 S CB 0.684 63.875 63.200 -0.016 0.000 0.900 992 S HN 0.747 nan 8.310 nan 0.000 0.505 993 R N 1.230 121.720 120.500 -0.017 0.000 2.152 993 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 993 R C 1.088 177.373 176.300 -0.025 0.000 1.117 993 R CA 1.262 57.350 56.100 -0.021 0.000 0.981 993 R CB -0.042 30.247 30.300 -0.020 0.000 0.870 993 R HN 0.574 nan 8.270 nan 0.000 0.451 994 E N 0.333 120.520 120.200 -0.022 0.000 2.150 994 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 994 E C 1.377 177.963 176.600 -0.023 0.000 0.985 994 E CA 1.180 57.567 56.400 -0.022 0.000 0.814 994 E CB 0.097 29.786 29.700 -0.018 0.000 0.752 994 E HN 0.279 nan 8.360 nan 0.000 0.466 995 K N -0.117 120.270 120.400 -0.022 0.000 2.418 995 K HA 0.066 4.386 4.320 -0.000 0.000 0.195 995 K C -0.022 176.563 176.600 -0.024 0.000 1.035 995 K CA 0.272 56.546 56.287 -0.022 0.000 1.003 995 K CB 0.477 32.965 32.500 -0.020 0.000 0.793 995 K HN 0.067 nan 8.250 nan 0.000 0.494 996 I N 1.798 122.352 120.570 -0.028 0.000 2.354 996 I HA 0.139 4.309 4.170 -0.000 0.000 0.292 996 I C -0.252 175.840 176.117 -0.041 0.000 0.989 996 I CA -0.181 61.100 61.300 -0.032 0.000 1.188 996 I CB 1.481 39.463 38.000 -0.031 0.000 1.342 996 I HN -0.161 nan 8.210 nan 0.000 0.457 997 T N 7.045 121.574 114.554 -0.041 0.000 2.809 997 T HA 0.551 4.901 4.350 -0.000 0.000 0.284 997 T C 0.077 174.743 174.700 -0.056 0.000 0.992 997 T CA -0.552 61.519 62.100 -0.049 0.000 0.957 997 T CB 1.441 70.287 68.868 -0.036 0.000 0.942 997 T HN 0.241 nan 8.240 nan 0.000 0.439 998 L N 4.103 125.269 121.223 -0.095 0.000 2.319 998 L HA 0.382 4.722 4.340 -0.000 0.000 0.280 998 L C 0.986 177.827 176.870 -0.049 0.000 1.099 998 L CA -0.446 54.325 54.840 -0.115 0.000 0.828 998 L CB 0.666 42.530 42.059 -0.324 0.000 1.150 998 L HN 0.612 nan 8.230 nan 0.000 0.442 999 L N 3.226 124.458 121.223 0.014 0.000 2.347 999 L HA 0.265 4.605 4.340 -0.000 0.000 0.196 999 L C 0.679 177.590 176.870 0.068 0.000 1.072 999 L CA 0.321 55.179 54.840 0.029 0.000 0.817 999 L CB 0.112 42.186 42.059 0.024 0.000 1.029 999 L HN 0.698 nan 8.230 nan 0.000 0.478 1000 R N -0.425 120.151 120.500 0.126 0.000 2.716 1000 R HA 0.351 4.690 4.340 -0.000 0.000 0.271 1000 R C -1.369 175.048 176.300 0.195 0.000 1.028 1000 R CA -0.803 55.383 56.100 0.144 0.000 0.883 1000 R CB 1.104 31.447 30.300 0.072 0.000 1.250 1000 R HN -0.144 nan 8.270 nan 0.000 0.465 1001 E N 1.443 121.708 120.200 0.108 0.000 2.290 1001 E HA 0.099 4.449 4.350 -0.000 0.000 0.277 1001 E C 0.225 176.792 176.600 -0.056 0.000 1.035 1001 E CA -0.134 56.220 56.400 -0.077 0.000 0.873 1001 E CB 1.194 30.821 29.700 -0.122 0.000 1.029 1001 E HN 0.428 nan 8.360 nan 0.000 0.419 1002 L N 1.894 123.069 121.223 -0.080 0.000 2.298 1002 L HA 0.232 4.572 4.340 -0.000 0.000 0.209 1002 L C 0.965 177.814 176.870 -0.035 0.000 1.084 1002 L CA 0.319 55.145 54.840 -0.023 0.000 0.816 1002 L CB 0.316 42.389 42.059 0.023 0.000 0.967 1002 L HN 0.664 nan 8.230 nan 0.000 0.460 1003 G N -0.178 108.575 108.800 -0.079 0.000 2.380 1003 G HA2 0.196 4.156 3.960 -0.000 0.000 0.305 1003 G HA3 0.196 4.156 3.960 -0.000 0.000 0.305 1003 G C -1.934 172.913 174.900 -0.088 0.000 1.672 1003 G CA -0.560 44.498 45.100 -0.069 0.000 0.904 1003 G HN -0.136 nan 8.290 nan 0.000 0.686 1004 Q N 0.693 120.437 119.800 -0.093 0.000 2.342 1004 Q HA 0.711 5.051 4.340 -0.000 0.000 0.267 1004 Q C 0.444 176.413 176.000 -0.051 0.000 1.038 1004 Q CA -0.491 55.260 55.803 -0.087 0.000 0.832 1004 Q CB 2.068 30.739 28.738 -0.112 0.000 1.323 1004 Q HN 0.862 nan 8.270 nan 0.000 0.448 1005 G N 0.308 109.089 108.800 -0.032 0.000 2.702 1005 G HA2 0.208 4.168 3.960 -0.000 0.000 0.254 1005 G HA3 0.208 4.168 3.960 -0.000 0.000 0.254 1005 G C 0.691 175.572 174.900 -0.032 0.000 1.380 1005 G CA 0.110 45.196 45.100 -0.024 0.000 1.042 1005 G HN 0.729 nan 8.290 nan 0.000 0.557 1006 S N -2.160 113.521 115.700 -0.031 0.000 2.402 1006 S HA 0.009 4.479 4.470 -0.000 0.000 0.229 1006 S C 1.702 176.280 174.600 -0.037 0.000 1.021 1006 S CA 2.068 60.248 58.200 -0.033 0.000 0.974 1006 S CB -0.461 62.719 63.200 -0.034 0.000 0.800 1006 S HN 1.306 nan 8.310 nan 0.000 0.484 1007 F N 0.792 120.720 119.950 -0.037 0.000 2.798 1007 F HA 0.710 5.237 4.527 -0.000 0.000 0.328 1007 F C 0.864 176.621 175.800 -0.073 0.000 1.098 1007 F CA -0.475 57.495 58.000 -0.050 0.000 1.172 1007 F CB 0.169 39.145 39.000 -0.040 0.000 1.072 1007 F HN 0.650 nan 8.300 nan 0.000 0.555 1008 G N 0.027 108.797 108.800 -0.051 0.000 2.696 1008 G HA2 0.591 4.551 3.960 -0.000 0.000 0.295 1008 G HA3 0.591 4.551 3.960 -0.000 0.000 0.295 1008 G C -1.310 173.563 174.900 -0.045 0.000 1.398 1008 G CA -0.673 44.393 45.100 -0.056 0.000 0.920 1008 G HN 0.452 nan 8.290 nan 0.000 0.492 1009 M N 0.785 120.350 119.600 -0.060 0.000 2.716 1009 M HA 0.829 5.308 4.480 -0.000 0.000 0.307 1009 M C -1.350 174.878 176.300 -0.120 0.000 1.223 1009 M CA -0.756 54.464 55.300 -0.132 0.000 0.871 1009 M CB 2.498 34.961 32.600 -0.228 0.000 1.739 1009 M HN 0.394 nan 8.290 nan 0.000 0.475 1010 V N 3.106 122.883 119.914 -0.227 0.000 2.623 1010 V HA 0.492 4.612 4.120 -0.000 0.000 0.304 1010 V C -1.604 174.346 176.094 -0.239 0.000 1.054 1010 V CA -0.634 61.602 62.300 -0.107 0.000 0.882 1010 V CB 1.566 33.405 31.823 0.027 0.000 1.002 1010 V HN 0.806 nan 8.190 nan 0.000 0.424 1011 Y N 1.265 121.588 120.300 0.039 0.000 2.487 1011 Y HA 0.504 5.054 4.550 -0.000 0.000 0.337 1011 Y C 0.491 176.402 175.900 0.018 0.000 1.076 1011 Y CA -0.678 57.436 58.100 0.024 0.000 1.115 1011 Y CB 1.504 39.974 38.460 0.016 0.000 1.235 1011 Y HN 0.630 nan 8.280 nan 0.000 0.468 1012 E N 1.015 121.318 120.200 0.172 0.000 2.313 1012 E HA 0.533 4.883 4.350 -0.000 0.000 0.276 1012 E C -0.420 176.233 176.600 0.090 0.000 1.031 1012 E CA -0.235 56.222 56.400 0.096 0.000 0.857 1012 E CB 0.804 30.537 29.700 0.054 0.000 1.040 1012 E HN 0.904 nan 8.360 nan 0.000 0.408 1013 G N 2.655 111.483 108.800 0.047 0.000 2.725 1013 G HA2 0.298 4.257 3.960 -0.000 0.000 0.288 1013 G HA3 0.298 4.257 3.960 -0.000 0.000 0.288 1013 G C -1.395 173.503 174.900 -0.004 0.000 1.399 1013 G CA -0.723 44.389 45.100 0.019 0.000 0.859 1013 G HN 0.518 nan 8.290 nan 0.000 0.479 1014 N N -0.756 117.936 118.700 -0.014 0.000 2.314 1014 N HA 0.689 5.429 4.740 -0.000 0.000 0.294 1014 N C -0.533 174.964 175.510 -0.023 0.000 1.029 1014 N CA -0.215 52.823 53.050 -0.021 0.000 0.845 1014 N CB 1.971 40.444 38.487 -0.022 0.000 1.321 1014 N HN 0.768 nan 8.380 nan 0.000 0.481 1015 A N 2.760 125.565 122.820 -0.024 0.000 2.342 1015 A HA 0.640 4.960 4.320 -0.000 0.000 0.323 1015 A C -0.457 177.113 177.584 -0.023 0.000 1.125 1015 A CA -0.689 51.334 52.037 -0.023 0.000 0.785 1015 A CB 0.845 19.831 19.000 -0.023 0.000 1.221 1015 A HN 0.684 nan 8.150 nan 0.000 0.463 1016 R N 2.180 122.667 120.500 -0.022 0.000 2.294 1016 R HA 0.388 4.728 4.340 -0.000 0.000 0.319 1016 R C -0.880 175.408 176.300 -0.019 0.000 0.984 1016 R CA -0.256 55.832 56.100 -0.020 0.000 0.861 1016 R CB 0.413 30.701 30.300 -0.019 0.000 1.104 1016 R HN 0.811 nan 8.270 nan 0.000 0.451 1017 D N 3.518 123.908 120.400 -0.018 0.000 2.751 1017 D HA -0.216 4.423 4.640 -0.000 0.000 0.233 1017 D C 0.850 177.139 176.300 -0.018 0.000 1.149 1017 D CA 1.418 55.408 54.000 -0.017 0.000 0.682 1017 D CB -1.159 39.632 40.800 -0.015 0.000 1.068 1017 D HN 0.730 nan 8.370 nan 0.000 0.429 1018 I N -3.698 116.860 120.570 -0.020 0.000 3.265 1018 I HA 0.158 4.328 4.170 -0.000 0.000 0.282 1018 I C 0.822 176.926 176.117 -0.022 0.000 1.207 1018 I CA 0.216 61.503 61.300 -0.022 0.000 1.449 1018 I CB 0.310 38.296 38.000 -0.024 0.000 1.121 1018 I HN -0.099 nan 8.210 nan 0.000 0.442 1019 I N 2.399 122.957 120.570 -0.021 0.000 2.441 1019 I HA 0.404 4.573 4.170 -0.000 0.000 0.295 1019 I C 0.612 176.720 176.117 -0.016 0.000 0.994 1019 I CA -0.682 60.607 61.300 -0.019 0.000 1.144 1019 I CB 1.601 39.588 38.000 -0.021 0.000 1.314 1019 I HN 0.073 nan 8.210 nan 0.000 0.445 1020 K N 3.859 124.251 120.400 -0.014 0.000 2.451 1020 K HA 0.421 4.741 4.320 -0.000 0.000 0.280 1020 K C 1.012 177.606 176.600 -0.011 0.000 1.020 1020 K CA 0.272 56.553 56.287 -0.012 0.000 1.008 1020 K CB -0.262 32.232 32.500 -0.010 0.000 0.917 1020 K HN 1.192 nan 8.250 nan 0.000 0.478 1021 G N 0.856 109.650 108.800 -0.010 0.000 2.147 1021 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.244 1021 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.244 1021 G C -0.145 174.749 174.900 -0.010 0.000 1.005 1021 G CA 0.428 45.522 45.100 -0.009 0.000 0.713 1021 G HN 0.796 nan 8.290 nan 0.000 0.515 1022 E N -0.829 119.364 120.200 -0.013 0.000 2.283 1022 E HA 0.572 4.922 4.350 -0.000 0.000 0.258 1022 E C 1.011 177.601 176.600 -0.016 0.000 0.893 1022 E CA -0.078 56.313 56.400 -0.015 0.000 0.798 1022 E CB 1.262 30.951 29.700 -0.018 0.000 1.242 1022 E HN 0.375 nan 8.360 nan 0.000 0.414 1023 A N 3.674 126.485 122.820 -0.016 0.000 1.873 1023 A HA -0.074 4.245 4.320 -0.000 0.000 0.215 1023 A C 0.644 178.216 177.584 -0.019 0.000 1.186 1023 A CA 1.248 53.276 52.037 -0.016 0.000 0.616 1023 A CB 0.161 19.152 19.000 -0.014 0.000 0.823 1023 A HN 0.559 nan 8.150 nan 0.000 0.442 1024 E N -1.181 119.006 120.200 -0.021 0.000 2.272 1024 E HA 0.528 4.877 4.350 -0.000 0.000 0.269 1024 E C -1.517 175.065 176.600 -0.030 0.000 0.877 1024 E CA -0.474 55.911 56.400 -0.025 0.000 0.755 1024 E CB 2.160 31.845 29.700 -0.026 0.000 1.192 1024 E HN 0.141 nan 8.360 nan 0.000 0.422 1025 T N 1.201 115.737 114.554 -0.031 0.000 2.848 1025 T HA 0.505 4.855 4.350 -0.000 0.000 0.285 1025 T C -0.118 174.559 174.700 -0.038 0.000 0.995 1025 T CA -0.769 61.309 62.100 -0.036 0.000 0.970 1025 T CB 1.154 70.002 68.868 -0.033 0.000 0.976 1025 T HN 0.518 nan 8.240 nan 0.000 0.441 1026 R N 1.590 122.061 120.500 -0.048 0.000 2.442 1026 R HA 0.692 5.032 4.340 -0.000 0.000 0.291 1026 R C 0.176 176.452 176.300 -0.040 0.000 1.069 1026 R CA -0.398 55.673 56.100 -0.048 0.000 1.022 1026 R CB -0.575 29.683 30.300 -0.070 0.000 0.976 1026 R HN 0.922 nan 8.270 nan 0.000 0.443 1027 V N -1.984 117.915 119.914 -0.025 0.000 3.130 1027 V HA 0.960 5.079 4.120 -0.000 0.000 0.310 1027 V C -0.037 176.059 176.094 0.003 0.000 1.158 1027 V CA -0.898 61.392 62.300 -0.017 0.000 1.029 1027 V CB 2.086 33.900 31.823 -0.015 0.000 1.057 1027 V HN 1.378 nan 8.190 nan 0.000 0.436 1028 A N 1.581 124.404 122.820 0.005 0.000 2.292 1028 A HA 0.853 5.172 4.320 -0.000 0.000 0.319 1028 A C -0.590 177.024 177.584 0.050 0.000 1.206 1028 A CA -0.648 51.408 52.037 0.032 0.000 0.835 1028 A CB 1.305 20.313 19.000 0.013 0.000 1.164 1028 A HN 1.420 nan 8.150 nan 0.000 0.505 1029 V N 3.192 123.171 119.914 0.108 0.000 2.378 1029 V HA 0.348 4.468 4.120 -0.000 0.000 0.288 1029 V C 0.115 176.333 176.094 0.206 0.000 1.016 1029 V CA -0.638 61.744 62.300 0.137 0.000 0.840 1029 V CB 1.369 33.269 31.823 0.129 0.000 0.994 1029 V HN 0.909 nan 8.190 nan 0.000 0.431 1030 K N 3.430 123.938 120.400 0.181 0.000 2.211 1030 K HA 0.669 4.989 4.320 -0.000 0.000 0.275 1030 K C 0.033 176.852 176.600 0.366 0.000 1.024 1030 K CA -0.217 56.215 56.287 0.242 0.000 0.887 1030 K CB 1.345 33.970 32.500 0.208 0.000 1.084 1030 K HN 0.923 nan 8.250 nan 0.000 0.463 1031 T N -0.844 113.875 114.554 0.276 0.000 2.888 1031 T HA 0.449 4.799 4.350 -0.000 0.000 0.288 1031 T C -0.860 173.678 174.700 -0.270 0.000 1.063 1031 T CA -0.845 61.319 62.100 0.107 0.000 1.010 1031 T CB 1.613 70.572 68.868 0.152 0.000 1.214 1031 T HN 0.264 nan 8.240 nan 0.000 0.533 1032 V N 2.271 121.833 119.914 -0.585 0.000 2.581 1032 V HA 0.605 4.725 4.120 -0.000 0.000 0.303 1032 V C -0.470 175.466 176.094 -0.263 0.000 1.041 1032 V CA -0.793 61.149 62.300 -0.596 0.000 0.907 1032 V CB 1.517 32.769 31.823 -0.951 0.000 0.994 1032 V HN 1.186 nan 8.190 nan 0.000 0.442 1033 N N 3.837 122.432 118.700 -0.174 0.000 2.491 1033 N HA 0.289 5.029 4.740 -0.000 0.000 0.279 1033 N C 0.524 175.984 175.510 -0.083 0.000 1.236 1033 N CA -0.549 52.444 53.050 -0.095 0.000 0.982 1033 N CB 0.370 38.818 38.487 -0.064 0.000 1.194 1033 N HN 0.507 nan 8.380 nan 0.000 0.582 1034 E N -0.633 119.536 120.200 -0.052 0.000 2.338 1034 E HA -0.052 4.297 4.350 -0.000 0.000 0.197 1034 E C 0.937 177.513 176.600 -0.040 0.000 1.007 1034 E CA 0.731 57.106 56.400 -0.042 0.000 0.849 1034 E CB -0.268 29.416 29.700 -0.027 0.000 0.774 1034 E HN 0.604 nan 8.360 nan 0.000 0.506 1035 S N 0.829 116.503 115.700 -0.043 0.000 2.461 1035 S HA 0.074 4.544 4.470 -0.000 0.000 0.228 1035 S C 1.098 175.673 174.600 -0.041 0.000 1.005 1035 S CA 0.263 58.441 58.200 -0.037 0.000 0.942 1035 S CB 0.124 63.303 63.200 -0.035 0.000 0.776 1035 S HN 0.275 nan 8.310 nan 0.000 0.514 1036 A N 2.908 125.694 122.820 -0.057 0.000 2.522 1036 A HA 0.448 4.768 4.320 -0.000 0.000 0.256 1036 A C 0.843 178.401 177.584 -0.043 0.000 1.086 1036 A CA -0.403 51.599 52.037 -0.059 0.000 0.763 1036 A CB 0.010 18.950 19.000 -0.100 0.000 1.024 1036 A HN 0.428 nan 8.150 nan 0.000 0.502 1037 S N 2.547 118.230 115.700 -0.029 0.000 2.671 1037 S HA 0.351 4.821 4.470 -0.000 0.000 0.272 1037 S C 1.182 175.775 174.600 -0.011 0.000 1.174 1037 S CA -0.033 58.156 58.200 -0.018 0.000 1.004 1037 S CB 0.241 63.433 63.200 -0.013 0.000 1.077 1037 S HN 1.065 nan 8.310 nan 0.000 0.553 1038 L N 1.022 122.242 121.223 -0.004 0.000 2.013 1038 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 1038 L C 2.818 179.695 176.870 0.011 0.000 1.073 1038 L CA 2.207 57.050 54.840 0.004 0.000 0.753 1038 L CB -0.900 41.161 42.059 0.003 0.000 0.890 1038 L HN 0.897 nan 8.230 nan 0.000 0.432 1039 R N -0.724 119.781 120.500 0.008 0.000 2.096 1039 R HA -0.190 4.150 4.340 -0.000 0.000 0.235 1039 R C 2.099 178.412 176.300 0.022 0.000 1.127 1039 R CA 1.847 57.954 56.100 0.012 0.000 0.968 1039 R CB -0.143 30.160 30.300 0.005 0.000 0.861 1039 R HN 0.507 nan 8.270 nan 0.000 0.440 1040 E N -0.369 119.841 120.200 0.017 0.000 2.152 1040 E HA -0.086 4.263 4.350 -0.000 0.000 0.192 1040 E C 2.115 178.753 176.600 0.063 0.000 0.983 1040 E CA 0.825 57.241 56.400 0.028 0.000 0.818 1040 E CB 0.054 29.753 29.700 -0.002 0.000 0.758 1040 E HN 0.247 nan 8.360 nan 0.000 0.467 1041 R N 0.326 120.852 120.500 0.043 0.000 2.081 1041 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 1041 R C 2.247 178.635 176.300 0.146 0.000 1.131 1041 R CA 1.221 57.375 56.100 0.089 0.000 0.960 1041 R CB -0.268 30.058 30.300 0.044 0.000 0.856 1041 R HN 0.192 nan 8.270 nan 0.000 0.436 1042 I N 0.604 121.224 120.570 0.083 0.000 2.179 1042 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 1042 I C 2.070 178.227 176.117 0.067 0.000 1.088 1042 I CA 1.521 62.859 61.300 0.062 0.000 1.357 1042 I CB -0.243 37.777 38.000 0.034 0.000 1.051 1042 I HN 0.257 nan 8.210 nan 0.000 0.409 1043 E N 0.265 120.510 120.200 0.075 0.000 2.077 1043 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 1043 E C 2.063 178.719 176.600 0.094 0.000 0.989 1043 E CA 1.474 57.914 56.400 0.067 0.000 0.800 1043 E CB -0.233 29.503 29.700 0.059 0.000 0.746 1043 E HN 0.398 nan 8.360 nan 0.000 0.452 1044 F N 1.621 121.563 119.950 -0.013 0.000 2.046 1044 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 1044 F C 1.938 177.726 175.800 -0.020 0.000 1.123 1044 F CA 1.540 59.532 58.000 -0.013 0.000 1.199 1044 F CB -0.261 38.734 39.000 -0.008 0.000 0.972 1044 F HN -0.087 nan 8.300 nan 0.000 0.474 1045 L N 0.174 121.378 121.223 -0.032 0.000 2.093 1045 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 1045 L C 2.490 179.269 176.870 -0.151 0.000 1.085 1045 L CA 1.553 56.304 54.840 -0.150 0.000 0.755 1045 L CB -1.030 41.034 42.059 0.007 0.000 0.904 1045 L HN 0.373 nan 8.230 nan 0.000 0.435 1046 N N 0.607 119.259 118.700 -0.080 0.000 2.120 1046 N HA -0.270 4.470 4.740 -0.000 0.000 0.188 1046 N C 1.828 177.272 175.510 -0.110 0.000 1.024 1046 N CA 1.631 54.638 53.050 -0.072 0.000 0.852 1046 N CB 0.117 38.589 38.487 -0.026 0.000 1.003 1046 N HN 0.432 nan 8.380 nan 0.000 0.424 1047 E N 0.394 120.520 120.200 -0.124 0.000 2.038 1047 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 1047 E C 1.941 178.407 176.600 -0.223 0.000 1.000 1047 E CA 1.333 57.647 56.400 -0.144 0.000 0.803 1047 E CB -0.209 29.416 29.700 -0.124 0.000 0.750 1047 E HN 0.427 nan 8.360 nan 0.000 0.448 1048 A N 0.556 123.201 122.820 -0.292 0.000 1.917 1048 A HA -0.246 4.073 4.320 -0.000 0.000 0.219 1048 A C 2.373 179.814 177.584 -0.238 0.000 1.182 1048 A CA 2.166 54.031 52.037 -0.287 0.000 0.633 1048 A CB -1.014 17.779 19.000 -0.344 0.000 0.819 1048 A HN 0.377 nan 8.150 nan 0.000 0.448 1049 S N -0.912 114.663 115.700 -0.208 0.000 2.355 1049 S HA -0.117 4.353 4.470 -0.000 0.000 0.222 1049 S C 1.914 176.369 174.600 -0.240 0.000 1.031 1049 S CA 1.615 59.706 58.200 -0.182 0.000 0.993 1049 S CB -0.487 62.634 63.200 -0.131 0.000 0.859 1049 S HN 0.300 nan 8.310 nan 0.000 0.453 1050 V N 2.214 121.964 119.914 -0.273 0.000 2.358 1050 V HA -0.131 3.988 4.120 -0.000 0.000 0.246 1050 V C 2.444 178.046 176.094 -0.820 0.000 1.047 1050 V CA 1.979 64.030 62.300 -0.414 0.000 1.035 1050 V CB -0.589 31.075 31.823 -0.264 0.000 0.658 1050 V HN 0.541 nan 8.190 nan 0.000 0.452 1051 M N -0.871 118.335 119.600 -0.656 0.000 2.374 1051 M HA -0.155 4.324 4.480 -0.000 0.000 0.264 1051 M C 2.135 178.175 176.300 -0.434 0.000 1.067 1051 M CA 1.385 56.295 55.300 -0.650 0.000 1.103 1051 M CB -0.477 31.948 32.600 -0.292 0.000 1.402 1051 M HN 0.252 nan 8.290 nan 0.000 0.444 1052 K N 0.121 120.320 120.400 -0.334 0.000 2.211 1052 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 1052 K C 1.789 178.284 176.600 -0.176 0.000 1.047 1052 K CA 1.197 57.361 56.287 -0.205 0.000 0.935 1052 K CB -0.276 32.125 32.500 -0.165 0.000 0.728 1052 K HN 0.442 nan 8.250 nan 0.000 0.452 1053 G N -0.052 108.575 108.800 -0.290 0.000 3.042 1053 G HA2 0.014 3.973 3.960 -0.000 0.000 0.212 1053 G HA3 0.014 3.973 3.960 -0.000 0.000 0.212 1053 G C -0.127 174.851 174.900 0.130 0.000 1.166 1053 G CA -0.244 44.776 45.100 -0.132 0.000 0.767 1053 G HN -0.022 nan 8.290 nan 0.000 0.546 1054 F N 1.219 121.175 119.950 0.010 0.000 2.411 1054 F HA 0.518 5.045 4.527 -0.000 0.000 0.352 1054 F C 0.029 175.806 175.800 -0.038 0.000 1.123 1054 F CA -1.502 56.544 58.000 0.076 0.000 1.044 1054 F CB 1.696 40.688 39.000 -0.013 0.000 1.135 1054 F HN -0.286 nan 8.300 nan 0.000 0.461 1055 T N 2.598 117.225 114.554 0.122 0.000 2.963 1055 T HA 0.441 4.791 4.350 -0.000 0.000 0.328 1055 T C -1.175 173.242 174.700 -0.473 0.000 1.048 1055 T CA -0.513 61.523 62.100 -0.107 0.000 1.033 1055 T CB 0.954 69.828 68.868 0.009 0.000 1.010 1055 T HN 0.735 nan 8.240 nan 0.000 0.469 1056 C N 3.099 122.076 119.300 -0.538 0.000 2.891 1056 C HA 0.471 4.930 4.460 -0.000 0.000 0.342 1056 C C 1.419 176.217 174.990 -0.320 0.000 1.126 1056 C CA -0.520 58.141 59.018 -0.595 0.000 1.322 1056 C CB 0.626 27.687 27.740 -1.133 0.000 1.763 1056 C HN 1.132 nan 8.230 nan 0.000 0.491 1057 H N 1.433 120.283 119.070 -0.367 0.000 2.456 1057 H HA 0.004 4.560 4.556 -0.000 0.000 0.296 1057 H C 1.056 176.119 175.328 -0.442 0.000 1.079 1057 H CA 2.299 58.094 56.048 -0.422 0.000 1.322 1057 H CB 0.057 29.489 29.762 -0.550 0.000 1.388 1057 H HN 0.856 nan 8.280 nan 0.000 0.538 1058 H N -1.354 117.668 119.070 -0.080 0.000 2.487 1058 H HA 0.360 4.916 4.556 -0.000 0.000 0.290 1058 H C -0.783 174.481 175.328 -0.106 0.000 1.081 1058 H CA -0.245 55.765 56.048 -0.062 0.000 1.116 1058 H CB 0.776 30.573 29.762 0.059 0.000 1.560 1058 H HN 0.001 nan 8.280 nan 0.000 0.548 1059 V N 1.406 121.251 119.914 -0.115 0.000 2.577 1059 V HA 0.105 4.224 4.120 -0.000 0.000 0.303 1059 V C 0.076 176.092 176.094 -0.130 0.000 1.042 1059 V CA -1.181 61.044 62.300 -0.126 0.000 0.872 1059 V CB 2.361 34.054 31.823 -0.216 0.000 0.998 1059 V HN 0.006 nan 8.190 nan 0.000 0.423 1060 V N 4.994 124.853 119.914 -0.092 0.000 2.583 1060 V HA -0.007 4.113 4.120 -0.000 0.000 0.302 1060 V C 0.771 176.812 176.094 -0.088 0.000 1.033 1060 V CA 0.514 62.756 62.300 -0.096 0.000 1.194 1060 V CB -0.241 31.524 31.823 -0.097 0.000 0.879 1060 V HN 0.860 nan 8.190 nan 0.000 0.482 1061 R N 4.373 124.815 120.500 -0.096 0.000 2.404 1061 R HA 0.561 4.901 4.340 -0.000 0.000 0.291 1061 R C -0.488 175.771 176.300 -0.069 0.000 1.025 1061 R CA -0.784 55.269 56.100 -0.078 0.000 0.991 1061 R CB 1.019 31.267 30.300 -0.088 0.000 1.053 1061 R HN 0.726 nan 8.270 nan 0.000 0.479 1062 L N 5.667 126.852 121.223 -0.064 0.000 2.290 1062 L HA 0.225 4.565 4.340 -0.000 0.000 0.284 1062 L C 0.016 176.846 176.870 -0.067 0.000 1.078 1062 L CA -0.163 54.631 54.840 -0.077 0.000 0.815 1062 L CB 0.852 42.849 42.059 -0.104 0.000 1.162 1062 L HN 0.836 nan 8.230 nan 0.000 0.435 1063 L N 5.004 126.191 121.223 -0.060 0.000 2.357 1063 L HA 0.482 4.821 4.340 -0.000 0.000 0.211 1063 L C 0.927 177.768 176.870 -0.048 0.000 1.075 1063 L CA 0.454 55.264 54.840 -0.050 0.000 0.830 1063 L CB 0.020 42.053 42.059 -0.043 0.000 0.996 1063 L HN 0.812 nan 8.230 nan 0.000 0.467 1064 G N -0.995 107.774 108.800 -0.053 0.000 2.466 1064 G HA2 0.462 4.422 3.960 -0.000 0.000 0.291 1064 G HA3 0.462 4.422 3.960 -0.000 0.000 0.291 1064 G C -2.055 172.812 174.900 -0.054 0.000 1.460 1064 G CA -0.457 44.613 45.100 -0.050 0.000 0.791 1064 G HN -0.312 nan 8.290 nan 0.000 0.505 1065 V N 0.170 120.053 119.914 -0.052 0.000 2.588 1065 V HA 0.491 4.611 4.120 -0.000 0.000 0.304 1065 V C 0.011 176.089 176.094 -0.027 0.000 1.042 1065 V CA -0.755 61.516 62.300 -0.049 0.000 0.877 1065 V CB 1.843 33.623 31.823 -0.072 0.000 0.996 1065 V HN 0.708 nan 8.190 nan 0.000 0.425 1066 V N 4.430 124.338 119.914 -0.009 0.000 2.313 1066 V HA 0.150 4.269 4.120 -0.000 0.000 0.252 1066 V C 1.248 177.348 176.094 0.009 0.000 1.112 1066 V CA 0.554 62.853 62.300 -0.001 0.000 0.984 1066 V CB 0.395 32.219 31.823 0.002 0.000 1.157 1066 V HN 1.099 nan 8.190 nan 0.000 0.493 1067 S N 2.647 118.346 115.700 -0.000 0.000 2.456 1067 S HA 0.079 4.549 4.470 -0.000 0.000 0.224 1067 S C 1.014 175.618 174.600 0.007 0.000 1.035 1067 S CA -0.091 58.112 58.200 0.005 0.000 0.940 1067 S CB 0.001 63.196 63.200 -0.009 0.000 0.799 1067 S HN 0.598 nan 8.310 nan 0.000 0.508 1068 K N 2.535 122.935 120.400 0.000 0.000 2.395 1068 K HA 0.367 4.687 4.320 -0.000 0.000 0.283 1068 K C 0.958 177.558 176.600 0.001 0.000 1.068 1068 K CA 0.763 57.049 56.287 -0.001 0.000 1.039 1068 K CB -0.559 31.938 32.500 -0.006 0.000 0.924 1068 K HN 0.485 nan 8.250 nan 0.000 0.468 1069 G N 1.280 110.082 108.800 0.003 0.000 2.645 1069 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.239 1069 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.239 1069 G C -0.746 174.159 174.900 0.009 0.000 1.331 1069 G CA -0.054 45.048 45.100 0.003 0.000 0.890 1069 G HN 0.910 nan 8.290 nan 0.000 0.572 1070 Q N -0.367 119.435 119.800 0.005 0.000 2.421 1070 Q HA 0.823 5.162 4.340 -0.000 0.000 0.280 1070 Q C -1.986 174.012 176.000 -0.002 0.000 1.085 1070 Q CA -0.574 55.233 55.803 0.007 0.000 0.807 1070 Q CB 1.212 29.953 28.738 0.005 0.000 1.405 1070 Q HN 1.361 nan 8.270 nan 0.000 0.419 1071 P HA 0.382 nan 4.420 nan 0.000 0.277 1071 P C -0.571 176.753 177.300 0.040 0.000 1.240 1071 P CA -0.107 62.998 63.100 0.009 0.000 0.798 1071 P CB 0.745 32.443 31.700 -0.003 0.000 0.979 1072 T N 2.462 117.066 114.554 0.084 0.000 2.888 1072 T HA 0.267 4.617 4.350 -0.000 0.000 0.301 1072 T C 0.322 175.138 174.700 0.194 0.000 1.001 1072 T CA -0.055 62.134 62.100 0.149 0.000 1.147 1072 T CB -0.112 68.915 68.868 0.264 0.000 0.931 1072 T HN 0.211 nan 8.240 nan 0.000 0.541 1073 L N 3.548 124.848 121.223 0.129 0.000 2.319 1073 L HA 0.498 4.838 4.340 -0.000 0.000 0.281 1073 L C -0.379 176.543 176.870 0.086 0.000 1.005 1073 L CA -1.121 53.793 54.840 0.124 0.000 0.828 1073 L CB 1.531 43.621 42.059 0.052 0.000 1.227 1073 L HN 0.340 nan 8.230 nan 0.000 0.415 1074 V N 4.601 124.579 119.914 0.107 0.000 2.348 1074 V HA 0.258 4.378 4.120 -0.000 0.000 0.270 1074 V C 0.197 176.291 176.094 0.001 0.000 1.037 1074 V CA -0.520 61.769 62.300 -0.018 0.000 0.872 1074 V CB 1.667 33.394 31.823 -0.160 0.000 1.002 1074 V HN 0.433 nan 8.190 nan 0.000 0.464 1075 V N 7.316 127.217 119.914 -0.023 0.000 2.370 1075 V HA 0.538 4.658 4.120 -0.000 0.000 0.279 1075 V C 0.094 176.166 176.094 -0.036 0.000 1.029 1075 V CA -0.183 62.108 62.300 -0.016 0.000 0.870 1075 V CB 1.231 33.044 31.823 -0.017 0.000 0.984 1075 V HN 0.832 nan 8.190 nan 0.000 0.451 1076 M N 3.144 122.726 119.600 -0.031 0.000 2.727 1076 M HA 0.492 4.972 4.480 -0.000 0.000 0.300 1076 M C -0.081 176.193 176.300 -0.044 0.000 1.246 1076 M CA -0.767 54.504 55.300 -0.048 0.000 0.835 1076 M CB 2.435 34.999 32.600 -0.059 0.000 1.755 1076 M HN 0.784 nan 8.290 nan 0.000 0.473 1077 E N 1.053 121.219 120.200 -0.057 0.000 2.415 1077 E HA 0.250 4.599 4.350 -0.000 0.000 0.262 1077 E C -1.085 175.484 176.600 -0.052 0.000 1.038 1077 E CA -0.601 55.764 56.400 -0.058 0.000 0.921 1077 E CB 0.766 30.422 29.700 -0.073 0.000 0.950 1077 E HN 0.419 nan 8.360 nan 0.000 0.438 1078 L N 3.431 124.626 121.223 -0.047 0.000 2.360 1078 L HA 0.162 4.502 4.340 -0.000 0.000 0.276 1078 L C -0.585 176.259 176.870 -0.044 0.000 1.121 1078 L CA 0.004 54.820 54.840 -0.040 0.000 0.845 1078 L CB 0.910 42.943 42.059 -0.044 0.000 1.143 1078 L HN 0.656 nan 8.230 nan 0.000 0.452 1079 M N 5.932 125.515 119.600 -0.029 0.000 2.208 1079 M HA 0.289 4.769 4.480 -0.000 0.000 0.352 1079 M C 0.959 177.249 176.300 -0.017 0.000 1.137 1079 M CA -0.234 55.055 55.300 -0.018 0.000 1.091 1079 M CB 0.294 32.896 32.600 0.002 0.000 1.309 1079 M HN 0.780 nan 8.290 nan 0.000 0.408 1080 A N 1.208 123.982 122.820 -0.077 0.000 2.121 1080 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 1080 A C 1.310 178.733 177.584 -0.269 0.000 1.154 1080 A CA 1.373 53.308 52.037 -0.169 0.000 0.679 1080 A CB -0.605 18.265 19.000 -0.217 0.000 0.795 1080 A HN 0.825 nan 8.150 nan 0.000 0.458 1081 H N -1.328 117.708 119.070 -0.057 0.000 2.520 1081 H HA 0.407 4.963 4.556 -0.000 0.000 0.284 1081 H C 1.435 176.791 175.328 0.047 0.000 1.037 1081 H CA 0.289 56.310 56.048 -0.045 0.000 1.168 1081 H CB 0.236 29.872 29.762 -0.210 0.000 1.497 1081 H HN 0.676 nan 8.280 nan 0.000 0.547 1082 G N 1.316 110.208 108.800 0.153 0.000 2.598 1082 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 1082 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 1082 G C -0.382 174.682 174.900 0.273 0.000 1.302 1082 G CA -0.191 45.040 45.100 0.218 0.000 0.903 1082 G HN 0.525 nan 8.290 nan 0.000 0.575 1083 D N 0.016 120.593 120.400 0.294 0.000 2.339 1083 D HA 0.287 4.926 4.640 -0.000 0.000 0.245 1083 D C 1.615 178.078 176.300 0.272 0.000 1.115 1083 D CA -0.151 54.041 54.000 0.320 0.000 0.917 1083 D CB 1.632 42.562 40.800 0.217 0.000 1.192 1083 D HN 0.583 nan 8.370 nan 0.000 0.428 1084 L N 1.814 123.187 121.223 0.251 0.000 2.141 1084 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 1084 L C 2.464 179.475 176.870 0.234 0.000 1.094 1084 L CA 1.595 56.590 54.840 0.257 0.000 0.763 1084 L CB -0.756 41.428 42.059 0.208 0.000 0.908 1084 L HN 0.597 nan 8.230 nan 0.000 0.437 1085 K N -1.059 119.432 120.400 0.151 0.000 2.026 1085 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 1085 K C 2.075 178.760 176.600 0.142 0.000 1.048 1085 K CA 1.736 58.056 56.287 0.054 0.000 0.929 1085 K CB -0.148 32.214 32.500 -0.229 0.000 0.713 1085 K HN 0.346 nan 8.250 nan 0.000 0.439 1086 S N -0.073 115.784 115.700 0.262 0.000 2.368 1086 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 1086 S C 1.624 176.362 174.600 0.230 0.000 1.030 1086 S CA 1.317 59.685 58.200 0.279 0.000 0.999 1086 S CB -0.507 62.850 63.200 0.262 0.000 0.844 1086 S HN 0.454 nan 8.310 nan 0.000 0.459 1087 Y N 2.234 122.616 120.300 0.137 0.000 2.145 1087 Y HA -0.077 4.472 4.550 -0.000 0.000 0.286 1087 Y C 1.866 177.812 175.900 0.078 0.000 1.145 1087 Y CA 1.235 59.407 58.100 0.121 0.000 1.148 1087 Y CB -0.543 38.004 38.460 0.145 0.000 0.981 1087 Y HN 0.135 nan 8.280 nan 0.000 0.507 1088 L N -0.122 121.091 121.223 -0.016 0.000 2.046 1088 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 1088 L C 2.638 179.434 176.870 -0.123 0.000 1.077 1088 L CA 1.557 56.315 54.840 -0.136 0.000 0.747 1088 L CB -0.476 41.576 42.059 -0.011 0.000 0.896 1088 L HN 0.148 nan 8.230 nan 0.000 0.432 1089 R N -0.388 120.095 120.500 -0.028 0.000 2.148 1089 R HA -0.107 4.233 4.340 -0.000 0.000 0.227 1089 R C 2.519 178.803 176.300 -0.027 0.000 1.103 1089 R CA 1.456 57.553 56.100 -0.006 0.000 0.983 1089 R CB -0.290 30.051 30.300 0.068 0.000 0.874 1089 R HN 0.462 nan 8.270 nan 0.000 0.451 1090 S N 0.506 116.182 115.700 -0.039 0.000 2.453 1090 S HA -0.010 4.459 4.470 -0.000 0.000 0.231 1090 S C 1.808 176.344 174.600 -0.107 0.000 1.005 1090 S CA 0.610 58.786 58.200 -0.041 0.000 0.949 1090 S CB -0.113 63.093 63.200 0.010 0.000 0.774 1090 S HN 0.241 nan 8.310 nan 0.000 0.510 1091 L N 0.534 121.638 121.223 -0.198 0.000 2.591 1091 L HA 0.227 4.567 4.340 -0.000 0.000 0.228 1091 L C 1.002 177.788 176.870 -0.139 0.000 1.133 1091 L CA -0.103 54.607 54.840 -0.218 0.000 0.880 1091 L CB -0.172 41.678 42.059 -0.349 0.000 1.033 1091 L HN 0.145 nan 8.230 nan 0.000 0.450 1092 R N 1.242 121.680 120.500 -0.103 0.000 2.570 1092 R HA 0.009 4.349 4.340 -0.000 0.000 0.277 1092 R C -1.141 175.123 176.300 -0.059 0.000 1.039 1092 R CA -1.183 54.872 56.100 -0.075 0.000 1.065 1092 R CB 0.263 30.531 30.300 -0.053 0.000 0.964 1092 R HN -0.093 nan 8.270 nan 0.000 0.428 1093 P HA -0.238 nan 4.420 nan 0.000 0.216 1093 P C 1.047 178.329 177.300 -0.030 0.000 1.153 1093 P CA 1.898 64.972 63.100 -0.043 0.000 0.858 1093 P CB 0.190 31.865 31.700 -0.041 0.000 0.789 1094 E N 0.214 120.399 120.200 -0.026 0.000 2.285 1094 E HA 0.176 4.526 4.350 -0.000 0.000 0.194 1094 E C 1.409 178.003 176.600 -0.011 0.000 0.997 1094 E CA 0.557 56.947 56.400 -0.016 0.000 0.845 1094 E CB -1.142 28.550 29.700 -0.014 0.000 0.782 1094 E HN 0.476 nan 8.360 nan 0.000 0.491 1095 A N 0.398 123.210 122.820 -0.014 0.000 2.587 1095 A HA 0.400 4.719 4.320 -0.000 0.000 0.235 1095 A C 1.624 179.209 177.584 0.002 0.000 1.044 1095 A CA 0.839 52.873 52.037 -0.004 0.000 0.754 1095 A CB -0.239 18.755 19.000 -0.010 0.000 0.968 1095 A HN 0.723 nan 8.150 nan 0.000 0.509 1096 E N 2.251 122.457 120.200 0.010 0.000 2.106 1096 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 1096 E C 1.060 177.672 176.600 0.018 0.000 0.984 1096 E CA 1.307 57.715 56.400 0.013 0.000 0.806 1096 E CB -0.636 29.073 29.700 0.015 0.000 0.750 1096 E HN 0.949 nan 8.360 nan 0.000 0.458 1097 N N 0.830 119.545 118.700 0.024 0.000 2.378 1097 N HA -0.021 4.718 4.740 -0.000 0.000 0.243 1097 N C -0.278 175.254 175.510 0.036 0.000 1.137 1097 N CA -0.352 52.720 53.050 0.036 0.000 0.862 1097 N CB -0.509 38.007 38.487 0.048 0.000 1.116 1097 N HN 0.230 nan 8.380 nan 0.000 0.499 1098 N N 2.469 121.180 118.700 0.018 0.000 2.440 1098 N HA 0.014 4.753 4.740 -0.000 0.000 0.265 1098 N C -1.468 174.057 175.510 0.025 0.000 1.239 1098 N CA -0.630 52.423 53.050 0.005 0.000 0.909 1098 N CB 1.056 39.537 38.487 -0.011 0.000 1.066 1098 N HN 0.204 nan 8.380 nan 0.000 0.474 1099 P HA 0.130 nan 4.420 nan 0.000 0.253 1099 P C 0.296 177.624 177.300 0.047 0.000 1.281 1099 P CA 0.193 63.335 63.100 0.071 0.000 0.792 1099 P CB -0.160 31.615 31.700 0.125 0.000 1.193 1100 G N 1.284 110.094 108.800 0.018 0.000 2.225 1100 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.264 1100 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.264 1100 G C -0.078 174.816 174.900 -0.009 0.000 1.060 1100 G CA 0.053 45.157 45.100 0.007 0.000 0.833 1100 G HN 0.725 nan 8.290 nan 0.000 0.498 1101 R N -1.228 119.254 120.500 -0.031 0.000 2.668 1101 R HA 0.795 5.135 4.340 -0.000 0.000 0.272 1101 R C -2.763 173.489 176.300 -0.080 0.000 1.019 1101 R CA -1.758 54.308 56.100 -0.056 0.000 0.894 1101 R CB 1.321 31.576 30.300 -0.074 0.000 1.228 1101 R HN 0.070 nan 8.270 nan 0.000 0.460 1102 P HA 0.227 nan 4.420 nan 0.000 0.274 1102 P C -2.410 174.820 177.300 -0.117 0.000 1.260 1102 P CA -1.244 61.803 63.100 -0.087 0.000 0.793 1102 P CB -0.323 31.334 31.700 -0.072 0.000 1.048 1103 P HA 0.131 nan 4.420 nan 0.000 0.271 1103 P C -2.289 174.941 177.300 -0.117 0.000 1.238 1103 P CA -0.634 62.388 63.100 -0.131 0.000 0.794 1103 P CB -1.453 30.181 31.700 -0.110 0.000 0.959 1104 P HA 0.033 nan 4.420 nan 0.000 0.268 1104 P C 0.030 177.289 177.300 -0.068 0.000 1.204 1104 P CA 0.209 63.263 63.100 -0.077 0.000 0.768 1104 P CB -0.118 31.552 31.700 -0.051 0.000 0.842 1105 T N 0.537 115.056 114.554 -0.059 0.000 2.766 1105 T HA 0.062 4.412 4.350 -0.000 0.000 0.295 1105 T C 1.149 175.822 174.700 -0.045 0.000 1.024 1105 T CA -0.601 61.468 62.100 -0.051 0.000 1.018 1105 T CB 0.259 69.100 68.868 -0.045 0.000 1.002 1105 T HN 0.158 nan 8.240 nan 0.000 0.532 1106 L N 0.404 121.601 121.223 -0.044 0.000 2.012 1106 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 1106 L C 2.768 179.617 176.870 -0.036 0.000 1.073 1106 L CA 1.846 56.661 54.840 -0.042 0.000 0.748 1106 L CB -1.273 40.761 42.059 -0.041 0.000 0.891 1106 L HN 0.844 nan 8.230 nan 0.000 0.431 1107 Q N 0.127 119.909 119.800 -0.030 0.000 2.061 1107 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 1107 Q C 2.136 178.127 176.000 -0.016 0.000 0.984 1107 Q CA 2.373 58.163 55.803 -0.022 0.000 0.846 1107 Q CB -0.164 28.567 28.738 -0.012 0.000 0.902 1107 Q HN 0.711 nan 8.270 nan 0.000 0.421 1108 E N -0.352 119.839 120.200 -0.015 0.000 2.077 1108 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 1108 E C 2.210 178.813 176.600 0.005 0.000 0.989 1108 E CA 1.398 57.796 56.400 -0.003 0.000 0.800 1108 E CB -0.113 29.579 29.700 -0.014 0.000 0.746 1108 E HN 0.376 nan 8.360 nan 0.000 0.452 1109 M N 0.266 119.859 119.600 -0.012 0.000 2.086 1109 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 1109 M C 2.135 178.425 176.300 -0.016 0.000 1.067 1109 M CA 1.074 56.364 55.300 -0.016 0.000 1.116 1109 M CB -0.208 32.367 32.600 -0.040 0.000 1.348 1109 M HN 0.126 nan 8.290 nan 0.000 0.407 1110 I N 0.229 120.781 120.570 -0.029 0.000 2.163 1110 I HA -0.277 3.892 4.170 -0.000 0.000 0.243 1110 I C 2.481 178.570 176.117 -0.047 0.000 1.085 1110 I CA 1.669 62.944 61.300 -0.041 0.000 1.347 1110 I CB -1.548 36.417 38.000 -0.059 0.000 1.044 1110 I HN 0.354 nan 8.210 nan 0.000 0.408 1111 Q N 0.886 120.667 119.800 -0.032 0.000 2.061 1111 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 1111 Q C 2.320 178.331 176.000 0.018 0.000 0.984 1111 Q CA 1.918 57.710 55.803 -0.019 0.000 0.846 1111 Q CB -0.274 28.483 28.738 0.031 0.000 0.902 1111 Q HN 0.423 nan 8.270 nan 0.000 0.421 1112 M N -0.802 118.824 119.600 0.044 0.000 2.065 1112 M HA -0.203 4.277 4.480 -0.000 0.000 0.259 1112 M C 2.164 178.520 176.300 0.094 0.000 1.069 1112 M CA 1.687 57.032 55.300 0.075 0.000 1.110 1112 M CB -0.495 32.152 32.600 0.078 0.000 1.328 1112 M HN 0.365 nan 8.290 nan 0.000 0.405 1113 A N 0.280 123.148 122.820 0.080 0.000 1.917 1113 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 1113 A C 2.312 180.041 177.584 0.241 0.000 1.182 1113 A CA 2.224 54.365 52.037 0.174 0.000 0.633 1113 A CB -1.027 18.038 19.000 0.107 0.000 0.819 1113 A HN 0.551 nan 8.150 nan 0.000 0.448 1114 A N -0.602 122.252 122.820 0.057 0.000 1.929 1114 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 1114 A C 1.915 179.522 177.584 0.039 0.000 1.176 1114 A CA 1.520 53.535 52.037 -0.038 0.000 0.628 1114 A CB -0.446 18.348 19.000 -0.343 0.000 0.816 1114 A HN 0.632 nan 8.150 nan 0.000 0.444 1115 E N -0.165 120.041 120.200 0.009 0.000 2.072 1115 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 1115 E C 1.850 178.436 176.600 -0.023 0.000 0.985 1115 E CA 1.252 57.552 56.400 -0.166 0.000 0.801 1115 E CB -0.288 29.390 29.700 -0.038 0.000 0.750 1115 E HN 0.691 nan 8.360 nan 0.000 0.452 1116 I N 1.165 121.807 120.570 0.121 0.000 2.179 1116 I HA -0.288 3.881 4.170 -0.000 0.000 0.242 1116 I C 2.562 178.746 176.117 0.111 0.000 1.088 1116 I CA 1.072 62.483 61.300 0.186 0.000 1.357 1116 I CB -0.350 37.855 38.000 0.342 0.000 1.051 1116 I HN 0.092 nan 8.210 nan 0.000 0.409 1117 A N 0.329 123.230 122.820 0.135 0.000 1.902 1117 A HA -0.305 4.015 4.320 -0.000 0.000 0.217 1117 A C 1.995 179.592 177.584 0.023 0.000 1.181 1117 A CA 2.382 54.398 52.037 -0.036 0.000 0.623 1117 A CB -0.771 18.199 19.000 -0.049 0.000 0.818 1117 A HN 0.467 nan 8.150 nan 0.000 0.443 1118 D N -0.853 119.626 120.400 0.132 0.000 2.117 1118 D HA -0.031 4.609 4.640 -0.000 0.000 0.197 1118 D C 2.003 178.426 176.300 0.204 0.000 0.987 1118 D CA 1.646 55.809 54.000 0.272 0.000 0.829 1118 D CB -0.423 40.588 40.800 0.351 0.000 0.961 1118 D HN 0.298 nan 8.370 nan 0.000 0.460 1119 G N 0.134 109.000 108.800 0.110 0.000 2.446 1119 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 1119 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 1119 G C 1.513 176.343 174.900 -0.116 0.000 1.168 1119 G CA 0.866 45.984 45.100 0.030 0.000 0.771 1119 G HN 0.187 nan 8.290 nan 0.000 0.551 1120 M N 1.077 120.494 119.600 -0.304 0.000 2.229 1120 M HA 0.133 4.613 4.480 -0.000 0.000 0.264 1120 M C 2.964 178.961 176.300 -0.505 0.000 1.063 1120 M CA 0.955 55.858 55.300 -0.662 0.000 1.114 1120 M CB -1.157 30.432 32.600 -1.686 0.000 1.387 1120 M HN 0.325 nan 8.290 nan 0.000 0.420 1121 A N -0.720 121.975 122.820 -0.208 0.000 1.902 1121 A HA -0.227 4.092 4.320 -0.000 0.000 0.217 1121 A C 2.164 179.607 177.584 -0.235 0.000 1.181 1121 A CA 1.470 53.556 52.037 0.082 0.000 0.623 1121 A CB -1.165 18.088 19.000 0.421 0.000 0.818 1121 A HN 0.492 nan 8.150 nan 0.000 0.443 1122 Y N 0.581 120.495 120.300 -0.643 0.000 2.097 1122 Y HA -0.211 4.339 4.550 -0.001 0.000 0.282 1122 Y C 2.018 177.519 175.900 -0.665 0.000 1.152 1122 Y CA 2.079 59.494 58.100 -1.141 0.000 1.136 1122 Y CB -0.323 37.678 38.460 -0.765 0.000 0.975 1122 Y HN 0.217 nan 8.280 nan 0.000 0.498 1123 L N 0.213 121.223 121.223 -0.354 0.000 2.083 1123 L HA -0.252 4.088 4.340 -0.000 0.000 0.209 1123 L C 2.315 179.085 176.870 -0.167 0.000 1.083 1123 L CA 1.708 56.349 54.840 -0.332 0.000 0.752 1123 L CB -0.758 41.221 42.059 -0.133 0.000 0.899 1123 L HN 0.318 nan 8.230 nan 0.000 0.433 1124 N N 0.595 119.226 118.700 -0.115 0.000 2.120 1124 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 1124 N C 1.756 177.233 175.510 -0.055 0.000 1.024 1124 N CA 1.531 54.582 53.050 0.002 0.000 0.852 1124 N CB -0.054 38.507 38.487 0.123 0.000 1.003 1124 N HN 0.261 nan 8.380 nan 0.000 0.424 1125 A N 0.090 122.799 122.820 -0.185 0.000 2.070 1125 A HA -0.053 4.267 4.320 -0.000 0.000 0.220 1125 A C 1.786 179.251 177.584 -0.199 0.000 1.159 1125 A CA 1.076 53.012 52.037 -0.169 0.000 0.656 1125 A CB -0.229 18.634 19.000 -0.227 0.000 0.800 1125 A HN 0.171 nan 8.150 nan 0.000 0.453 1126 K N -0.597 119.631 120.400 -0.286 0.000 2.404 1126 K HA 0.108 4.428 4.320 -0.000 0.000 0.194 1126 K C -0.154 176.464 176.600 0.030 0.000 1.023 1126 K CA 0.228 56.422 56.287 -0.156 0.000 1.094 1126 K CB 0.092 32.447 32.500 -0.242 0.000 0.841 1126 K HN 0.550 nan 8.250 nan 0.000 0.523 1127 K N 0.020 120.437 120.400 0.030 0.000 3.160 1127 K HA -0.206 4.114 4.320 -0.000 0.000 0.280 1127 K C -0.380 176.304 176.600 0.141 0.000 1.154 1127 K CA 0.348 56.681 56.287 0.077 0.000 0.822 1127 K CB -1.753 30.785 32.500 0.063 0.000 1.239 1127 K HN 0.104 nan 8.250 nan 0.000 0.489 1128 F N 0.772 120.723 119.950 0.000 0.000 2.408 1128 F HA 0.403 4.929 4.527 -0.000 0.000 0.344 1128 F C 0.109 175.937 175.800 0.046 0.000 1.112 1128 F CA -0.816 57.206 58.000 0.036 0.000 1.096 1128 F CB 1.043 40.059 39.000 0.027 0.000 1.129 1128 F HN -0.209 nan 8.300 nan 0.000 0.486 1129 V N 6.945 126.556 119.914 -0.506 0.000 2.370 1129 V HA 0.113 4.233 4.120 -0.000 0.000 0.283 1129 V C 0.970 176.718 176.094 -0.577 0.000 1.023 1129 V CA -0.497 61.625 62.300 -0.296 0.000 0.857 1129 V CB 1.040 32.793 31.823 -0.116 0.000 0.985 1129 V HN 0.872 nan 8.190 nan 0.000 0.443 1130 H N 4.695 123.639 119.070 -0.211 0.000 2.333 1130 H HA -0.006 4.550 4.556 -0.000 0.000 0.302 1130 H C 1.719 177.005 175.328 -0.070 0.000 1.075 1130 H CA 2.084 58.110 56.048 -0.036 0.000 1.348 1130 H CB 0.398 30.277 29.762 0.195 0.000 1.393 1130 H HN 0.745 nan 8.280 nan 0.000 0.509 1131 R N -1.181 119.431 120.500 0.187 0.000 3.769 1131 R HA -0.175 4.164 4.340 -0.000 0.000 0.443 1131 R C -0.177 176.243 176.300 0.200 0.000 0.647 1131 R CA 1.475 57.582 56.100 0.013 0.000 1.563 1131 R CB -1.305 28.733 30.300 -0.436 0.000 2.174 1131 R HN 0.317 nan 8.270 nan 0.000 0.403 1132 D N 0.179 120.862 120.400 0.472 0.000 2.837 1132 D HA 0.147 4.787 4.640 -0.000 0.000 0.340 1132 D C -1.007 175.420 176.300 0.212 0.000 1.451 1132 D CA -0.407 53.816 54.000 0.370 0.000 0.798 1132 D CB 0.345 41.355 40.800 0.350 0.000 1.169 1132 D HN 0.029 nan 8.370 nan 0.000 0.449 1133 L N 1.617 122.875 121.223 0.057 0.000 2.462 1133 L HA 0.557 4.897 4.340 -0.000 0.000 0.272 1133 L C -0.399 176.499 176.870 0.047 0.000 1.166 1133 L CA 0.356 55.119 54.840 -0.128 0.000 0.880 1133 L CB 0.313 42.385 42.059 0.022 0.000 1.142 1133 L HN 0.197 nan 8.230 nan 0.000 0.473 1134 A N 3.823 126.630 122.820 -0.022 0.000 2.583 1134 A HA 0.643 4.963 4.320 -0.000 0.000 0.292 1134 A C 0.442 178.041 177.584 0.026 0.000 1.045 1134 A CA -0.176 51.811 52.037 -0.083 0.000 0.672 1134 A CB 0.001 18.537 19.000 -0.773 0.000 1.283 1134 A HN 1.126 nan 8.150 nan 0.000 0.419 1135 A N 0.729 123.617 122.820 0.113 0.000 1.940 1135 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 1135 A C 1.927 179.560 177.584 0.081 0.000 1.176 1135 A CA 2.178 54.285 52.037 0.116 0.000 0.631 1135 A CB -0.647 18.438 19.000 0.142 0.000 0.814 1135 A HN 1.203 nan 8.150 nan 0.000 0.446 1136 R N -1.094 119.389 120.500 -0.028 0.000 2.237 1136 R HA -0.009 4.331 4.340 -0.000 0.000 0.219 1136 R C 0.942 177.383 176.300 0.235 0.000 1.080 1136 R CA 1.518 57.630 56.100 0.020 0.000 0.995 1136 R CB -0.381 29.844 30.300 -0.125 0.000 0.875 1136 R HN 0.362 nan 8.270 nan 0.000 0.462 1137 N N 0.129 118.963 118.700 0.223 0.000 2.282 1137 N HA 0.077 4.817 4.740 -0.000 0.000 0.185 1137 N C -0.351 175.317 175.510 0.264 0.000 1.099 1137 N CA 0.066 53.326 53.050 0.350 0.000 0.878 1137 N CB 0.385 39.040 38.487 0.279 0.000 0.993 1137 N HN 0.132 nan 8.380 nan 0.000 0.481 1138 C N 1.879 121.300 119.300 0.202 0.000 2.593 1138 C HA 0.427 4.887 4.460 -0.000 0.000 0.409 1138 C C 0.733 175.847 174.990 0.206 0.000 1.304 1138 C CA -0.524 58.594 59.018 0.166 0.000 2.007 1138 C CB -0.505 27.321 27.740 0.144 0.000 2.614 1138 C HN 0.236 nan 8.230 nan 0.000 0.585 1139 M N 2.266 121.953 119.600 0.145 0.000 2.644 1139 M HA 0.571 5.051 4.480 -0.000 0.000 0.316 1139 M C -0.908 175.443 176.300 0.086 0.000 1.200 1139 M CA -0.574 54.812 55.300 0.144 0.000 0.944 1139 M CB 1.709 34.354 32.600 0.075 0.000 1.691 1139 M HN 0.301 nan 8.290 nan 0.000 0.471 1140 V N 1.581 121.538 119.914 0.071 0.000 2.378 1140 V HA 0.591 4.710 4.120 -0.000 0.000 0.288 1140 V C 0.245 176.332 176.094 -0.012 0.000 1.016 1140 V CA -0.797 61.501 62.300 -0.004 0.000 0.840 1140 V CB 1.035 32.792 31.823 -0.111 0.000 0.994 1140 V HN 1.021 nan 8.190 nan 0.000 0.431 1141 A N 2.503 125.299 122.820 -0.039 0.000 2.251 1141 A HA 0.330 4.650 4.320 -0.000 0.000 0.278 1141 A C 1.272 178.823 177.584 -0.055 0.000 1.206 1141 A CA 0.397 52.410 52.037 -0.041 0.000 0.822 1141 A CB -0.143 18.831 19.000 -0.044 0.000 1.187 1141 A HN 1.036 nan 8.150 nan 0.000 0.504 1142 H N -0.336 118.648 119.070 -0.142 0.000 2.387 1142 H HA -0.135 4.421 4.556 -0.000 0.000 0.299 1142 H C 1.096 176.258 175.328 -0.277 0.000 1.090 1142 H CA 2.416 58.356 56.048 -0.179 0.000 1.332 1142 H CB 0.083 29.762 29.762 -0.139 0.000 1.386 1142 H HN 0.738 nan 8.280 nan 0.000 0.516 1143 D N -1.301 118.984 120.400 -0.192 0.000 2.328 1143 D HA -0.076 4.564 4.640 -0.000 0.000 0.226 1143 D C 0.155 176.457 176.300 0.005 0.000 1.066 1143 D CA -0.058 53.870 54.000 -0.121 0.000 0.861 1143 D CB -0.821 39.995 40.800 0.028 0.000 0.912 1143 D HN 0.458 nan 8.370 nan 0.000 0.521 1144 F N -1.056 118.840 119.950 -0.090 0.000 2.746 1144 F HA -0.234 4.293 4.527 -0.000 0.000 0.315 1144 F C 0.287 176.041 175.800 -0.076 0.000 0.666 1144 F CA 0.663 58.562 58.000 -0.168 0.000 1.381 1144 F CB -2.727 36.138 39.000 -0.225 0.000 1.739 1144 F HN -0.134 nan 8.300 nan 0.000 0.322 1145 T N 1.720 116.327 114.554 0.087 0.000 2.888 1145 T HA 0.433 4.783 4.350 -0.000 0.000 0.301 1145 T C 0.514 175.265 174.700 0.084 0.000 1.001 1145 T CA -0.203 61.967 62.100 0.117 0.000 1.147 1145 T CB 1.338 70.276 68.868 0.117 0.000 0.931 1145 T HN 0.053 nan 8.240 nan 0.000 0.541 1146 V N 4.834 124.823 119.914 0.124 0.000 2.472 1146 V HA 0.467 4.587 4.120 -0.000 0.000 0.290 1146 V C 0.210 176.379 176.094 0.125 0.000 1.037 1146 V CA -0.594 61.769 62.300 0.105 0.000 0.908 1146 V CB 1.352 33.243 31.823 0.112 0.000 0.985 1146 V HN 0.764 nan 8.190 nan 0.000 0.454 1147 K N 3.978 124.428 120.400 0.083 0.000 2.435 1147 K HA 0.593 4.913 4.320 -0.000 0.000 0.251 1147 K C -1.246 175.389 176.600 0.058 0.000 0.954 1147 K CA -0.975 55.351 56.287 0.066 0.000 0.820 1147 K CB 2.474 34.968 32.500 -0.011 0.000 1.292 1147 K HN 0.362 nan 8.250 nan 0.000 0.436 1148 I N 2.368 122.967 120.570 0.049 0.000 2.533 1148 I HA 0.152 4.322 4.170 -0.000 0.000 0.284 1148 I C 0.848 177.001 176.117 0.060 0.000 1.109 1148 I CA 0.568 61.904 61.300 0.059 0.000 1.412 1148 I CB 0.030 38.059 38.000 0.049 0.000 1.396 1148 I HN 0.792 nan 8.210 nan 0.000 0.543 1149 G N 4.888 113.748 108.800 0.100 0.000 3.015 1149 G HA2 0.535 4.495 3.960 -0.000 0.000 0.281 1149 G HA3 0.535 4.495 3.960 -0.000 0.000 0.281 1149 G C -1.663 173.354 174.900 0.196 0.000 1.386 1149 G CA -0.224 44.902 45.100 0.044 0.000 0.959 1149 G HN 0.477 nan 8.290 nan 0.000 0.522 1150 D N -1.028 119.390 120.400 0.029 0.000 2.470 1150 D HA 0.304 4.944 4.640 -0.000 0.000 0.233 1150 D C -0.081 176.224 176.300 0.009 0.000 1.372 1150 D CA -0.640 53.431 54.000 0.119 0.000 0.994 1150 D CB 1.163 41.992 40.800 0.048 0.000 1.377 1150 D HN 0.060 nan 8.370 nan 0.000 0.586 1151 F N 2.165 122.187 119.950 0.119 0.000 2.206 1151 F HA 0.152 4.679 4.527 -0.000 0.000 0.298 1151 F C 2.262 178.098 175.800 0.059 0.000 1.090 1151 F CA 1.286 59.338 58.000 0.087 0.000 1.323 1151 F CB -0.340 38.719 39.000 0.098 0.000 1.028 1151 F HN 0.597 nan 8.300 nan 0.000 0.492 1152 G N 1.089 110.029 108.800 0.233 0.000 2.632 1152 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.322 1152 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.322 1152 G C 0.962 175.898 174.900 0.061 0.000 1.326 1152 G CA 0.595 45.752 45.100 0.095 0.000 0.986 1152 G HN 0.243 nan 8.290 nan 0.000 0.541 1153 M N 0.475 120.095 119.600 0.033 0.000 2.703 1153 M HA -0.049 4.431 4.480 -0.000 0.000 0.253 1153 M C 2.265 178.588 176.300 0.038 0.000 1.060 1153 M CA 1.677 56.986 55.300 0.015 0.000 1.059 1153 M CB -0.624 31.986 32.600 0.016 0.000 1.399 1153 M HN 0.459 nan 8.290 nan 0.000 0.526 1154 T N -0.662 113.948 114.554 0.093 0.000 3.044 1154 T HA 0.066 4.416 4.350 -0.000 0.000 0.255 1154 T C 0.841 175.600 174.700 0.097 0.000 1.073 1154 T CA -0.091 62.078 62.100 0.116 0.000 1.125 1154 T CB 0.086 69.074 68.868 0.199 0.000 0.908 1154 T HN 0.381 nan 8.240 nan 0.000 0.480 1155 R N 2.622 123.179 120.500 0.094 0.000 2.619 1155 R HA -0.051 4.289 4.340 -0.000 0.000 0.268 1155 R C -0.148 176.130 176.300 -0.036 0.000 0.990 1155 R CA 1.132 57.241 56.100 0.014 0.000 1.092 1155 R CB 0.260 30.574 30.300 0.024 0.000 0.935 1155 R HN 0.285 nan 8.270 nan 0.000 0.415 1156 D N 4.247 124.593 120.400 -0.090 0.000 2.822 1156 D HA 0.053 4.693 4.640 -0.000 0.000 0.327 1156 D C 0.285 176.499 176.300 -0.144 0.000 1.577 1156 D CA -0.223 53.721 54.000 -0.093 0.000 0.785 1156 D CB -0.340 40.411 40.800 -0.081 0.000 1.199 1156 D HN 0.564 nan 8.370 nan 0.000 0.443 1157 I N -1.469 118.987 120.570 -0.190 0.000 3.486 1157 I HA 0.188 4.357 4.170 -0.000 0.000 0.263 1157 I C -0.420 175.554 176.117 -0.239 0.000 1.088 1157 I CA -0.219 60.885 61.300 -0.326 0.000 1.548 1157 I CB 0.582 38.201 38.000 -0.635 0.000 1.776 1157 I HN -0.259 nan 8.210 nan 0.000 0.397 1158 Y N 3.076 123.400 120.300 0.040 0.000 3.007 1158 Y HA 0.312 4.861 4.550 -0.000 0.000 0.390 1158 Y C 2.012 178.020 175.900 0.179 0.000 1.065 1158 Y CA 0.515 58.667 58.100 0.087 0.000 1.845 1158 Y CB -1.318 37.173 38.460 0.052 0.000 1.828 1158 Y HN 0.387 nan 8.280 nan 0.000 0.458 1159 E N -0.182 120.166 120.200 0.246 0.000 2.118 1159 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 1159 E C 2.077 178.864 176.600 0.312 0.000 0.992 1159 E CA 1.839 58.398 56.400 0.265 0.000 0.804 1159 E CB -1.036 28.750 29.700 0.143 0.000 0.741 1159 E HN 0.555 nan 8.360 nan 0.000 0.458 1160 T N -1.828 112.875 114.554 0.248 0.000 3.098 1160 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 1160 T C 0.832 175.666 174.700 0.222 0.000 1.145 1160 T CA 1.092 63.325 62.100 0.221 0.000 1.092 1160 T CB -0.136 68.839 68.868 0.178 0.000 0.908 1160 T HN 0.288 nan 8.240 nan 0.000 0.526 1161 D N 0.218 120.736 120.400 0.197 0.000 2.349 1161 D HA 0.163 4.803 4.640 -0.000 0.000 0.224 1161 D C -0.652 175.493 176.300 -0.258 0.000 1.029 1161 D CA 0.405 54.402 54.000 -0.004 0.000 0.879 1161 D CB -0.038 40.583 40.800 -0.298 0.000 0.906 1161 D HN 0.564 nan 8.370 nan 0.000 0.528 1162 Y N -0.783 119.646 120.300 0.215 0.000 2.425 1162 Y HA 0.400 4.950 4.550 -0.000 0.000 0.344 1162 Y C -0.791 175.273 175.900 0.272 0.000 0.969 1162 Y CA -1.373 56.856 58.100 0.214 0.000 1.052 1162 Y CB 1.446 39.991 38.460 0.141 0.000 1.215 1162 Y HN -0.234 nan 8.280 nan 0.000 0.451 1163 Y N 2.525 122.977 120.300 0.254 0.000 2.425 1163 Y HA 0.524 5.074 4.550 -0.000 0.000 0.344 1163 Y C -0.544 175.445 175.900 0.148 0.000 0.969 1163 Y CA -2.066 56.134 58.100 0.168 0.000 1.052 1163 Y CB 1.532 40.067 38.460 0.125 0.000 1.215 1163 Y HN 0.665 nan 8.280 nan 0.000 0.451 1164 R N 4.535 124.767 120.500 -0.448 0.000 2.870 1164 R HA 0.433 4.773 4.340 -0.000 0.000 0.254 1164 R C 0.056 175.931 176.300 -0.710 0.000 1.392 1164 R CA -0.015 55.844 56.100 -0.401 0.000 1.322 1164 R CB -0.513 29.666 30.300 -0.201 0.000 1.205 1164 R HN 0.817 nan 8.270 nan 0.000 0.597 1169 G N 0.277 109.067 108.800 -0.015 0.000 2.507 1169 G HA2 0.545 4.505 3.960 -0.000 0.000 0.271 1169 G HA3 0.545 4.505 3.960 -0.000 0.000 0.271 1169 G C 0.060 174.963 174.900 0.006 0.000 1.189 1169 G CA -0.497 44.600 45.100 -0.005 0.000 0.859 1169 G HN 0.629 nan 8.290 nan 0.000 0.542 1170 L N 0.258 121.490 121.223 0.016 0.000 2.499 1170 L HA 0.257 4.597 4.340 -0.000 0.000 0.273 1170 L C -0.025 176.949 176.870 0.173 0.000 1.195 1170 L CA 0.279 55.163 54.840 0.075 0.000 0.882 1170 L CB 0.321 42.384 42.059 0.007 0.000 1.133 1170 L HN 0.191 nan 8.230 nan 0.000 0.483 1171 L N 5.780 127.176 121.223 0.289 0.000 2.431 1171 L HA 0.398 4.738 4.340 -0.000 0.000 0.266 1171 L C -2.226 174.887 176.870 0.405 0.000 0.978 1171 L CA -1.626 53.422 54.840 0.347 0.000 0.822 1171 L CB 2.794 45.017 42.059 0.272 0.000 1.310 1171 L HN 0.371 nan 8.230 nan 0.000 0.409 1172 P HA 0.008 nan 4.420 nan 0.000 0.230 1172 P C 1.076 178.583 177.300 0.345 0.000 1.791 1172 P CA -0.181 63.013 63.100 0.157 0.000 1.020 1172 P CB 0.156 31.882 31.700 0.044 0.000 1.977 1173 V N 1.257 121.355 119.914 0.306 0.000 2.380 1173 V HA -0.265 3.855 4.120 -0.000 0.000 0.251 1173 V C 2.040 178.252 176.094 0.196 0.000 1.063 1173 V CA 1.388 63.828 62.300 0.234 0.000 1.055 1173 V CB -1.434 30.504 31.823 0.193 0.000 0.657 1173 V HN 0.188 nan 8.190 nan 0.000 0.455 1174 R N -1.192 119.461 120.500 0.255 0.000 2.280 1174 R HA 0.051 4.390 4.340 -0.000 0.000 0.207 1174 R C 1.827 178.113 176.300 -0.025 0.000 1.043 1174 R CA 1.335 57.480 56.100 0.074 0.000 1.006 1174 R CB -0.192 30.026 30.300 -0.136 0.000 0.885 1174 R HN 0.641 nan 8.270 nan 0.000 0.467 1175 W N -0.156 121.262 121.300 0.196 0.000 3.127 1175 W HA 0.283 4.943 4.660 -0.000 0.000 0.344 1175 W C 0.180 176.917 176.519 0.364 0.000 1.151 1175 W CA -0.496 57.019 57.345 0.284 0.000 1.765 1175 W CB 0.312 29.898 29.460 0.211 0.000 1.085 1175 W HN 0.003 nan 8.180 nan 0.000 0.596 1176 M N 0.560 120.374 119.600 0.357 0.000 2.249 1176 M HA 0.374 4.854 4.480 -0.000 0.000 0.351 1176 M C 0.638 176.652 176.300 -0.478 0.000 1.180 1176 M CA -0.209 55.145 55.300 0.091 0.000 1.127 1176 M CB 1.314 33.960 32.600 0.076 0.000 1.546 1176 M HN -0.257 nan 8.290 nan 0.000 0.461 1177 A N 4.853 127.230 122.820 -0.740 0.000 2.425 1177 A HA 0.286 4.606 4.320 -0.000 0.000 0.242 1177 A C -1.600 175.419 177.584 -0.943 0.000 1.077 1177 A CA -1.184 50.046 52.037 -1.345 0.000 0.781 1177 A CB -0.476 18.118 19.000 -0.677 0.000 1.020 1177 A HN 0.669 nan 8.150 nan 0.000 0.494 1178 P HA -0.225 nan 4.420 nan 0.000 0.216 1178 P C 1.076 178.076 177.300 -0.499 0.000 1.150 1178 P CA 1.726 64.436 63.100 -0.651 0.000 0.837 1178 P CB 0.049 31.317 31.700 -0.720 0.000 0.786 1179 E N 0.153 120.032 120.200 -0.536 0.000 2.152 1179 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 1179 E C 1.797 178.179 176.600 -0.363 0.000 0.983 1179 E CA 1.046 57.217 56.400 -0.381 0.000 0.818 1179 E CB -1.091 28.409 29.700 -0.333 0.000 0.758 1179 E HN 0.137 nan 8.360 nan 0.000 0.467 1180 S N 1.428 116.845 115.700 -0.471 0.000 2.356 1180 S HA -0.020 4.450 4.470 -0.000 0.000 0.223 1180 S C 2.160 176.514 174.600 -0.410 0.000 1.032 1180 S CA 1.072 58.897 58.200 -0.625 0.000 1.005 1180 S CB -0.306 62.392 63.200 -0.836 0.000 0.867 1180 S HN 0.215 nan 8.310 nan 0.000 0.449 1181 L N 1.104 122.139 121.223 -0.312 0.000 2.083 1181 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 1181 L C 2.580 179.370 176.870 -0.133 0.000 1.083 1181 L CA 1.257 55.991 54.840 -0.177 0.000 0.752 1181 L CB -0.368 41.587 42.059 -0.173 0.000 0.899 1181 L HN 0.267 nan 8.230 nan 0.000 0.433 1182 K N -0.244 120.059 120.400 -0.161 0.000 2.021 1182 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 1182 K C 1.196 177.742 176.600 -0.091 0.000 1.047 1182 K CA 1.480 57.704 56.287 -0.106 0.000 0.943 1182 K CB 0.209 32.648 32.500 -0.101 0.000 0.725 1182 K HN 0.264 nan 8.250 nan 0.000 0.439 1183 D N -1.646 118.679 120.400 -0.125 0.000 2.417 1183 D HA 0.092 4.732 4.640 -0.000 0.000 0.207 1183 D C 0.744 176.992 176.300 -0.087 0.000 1.075 1183 D CA 0.783 54.727 54.000 -0.092 0.000 0.851 1183 D CB 1.134 41.878 40.800 -0.094 0.000 0.976 1183 D HN 0.506 nan 8.370 nan 0.000 0.505 1184 G N 1.494 110.210 108.800 -0.140 0.000 2.148 1184 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.254 1184 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.254 1184 G C 0.423 175.243 174.900 -0.133 0.000 0.981 1184 G CA 0.182 45.225 45.100 -0.096 0.000 0.670 1184 G HN 0.284 nan 8.290 nan 0.000 0.528 1185 V N 0.718 120.484 119.914 -0.247 0.000 2.470 1185 V HA 0.553 4.673 4.120 -0.000 0.000 0.276 1185 V C 0.170 176.045 176.094 -0.364 0.000 1.040 1185 V CA 0.213 62.406 62.300 -0.178 0.000 1.008 1185 V CB 0.536 32.275 31.823 -0.140 0.000 0.990 1185 V HN 0.229 nan 8.190 nan 0.000 0.477 1186 F N 3.602 123.547 119.950 -0.008 0.000 2.493 1186 F HA 0.665 5.192 4.527 -0.000 0.000 0.329 1186 F C 0.497 176.303 175.800 0.010 0.000 1.126 1186 F CA -0.401 57.604 58.000 0.007 0.000 0.937 1186 F CB 2.232 41.239 39.000 0.012 0.000 1.146 1186 F HN 0.577 nan 8.300 nan 0.000 0.442 1187 T N -2.223 112.445 114.554 0.188 0.000 2.804 1187 T HA 0.211 4.560 4.350 -0.000 0.000 0.290 1187 T C 0.658 175.464 174.700 0.178 0.000 1.099 1187 T CA -0.422 61.760 62.100 0.137 0.000 1.011 1187 T CB 1.473 70.388 68.868 0.078 0.000 1.291 1187 T HN 0.421 nan 8.240 nan 0.000 0.523 1188 T N 0.253 114.906 114.554 0.165 0.000 2.881 1188 T HA -0.070 4.280 4.350 -0.000 0.000 0.270 1188 T C 1.901 176.729 174.700 0.214 0.000 1.068 1188 T CA 2.091 64.335 62.100 0.239 0.000 1.131 1188 T CB -0.947 68.059 68.868 0.230 0.000 0.871 1188 T HN 0.597 nan 8.240 nan 0.000 0.479 1189 S N 0.990 116.768 115.700 0.131 0.000 2.383 1189 S HA -0.080 4.389 4.470 -0.000 0.000 0.227 1189 S C 2.381 177.080 174.600 0.165 0.000 1.026 1189 S CA 1.388 59.645 58.200 0.094 0.000 0.981 1189 S CB -0.299 62.933 63.200 0.054 0.000 0.818 1189 S HN 0.821 nan 8.310 nan 0.000 0.472 1190 S N 1.659 117.464 115.700 0.175 0.000 2.428 1190 S HA -0.063 4.407 4.470 -0.000 0.000 0.230 1190 S C 1.241 176.070 174.600 0.382 0.000 1.014 1190 S CA 0.816 59.151 58.200 0.225 0.000 0.957 1190 S CB -0.376 62.878 63.200 0.089 0.000 0.784 1190 S HN 0.275 nan 8.310 nan 0.000 0.499 1191 D N 1.458 122.091 120.400 0.390 0.000 2.144 1191 D HA -0.030 4.610 4.640 -0.000 0.000 0.199 1191 D C 1.754 178.395 176.300 0.569 0.000 0.984 1191 D CA 1.099 55.395 54.000 0.494 0.000 0.834 1191 D CB -0.379 40.734 40.800 0.523 0.000 0.955 1191 D HN 0.372 nan 8.370 nan 0.000 0.465 1192 M N -0.008 119.799 119.600 0.345 0.000 2.159 1192 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 1192 M C 1.833 178.314 176.300 0.302 0.000 1.063 1192 M CA 1.217 56.565 55.300 0.081 0.000 1.110 1192 M CB -0.618 31.844 32.600 -0.229 0.000 1.374 1192 M HN 0.233 nan 8.290 nan 0.000 0.411 1193 W N 0.392 121.820 121.300 0.213 0.000 2.333 1193 W HA -0.212 4.448 4.660 -0.000 0.000 0.316 1193 W C 1.941 178.716 176.519 0.427 0.000 1.215 1193 W CA 2.139 59.675 57.345 0.317 0.000 1.278 1193 W CB -1.068 28.539 29.460 0.246 0.000 1.154 1193 W HN 0.269 nan 8.180 nan 0.000 0.486 1194 S N 0.751 116.884 115.700 0.722 0.000 2.370 1194 S HA -0.243 4.227 4.470 -0.000 0.000 0.226 1194 S C 1.554 176.475 174.600 0.535 0.000 1.033 1194 S CA 1.639 60.235 58.200 0.661 0.000 1.011 1194 S CB -1.099 62.468 63.200 0.612 0.000 0.852 1194 S HN 0.345 nan 8.310 nan 0.000 0.457 1195 F N 2.668 122.836 119.950 0.363 0.000 2.161 1195 F HA -0.099 4.428 4.527 -0.000 0.000 0.300 1195 F C 2.233 178.131 175.800 0.164 0.000 1.089 1195 F CA 1.280 59.454 58.000 0.291 0.000 1.282 1195 F CB -0.977 38.240 39.000 0.362 0.000 1.010 1195 F HN 0.215 nan 8.300 nan 0.000 0.485 1196 G N 0.007 108.860 108.800 0.088 0.000 2.446 1196 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 1196 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 1196 G C 1.712 176.683 174.900 0.118 0.000 1.168 1196 G CA 1.393 46.346 45.100 -0.245 0.000 0.771 1196 G HN 0.353 nan 8.290 nan 0.000 0.551 1197 V N 0.518 120.658 119.914 0.376 0.000 2.515 1197 V HA -0.146 3.974 4.120 -0.000 0.000 0.250 1197 V C 3.009 179.290 176.094 0.312 0.000 1.058 1197 V CA 1.316 63.799 62.300 0.305 0.000 1.064 1197 V CB -0.293 31.527 31.823 -0.005 0.000 0.675 1197 V HN 0.250 nan 8.190 nan 0.000 0.461 1198 V N -0.027 120.032 119.914 0.242 0.000 2.343 1198 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 1198 V C 2.332 178.422 176.094 -0.007 0.000 1.051 1198 V CA 1.916 64.308 62.300 0.153 0.000 1.036 1198 V CB -0.570 31.300 31.823 0.080 0.000 0.654 1198 V HN 0.451 nan 8.190 nan 0.000 0.451 1199 L N -1.581 119.521 121.223 -0.203 0.000 2.046 1199 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 1199 L C 2.321 179.183 176.870 -0.014 0.000 1.077 1199 L CA 2.207 56.923 54.840 -0.207 0.000 0.747 1199 L CB -0.554 41.296 42.059 -0.349 0.000 0.896 1199 L HN 0.531 nan 8.230 nan 0.000 0.432 1200 W N 1.396 122.664 121.300 -0.054 0.000 2.358 1200 W HA -0.186 4.474 4.660 -0.000 0.000 0.303 1200 W C 2.430 178.936 176.519 -0.021 0.000 1.208 1200 W CA 1.587 58.940 57.345 0.014 0.000 1.274 1200 W CB 0.020 29.556 29.460 0.126 0.000 1.138 1200 W HN 0.075 nan 8.180 nan 0.000 0.515 1201 E N 0.189 120.550 120.200 0.268 0.000 2.058 1201 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 1201 E C 2.117 178.678 176.600 -0.066 0.000 0.997 1201 E CA 1.969 58.440 56.400 0.119 0.000 0.801 1201 E CB -0.526 29.346 29.700 0.286 0.000 0.746 1201 E HN 0.365 nan 8.360 nan 0.000 0.450 1202 I N 1.046 121.594 120.570 -0.037 0.000 2.163 1202 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 1202 I C 2.675 178.710 176.117 -0.137 0.000 1.085 1202 I CA 1.703 62.966 61.300 -0.062 0.000 1.347 1202 I CB -0.479 37.494 38.000 -0.045 0.000 1.044 1202 I HN 0.233 nan 8.210 nan 0.000 0.408 1203 T N -3.087 111.349 114.554 -0.196 0.000 3.113 1203 T HA 0.013 4.363 4.350 -0.000 0.000 0.256 1203 T C 1.378 175.881 174.700 -0.329 0.000 1.131 1203 T CA 0.741 62.703 62.100 -0.230 0.000 1.074 1203 T CB -0.210 68.536 68.868 -0.204 0.000 0.944 1203 T HN 0.411 nan 8.240 nan 0.000 0.516 1204 S N 0.593 116.021 115.700 -0.453 0.000 2.629 1204 S HA 0.368 4.838 4.470 -0.000 0.000 0.236 1204 S C 0.717 175.117 174.600 -0.333 0.000 1.010 1204 S CA -0.563 57.323 58.200 -0.523 0.000 0.981 1204 S CB -0.629 61.940 63.200 -1.052 0.000 0.919 1204 S HN 0.466 nan 8.310 nan 0.000 0.514 1205 L N 0.788 121.871 121.223 -0.233 0.000 3.634 1205 L HA -0.261 4.079 4.340 -0.000 0.000 0.423 1205 L C 0.764 177.572 176.870 -0.103 0.000 1.253 1205 L CA 0.077 54.829 54.840 -0.147 0.000 0.885 1205 L CB -2.461 39.518 42.059 -0.132 0.000 1.789 1205 L HN 0.840 nan 8.230 nan 0.000 0.904 1206 A N -0.818 121.947 122.820 -0.093 0.000 2.610 1206 A HA -0.205 4.114 4.320 -0.000 0.000 0.299 1206 A C 0.796 178.409 177.584 0.048 0.000 1.487 1206 A CA 1.652 53.700 52.037 0.019 0.000 0.743 1206 A CB -1.142 17.881 19.000 0.040 0.000 1.070 1206 A HN 0.695 nan 8.150 nan 0.000 0.439 1207 E N 0.210 120.414 120.200 0.006 0.000 2.391 1207 E HA 0.248 4.597 4.350 -0.000 0.000 0.255 1207 E C 0.383 177.152 176.600 0.283 0.000 1.187 1207 E CA -0.537 55.929 56.400 0.110 0.000 0.941 1207 E CB 0.251 29.990 29.700 0.065 0.000 1.010 1207 E HN 0.568 nan 8.360 nan 0.000 0.458 1208 Q N 1.593 121.517 119.800 0.207 0.000 2.293 1208 Q HA 0.181 4.521 4.340 -0.000 0.000 0.263 1208 Q C -2.229 173.769 176.000 -0.002 0.000 1.002 1208 Q CA -1.782 54.100 55.803 0.132 0.000 0.910 1208 Q CB 0.293 29.088 28.738 0.096 0.000 1.185 1208 Q HN 0.189 nan 8.270 nan 0.000 0.401 1209 P HA -0.041 nan 4.420 nan 0.000 0.268 1209 P C -0.996 175.945 177.300 -0.599 0.000 1.204 1209 P CA 0.073 62.552 63.100 -1.035 0.000 0.768 1209 P CB 0.137 31.050 31.700 -1.312 0.000 0.842 1210 Y N -0.201 119.812 120.300 -0.479 0.000 3.477 1210 Y HA -0.284 4.266 4.550 -0.000 0.000 0.216 1210 Y C 1.885 177.651 175.900 -0.224 0.000 1.296 1210 Y CA 0.880 58.776 58.100 -0.339 0.000 1.535 1210 Y CB -2.912 35.351 38.460 -0.328 0.000 1.482 1210 Y HN 0.453 nan 8.280 nan 0.000 0.597 1211 Q N 1.040 120.794 119.800 -0.076 0.000 2.103 1211 Q HA -0.233 4.107 4.340 -0.000 0.000 0.213 1211 Q C 2.253 178.234 176.000 -0.032 0.000 1.008 1211 Q CA 2.320 58.110 55.803 -0.021 0.000 0.879 1211 Q CB -0.507 28.240 28.738 0.015 0.000 0.946 1211 Q HN 0.768 nan 8.270 nan 0.000 0.413 1212 G N -0.024 108.741 108.800 -0.059 0.000 3.026 1212 G HA2 0.218 4.177 3.960 -0.000 0.000 0.208 1212 G HA3 0.218 4.177 3.960 -0.000 0.000 0.208 1212 G C 0.033 174.875 174.900 -0.096 0.000 1.169 1212 G CA -0.257 44.801 45.100 -0.070 0.000 0.788 1212 G HN 0.175 nan 8.290 nan 0.000 0.533 1213 L N 1.451 122.611 121.223 -0.105 0.000 2.329 1213 L HA 0.413 4.753 4.340 -0.000 0.000 0.279 1213 L C 0.710 177.513 176.870 -0.111 0.000 1.014 1213 L CA -0.917 53.842 54.840 -0.134 0.000 0.814 1213 L CB 2.014 43.950 42.059 -0.205 0.000 1.257 1213 L HN 0.123 nan 8.230 nan 0.000 0.424 1214 S N 0.990 116.619 115.700 -0.118 0.000 2.589 1214 S HA 0.103 4.572 4.470 -0.000 0.000 0.265 1214 S C 0.897 175.377 174.600 -0.201 0.000 1.342 1214 S CA -0.556 57.563 58.200 -0.135 0.000 1.005 1214 S CB 0.744 63.872 63.200 -0.121 0.000 0.909 1214 S HN 0.633 nan 8.310 nan 0.000 0.555 1215 N N 1.452 119.968 118.700 -0.306 0.000 2.104 1215 N HA -0.123 4.616 4.740 -0.000 0.000 0.190 1215 N C 1.602 176.840 175.510 -0.453 0.000 1.024 1215 N CA 1.468 54.216 53.050 -0.502 0.000 0.853 1215 N CB -0.540 37.300 38.487 -1.079 0.000 1.008 1215 N HN 0.670 nan 8.380 nan 0.000 0.424 1216 E N 1.157 121.130 120.200 -0.379 0.000 2.110 1216 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 1216 E C 1.920 178.454 176.600 -0.110 0.000 0.988 1216 E CA 0.754 57.057 56.400 -0.162 0.000 0.804 1216 E CB -0.133 29.524 29.700 -0.072 0.000 0.745 1216 E HN 0.533 nan 8.360 nan 0.000 0.458 1217 Q N 0.153 119.875 119.800 -0.130 0.000 2.079 1217 Q HA -0.089 4.250 4.340 -0.000 0.000 0.200 1217 Q C 2.389 178.318 176.000 -0.119 0.000 0.974 1217 Q CA 1.017 56.756 55.803 -0.108 0.000 0.840 1217 Q CB 0.017 28.679 28.738 -0.128 0.000 0.898 1217 Q HN 0.077 nan 8.270 nan 0.000 0.430 1218 V N 1.444 121.244 119.914 -0.190 0.000 2.252 1218 V HA -0.321 3.798 4.120 -0.000 0.000 0.249 1218 V C 2.246 178.227 176.094 -0.188 0.000 1.056 1218 V CA 1.803 63.936 62.300 -0.278 0.000 1.022 1218 V CB -0.690 30.941 31.823 -0.321 0.000 0.641 1218 V HN 0.371 nan 8.190 nan 0.000 0.445 1219 L N -0.547 120.602 121.223 -0.123 0.000 1.997 1219 L HA -0.304 4.036 4.340 -0.000 0.000 0.216 1219 L C 2.597 179.433 176.870 -0.057 0.000 1.074 1219 L CA 2.202 56.999 54.840 -0.072 0.000 0.763 1219 L CB -0.846 41.206 42.059 -0.011 0.000 0.890 1219 L HN 0.303 nan 8.230 nan 0.000 0.434 1220 K N -0.668 119.715 120.400 -0.029 0.000 2.002 1220 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 1220 K C 2.054 178.663 176.600 0.015 0.000 1.048 1220 K CA 1.699 57.983 56.287 -0.004 0.000 0.930 1220 K CB -0.420 32.085 32.500 0.008 0.000 0.714 1220 K HN 0.055 nan 8.250 nan 0.000 0.438 1221 F N 1.520 121.380 119.950 -0.151 0.000 2.069 1221 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 1221 F C 1.970 177.690 175.800 -0.134 0.000 1.113 1221 F CA 1.318 59.222 58.000 -0.159 0.000 1.214 1221 F CB -0.376 38.486 39.000 -0.230 0.000 0.978 1221 F HN -0.263 nan 8.300 nan 0.000 0.474 1222 V N 0.522 120.317 119.914 -0.198 0.000 2.358 1222 V HA -0.317 3.802 4.120 -0.000 0.000 0.246 1222 V C 2.457 178.479 176.094 -0.119 0.000 1.047 1222 V CA 2.053 64.218 62.300 -0.225 0.000 1.035 1222 V CB -0.606 31.079 31.823 -0.230 0.000 0.658 1222 V HN 0.375 nan 8.190 nan 0.000 0.452 1223 M N -0.245 119.300 119.600 -0.092 0.000 2.279 1223 M HA -0.164 4.316 4.480 -0.000 0.000 0.264 1223 M C 1.859 178.209 176.300 0.085 0.000 1.062 1223 M CA 1.606 56.905 55.300 -0.001 0.000 1.099 1223 M CB -0.475 32.106 32.600 -0.032 0.000 1.394 1223 M HN 0.313 nan 8.290 nan 0.000 0.426 1224 D N -0.615 119.766 120.400 -0.031 0.000 2.323 1224 D HA 0.012 4.652 4.640 -0.000 0.000 0.209 1224 D C 1.290 177.492 176.300 -0.163 0.000 0.973 1224 D CA 1.415 55.362 54.000 -0.089 0.000 0.874 1224 D CB 0.299 41.038 40.800 -0.102 0.000 0.930 1224 D HN 0.468 nan 8.370 nan 0.000 0.521 1225 G N -1.247 107.491 108.800 -0.104 0.000 2.234 1225 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.153 1225 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.153 1225 G C 0.651 175.468 174.900 -0.138 0.000 1.013 1225 G CA -0.057 45.003 45.100 -0.066 0.000 0.712 1225 G HN 0.545 nan 8.290 nan 0.000 0.491 1226 G N -0.078 108.371 108.800 -0.585 0.000 2.569 1226 G HA2 0.718 4.678 3.960 -0.000 0.000 0.249 1226 G HA3 0.718 4.678 3.960 -0.000 0.000 0.249 1226 G C -0.279 174.358 174.900 -0.438 0.000 1.216 1226 G CA 0.281 44.633 45.100 -1.247 0.000 0.845 1226 G HN 1.380 nan 8.290 nan 0.000 0.568 1227 Y N -1.697 118.497 120.300 -0.177 0.000 2.725 1227 Y HA 0.611 5.161 4.550 -0.000 0.000 0.333 1227 Y C -0.517 175.336 175.900 -0.078 0.000 1.242 1227 Y CA -1.697 56.351 58.100 -0.086 0.000 1.059 1227 Y CB 0.690 39.019 38.460 -0.219 0.000 1.306 1227 Y HN 0.469 nan 8.280 nan 0.000 0.454 1228 L N 2.483 123.415 121.223 -0.485 0.000 2.467 1228 L HA 0.172 4.512 4.340 -0.000 0.000 0.270 1228 L C -0.066 176.769 176.870 -0.058 0.000 1.205 1228 L CA 0.066 54.540 54.840 -0.610 0.000 0.828 1228 L CB 0.116 41.343 42.059 -1.386 0.000 1.101 1228 L HN 0.592 nan 8.230 nan 0.000 0.479 1229 D N 0.833 121.254 120.400 0.035 0.000 2.344 1229 D HA 0.088 4.728 4.640 -0.000 0.000 0.244 1229 D C -0.046 176.472 176.300 0.363 0.000 1.134 1229 D CA -0.352 53.768 54.000 0.200 0.000 0.930 1229 D CB 0.636 41.517 40.800 0.134 0.000 1.175 1229 D HN 0.284 nan 8.370 nan 0.000 0.437 1230 Q N 1.329 121.300 119.800 0.285 0.000 2.297 1230 Q HA 0.250 4.590 4.340 -0.000 0.000 0.267 1230 Q C -1.969 174.112 176.000 0.135 0.000 1.006 1230 Q CA -1.257 54.684 55.803 0.231 0.000 0.896 1230 Q CB 0.105 28.928 28.738 0.142 0.000 1.186 1230 Q HN 0.163 nan 8.270 nan 0.000 0.392 1231 P HA 0.102 nan 4.420 nan 0.000 0.274 1231 P C -0.818 176.436 177.300 -0.076 0.000 1.246 1231 P CA -0.507 62.531 63.100 -0.105 0.000 0.795 1231 P CB 0.569 32.054 31.700 -0.358 0.000 1.006 1232 D N 1.167 121.515 120.400 -0.086 0.000 2.455 1232 D HA 0.019 4.659 4.640 -0.000 0.000 0.241 1232 D C 0.622 176.878 176.300 -0.074 0.000 1.138 1232 D CA 0.573 54.534 54.000 -0.064 0.000 0.877 1232 D CB -0.412 40.351 40.800 -0.062 0.000 1.187 1232 D HN 0.323 nan 8.370 nan 0.000 0.451 1233 N N -0.148 118.519 118.700 -0.054 0.000 2.741 1233 N HA -0.221 4.519 4.740 -0.000 0.000 0.251 1233 N C -0.440 175.033 175.510 -0.061 0.000 1.112 1233 N CA 0.323 53.341 53.050 -0.054 0.000 0.750 1233 N CB -1.679 36.773 38.487 -0.057 0.000 1.119 1233 N HN 0.409 nan 8.380 nan 0.000 0.561 1234 C N 2.535 121.798 119.300 -0.062 0.000 2.576 1234 C HA 0.343 4.802 4.460 -0.000 0.000 0.401 1234 C C -1.526 173.435 174.990 -0.049 0.000 1.314 1234 C CA -1.130 57.849 59.018 -0.065 0.000 1.855 1234 C CB -0.108 27.594 27.740 -0.065 0.000 2.537 1234 C HN 0.236 nan 8.230 nan 0.000 0.578 1235 P HA 0.309 nan 4.420 nan 0.000 0.279 1235 P C 0.532 177.807 177.300 -0.043 0.000 1.239 1235 P CA 0.429 63.503 63.100 -0.044 0.000 0.789 1235 P CB 0.534 32.207 31.700 -0.046 0.000 0.933 1236 E N 2.732 122.911 120.200 -0.035 0.000 2.187 1236 E HA -0.284 4.066 4.350 -0.000 0.000 0.199 1236 E C 2.010 178.583 176.600 -0.044 0.000 1.004 1236 E CA 1.872 58.253 56.400 -0.033 0.000 0.813 1236 E CB -0.754 28.931 29.700 -0.025 0.000 0.736 1236 E HN 0.585 nan 8.360 nan 0.000 0.468 1237 R N -0.199 120.273 120.500 -0.047 0.000 2.075 1237 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 1237 R C 2.458 178.718 176.300 -0.067 0.000 1.126 1237 R CA 1.614 57.683 56.100 -0.052 0.000 0.963 1237 R CB -0.426 29.846 30.300 -0.047 0.000 0.858 1237 R HN 0.385 nan 8.270 nan 0.000 0.435 1238 V N 0.620 120.491 119.914 -0.071 0.000 2.427 1238 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 1238 V C 2.278 178.298 176.094 -0.123 0.000 1.051 1238 V CA 2.138 64.383 62.300 -0.092 0.000 1.048 1238 V CB -0.606 31.163 31.823 -0.089 0.000 0.666 1238 V HN 0.418 nan 8.190 nan 0.000 0.456 1239 T N -0.210 114.287 114.554 -0.095 0.000 2.684 1239 T HA -0.213 4.136 4.350 -0.000 0.000 0.267 1239 T C 1.702 176.323 174.700 -0.131 0.000 1.036 1239 T CA 1.841 63.885 62.100 -0.093 0.000 1.148 1239 T CB -0.397 68.448 68.868 -0.038 0.000 0.863 1239 T HN 0.464 nan 8.240 nan 0.000 0.436 1240 D N 0.965 121.301 120.400 -0.106 0.000 2.104 1240 D HA -0.039 4.601 4.640 -0.000 0.000 0.194 1240 D C 2.186 178.388 176.300 -0.163 0.000 0.994 1240 D CA 0.765 54.699 54.000 -0.111 0.000 0.830 1240 D CB -0.447 40.307 40.800 -0.076 0.000 0.959 1240 D HN 0.313 nan 8.370 nan 0.000 0.452 1241 L N -0.012 121.113 121.223 -0.164 0.000 1.990 1241 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 1241 L C 2.693 179.349 176.870 -0.356 0.000 1.072 1241 L CA 1.054 55.782 54.840 -0.185 0.000 0.755 1241 L CB -0.415 41.580 42.059 -0.107 0.000 0.889 1241 L HN 0.081 nan 8.230 nan 0.000 0.432 1242 M N -0.974 118.325 119.600 -0.502 0.000 2.073 1242 M HA -0.245 4.235 4.480 -0.000 0.000 0.258 1242 M C 2.554 178.164 176.300 -1.150 0.000 1.070 1242 M CA 1.751 56.424 55.300 -1.045 0.000 1.103 1242 M CB -0.367 31.658 32.600 -0.957 0.000 1.321 1242 M HN 0.169 nan 8.290 nan 0.000 0.405 1243 R N -0.324 119.831 120.500 -0.574 0.000 2.091 1243 R HA -0.121 4.219 4.340 -0.000 0.000 0.238 1243 R C 1.979 178.088 176.300 -0.319 0.000 1.136 1243 R CA 1.340 57.225 56.100 -0.357 0.000 0.959 1243 R CB -0.680 29.509 30.300 -0.185 0.000 0.856 1243 R HN 0.430 nan 8.270 nan 0.000 0.437 1244 M N -0.138 119.291 119.600 -0.286 0.000 2.132 1244 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 1244 M C 2.498 178.669 176.300 -0.214 0.000 1.065 1244 M CA 1.074 56.257 55.300 -0.196 0.000 1.122 1244 M CB -1.171 31.338 32.600 -0.151 0.000 1.365 1244 M HN 0.128 nan 8.290 nan 0.000 0.411 1245 C N -0.962 118.117 119.300 -0.368 0.000 2.411 1245 C HA -0.167 4.293 4.460 -0.000 0.000 0.279 1245 C C 1.852 176.683 174.990 -0.265 0.000 1.288 1245 C CA 0.426 59.229 59.018 -0.358 0.000 1.764 1245 C CB -1.096 26.298 27.740 -0.577 0.000 1.974 1245 C HN 0.604 nan 8.230 nan 0.000 0.498 1246 W N 0.433 121.492 121.300 -0.401 0.000 3.194 1246 W HA 0.300 4.960 4.660 -0.000 0.000 0.408 1246 W C 0.445 176.883 176.519 -0.135 0.000 1.072 1246 W CA -0.599 56.373 57.345 -0.623 0.000 1.953 1246 W CB -1.121 27.782 29.460 -0.929 0.000 1.091 1246 W HN 0.355 nan 8.180 nan 0.000 0.699 1247 Q N 0.607 120.484 119.800 0.129 0.000 2.263 1247 Q HA -0.087 4.252 4.340 -0.000 0.000 0.289 1247 Q C 1.126 177.321 176.000 0.325 0.000 1.061 1247 Q CA 0.201 56.106 55.803 0.170 0.000 0.927 1247 Q CB 0.490 29.282 28.738 0.091 0.000 1.154 1247 Q HN 0.220 nan 8.270 nan 0.000 0.378 1248 F N 3.086 123.148 119.950 0.186 0.000 2.095 1248 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 1248 F C 1.156 177.015 175.800 0.099 0.000 1.104 1248 F CA 1.160 59.259 58.000 0.164 0.000 1.232 1248 F CB 0.157 39.217 39.000 0.099 0.000 0.987 1248 F HN 0.526 nan 8.300 nan 0.000 0.475 1249 N N 1.964 120.805 118.700 0.234 0.000 2.427 1249 N HA 0.017 4.757 4.740 -0.000 0.000 0.269 1249 N C -1.821 173.719 175.510 0.050 0.000 1.235 1249 N CA -1.760 51.354 53.050 0.107 0.000 0.934 1249 N CB 0.803 39.366 38.487 0.126 0.000 1.121 1249 N HN 0.053 nan 8.380 nan 0.000 0.480 1250 P HA -0.136 nan 4.420 nan 0.000 0.221 1250 P C 0.208 177.521 177.300 0.022 0.000 1.145 1250 P CA 1.342 64.448 63.100 0.010 0.000 0.795 1250 P CB 0.291 31.971 31.700 -0.033 0.000 0.775 1251 K N -1.076 119.335 120.400 0.020 0.000 2.487 1251 K HA 0.138 4.458 4.320 -0.000 0.000 0.192 1251 K C 1.575 178.186 176.600 0.019 0.000 1.027 1251 K CA 0.459 56.757 56.287 0.018 0.000 1.054 1251 K CB -0.131 32.380 32.500 0.018 0.000 0.824 1251 K HN 0.125 nan 8.250 nan 0.000 0.510 1252 M N 0.209 119.825 119.600 0.027 0.000 2.414 1252 M HA 0.110 4.590 4.480 -0.000 0.000 0.251 1252 M C 0.309 176.610 176.300 0.001 0.000 1.116 1252 M CA 0.347 55.659 55.300 0.019 0.000 1.056 1252 M CB 0.021 32.643 32.600 0.036 0.000 1.388 1252 M HN -0.042 nan 8.290 nan 0.000 0.487 1253 R N 1.931 122.433 120.500 0.003 0.000 2.594 1253 R HA 0.211 4.551 4.340 -0.000 0.000 0.272 1253 R C -2.049 174.208 176.300 -0.071 0.000 1.074 1253 R CA -1.253 54.831 56.100 -0.027 0.000 1.105 1253 R CB -0.241 30.062 30.300 0.005 0.000 1.008 1253 R HN 0.044 nan 8.270 nan 0.000 0.472 1254 P HA -0.023 nan 4.420 nan 0.000 0.271 1254 P C -0.381 176.793 177.300 -0.210 0.000 1.233 1254 P CA -0.201 62.816 63.100 -0.138 0.000 0.789 1254 P CB 0.510 32.118 31.700 -0.153 0.000 0.951 1255 T N -2.327 112.130 114.554 -0.162 0.000 2.902 1255 T HA 0.320 4.669 4.350 -0.000 0.000 0.280 1255 T C 1.020 175.590 174.700 -0.218 0.000 0.992 1255 T CA -0.381 61.615 62.100 -0.173 0.000 1.015 1255 T CB 0.188 69.050 68.868 -0.011 0.000 1.044 1255 T HN 0.090 nan 8.240 nan 0.000 0.520 1256 F N 0.146 120.069 119.950 -0.046 0.000 2.186 1256 F HA 0.109 4.635 4.527 -0.000 0.000 0.299 1256 F C 2.250 178.052 175.800 0.004 0.000 1.090 1256 F CA 0.832 58.768 58.000 -0.107 0.000 1.307 1256 F CB -0.779 38.166 39.000 -0.091 0.000 1.019 1256 F HN 0.425 nan 8.300 nan 0.000 0.489 1257 L N -0.316 121.080 121.223 0.288 0.000 2.079 1257 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 1257 L C 2.298 179.305 176.870 0.229 0.000 1.081 1257 L CA 1.443 56.492 54.840 0.349 0.000 0.752 1257 L CB -0.628 41.629 42.059 0.330 0.000 0.896 1257 L HN 0.185 nan 8.230 nan 0.000 0.433 1258 E N -0.032 120.229 120.200 0.102 0.000 2.106 1258 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 1258 E C 2.264 178.848 176.600 -0.027 0.000 0.984 1258 E CA 0.921 57.342 56.400 0.035 0.000 0.806 1258 E CB 0.097 29.792 29.700 -0.008 0.000 0.750 1258 E HN 0.364 nan 8.360 nan 0.000 0.458 1259 I N 0.744 121.279 120.570 -0.058 0.000 2.142 1259 I HA -0.225 3.945 4.170 -0.000 0.000 0.240 1259 I C 2.462 178.516 176.117 -0.105 0.000 1.078 1259 I CA 1.064 62.319 61.300 -0.074 0.000 1.343 1259 I CB -1.191 36.736 38.000 -0.122 0.000 1.046 1259 I HN 0.025 nan 8.210 nan 0.000 0.405 1260 V N 1.630 121.464 119.914 -0.133 0.000 2.332 1260 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 1260 V C 2.361 178.132 176.094 -0.538 0.000 1.055 1260 V CA 2.329 64.441 62.300 -0.313 0.000 1.038 1260 V CB -1.130 30.501 31.823 -0.320 0.000 0.651 1260 V HN 0.453 nan 8.190 nan 0.000 0.450 1261 N N 0.112 118.511 118.700 -0.501 0.000 2.166 1261 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 1261 N C 1.659 177.070 175.510 -0.166 0.000 1.019 1261 N CA 1.512 54.363 53.050 -0.332 0.000 0.856 1261 N CB -0.277 38.219 38.487 0.016 0.000 0.993 1261 N HN 0.462 nan 8.380 nan 0.000 0.426 1262 L N -0.308 120.840 121.223 -0.125 0.000 2.093 1262 L HA -0.070 4.269 4.340 -0.000 0.000 0.208 1262 L C 1.729 178.538 176.870 -0.102 0.000 1.085 1262 L CA 0.800 55.589 54.840 -0.085 0.000 0.755 1262 L CB -0.187 41.834 42.059 -0.063 0.000 0.904 1262 L HN 0.270 nan 8.230 nan 0.000 0.435 1263 L N -0.516 120.619 121.223 -0.146 0.000 2.529 1263 L HA -0.039 4.300 4.340 -0.000 0.000 0.223 1263 L C 2.494 179.246 176.870 -0.197 0.000 1.113 1263 L CA 0.109 54.856 54.840 -0.156 0.000 0.861 1263 L CB -0.356 41.607 42.059 -0.161 0.000 1.012 1263 L HN 0.259 nan 8.230 nan 0.000 0.461 1264 K N -0.048 120.221 120.400 -0.218 0.000 2.113 1264 K HA -0.247 4.073 4.320 -0.000 0.000 0.208 1264 K C 0.947 177.486 176.600 -0.101 0.000 1.047 1264 K CA 1.976 58.149 56.287 -0.190 0.000 0.928 1264 K CB -0.327 32.123 32.500 -0.084 0.000 0.716 1264 K HN 0.151 nan 8.250 nan 0.000 0.446 1265 D N 1.364 121.724 120.400 -0.066 0.000 2.264 1265 D HA -0.087 4.553 4.640 -0.000 0.000 0.208 1265 D C 0.690 176.957 176.300 -0.055 0.000 0.966 1265 D CA 0.941 54.919 54.000 -0.038 0.000 0.864 1265 D CB -0.029 40.756 40.800 -0.026 0.000 0.933 1265 D HN 0.325 nan 8.370 nan 0.000 0.499 1266 D N -0.309 120.041 120.400 -0.083 0.000 2.402 1266 D HA 0.112 4.752 4.640 -0.000 0.000 0.216 1266 D C 0.492 176.742 176.300 -0.084 0.000 1.128 1266 D CA -0.069 53.887 54.000 -0.073 0.000 0.833 1266 D CB 0.988 41.748 40.800 -0.067 0.000 0.971 1266 D HN 0.198 nan 8.370 nan 0.000 0.503 1267 L N 0.228 121.379 121.223 -0.121 0.000 2.416 1267 L HA 0.220 4.560 4.340 -0.000 0.000 0.262 1267 L C 1.040 177.915 176.870 0.010 0.000 1.093 1267 L CA -0.804 53.965 54.840 -0.120 0.000 0.801 1267 L CB 1.072 42.904 42.059 -0.378 0.000 1.191 1267 L HN 0.073 nan 8.230 nan 0.000 0.459 1268 H N 2.164 121.242 119.070 0.013 0.000 2.972 1268 H HA -0.012 4.544 4.556 -0.000 0.000 0.343 1268 H C -1.814 173.564 175.328 0.084 0.000 1.054 1268 H CA -0.830 55.254 56.048 0.060 0.000 1.412 1268 H CB 1.491 31.312 29.762 0.099 0.000 1.385 1268 H HN 0.308 nan 8.280 nan 0.000 0.600 1269 P HA -0.176 nan 4.420 nan 0.000 0.218 1269 P C 1.452 178.765 177.300 0.021 0.000 1.146 1269 P CA 1.846 64.858 63.100 -0.146 0.000 0.813 1269 P CB 0.094 31.648 31.700 -0.242 0.000 0.778 1270 S N -2.141 113.687 115.700 0.214 0.000 2.481 1270 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 1270 S C 1.796 176.485 174.600 0.148 0.000 0.996 1270 S CA 0.143 58.468 58.200 0.208 0.000 0.942 1270 S CB -1.629 61.746 63.200 0.292 0.000 0.768 1270 S HN 0.032 nan 8.310 nan 0.000 0.520 1271 F N 4.036 124.041 119.950 0.091 0.000 2.063 1271 F HA -0.013 4.514 4.527 0.000 0.000 0.298 1271 F C -1.082 174.712 175.800 -0.009 0.000 1.109 1271 F CA 1.484 59.537 58.000 0.088 0.000 1.212 1271 F CB -1.277 37.787 39.000 0.106 0.000 0.973 1271 F HN 0.223 nan 8.300 nan 0.000 0.480 1272 P HA -0.155 nan 4.420 nan 0.000 0.219 1272 P C 1.097 178.290 177.300 -0.178 0.000 1.146 1272 P CA 1.559 64.391 63.100 -0.447 0.000 0.808 1272 P CB -0.114 31.279 31.700 -0.512 0.000 0.779 1273 E N -0.843 119.281 120.200 -0.127 0.000 2.427 1273 E HA -0.031 4.319 4.350 -0.000 0.000 0.196 1273 E C 1.606 178.114 176.600 -0.154 0.000 1.028 1273 E CA 0.969 57.307 56.400 -0.103 0.000 0.864 1273 E CB -0.090 29.566 29.700 -0.074 0.000 0.813 1273 E HN 0.306 nan 8.360 nan 0.000 0.514 1274 V N -2.362 117.409 119.914 -0.239 0.000 3.497 1274 V HA 0.191 4.311 4.120 -0.000 0.000 0.272 1274 V C 0.940 176.861 176.094 -0.288 0.000 1.474 1274 V CA 0.031 62.121 62.300 -0.351 0.000 1.025 1274 V CB 0.229 31.595 31.823 -0.762 0.000 0.820 1274 V HN 0.054 nan 8.190 nan 0.000 0.437 1275 S N 0.287 115.814 115.700 -0.287 0.000 2.585 1275 S HA 0.312 4.781 4.470 -0.000 0.000 0.273 1275 S C 0.734 175.389 174.600 0.091 0.000 1.339 1275 S CA 0.208 58.302 58.200 -0.177 0.000 1.028 1275 S CB 0.826 63.711 63.200 -0.524 0.000 0.906 1275 S HN 0.504 nan 8.310 nan 0.000 0.528 1276 F N 2.628 122.641 119.950 0.105 0.000 2.134 1276 F HA -0.036 4.490 4.527 -0.001 0.000 0.299 1276 F C 1.666 177.567 175.800 0.169 0.000 1.097 1276 F CA 1.202 59.297 58.000 0.159 0.000 1.264 1276 F CB -0.645 38.505 39.000 0.251 0.000 1.001 1276 F HN 0.742 nan 8.300 nan 0.000 0.479 1277 F N 0.827 120.715 119.950 -0.103 0.000 2.120 1277 F HA -0.270 4.257 4.527 0.000 0.000 0.300 1277 F C 2.116 177.696 175.800 -0.366 0.000 1.095 1277 F CA 2.429 60.274 58.000 -0.258 0.000 1.249 1277 F CB -0.679 38.303 39.000 -0.030 0.000 0.995 1277 F HN 0.097 nan 8.300 nan 0.000 0.480 1278 H N -0.959 118.128 119.070 0.028 0.000 2.553 1278 H HA 0.192 4.748 4.556 -0.000 0.000 0.265 1278 H C 1.159 176.413 175.328 -0.125 0.000 0.964 1278 H CA 0.381 56.411 56.048 -0.029 0.000 1.156 1278 H CB -0.251 29.577 29.762 0.109 0.000 1.411 1278 H HN 0.143 nan 8.280 nan 0.000 0.558 1279 S N -0.047 115.601 115.700 -0.087 0.000 2.603 1279 S HA -0.012 4.458 4.470 -0.000 0.000 0.268 1279 S C 1.440 175.962 174.600 -0.129 0.000 1.317 1279 S CA -0.425 57.729 58.200 -0.077 0.000 1.012 1279 S CB 1.742 64.926 63.200 -0.027 0.000 0.926 1279 S HN 0.249 nan 8.310 nan 0.000 0.539 1280 E N 0.219 120.381 120.200 -0.064 0.000 2.265 1280 E HA -0.128 4.221 4.350 -0.000 0.000 0.196 1280 E C 1.797 178.360 176.600 -0.061 0.000 0.996 1280 E CA 1.264 57.627 56.400 -0.060 0.000 0.832 1280 E CB -0.564 29.122 29.700 -0.024 0.000 0.756 1280 E HN 0.861 nan 8.360 nan 0.000 0.491 1281 E N 0.389 120.569 120.200 -0.033 0.000 2.150 1281 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 1281 E C 0.871 177.452 176.600 -0.031 0.000 0.985 1281 E CA 0.467 56.895 56.400 0.045 0.000 0.814 1281 E CB -0.009 29.823 29.700 0.220 0.000 0.752 1281 E HN 0.173 nan 8.360 nan 0.000 0.466 1282 N N 1.196 119.699 118.700 -0.328 0.000 2.411 1282 N HA 0.052 4.792 4.740 -0.000 0.000 0.259 1282 N C -1.304 174.041 175.510 -0.276 0.000 1.103 1282 N CA 0.178 52.937 53.050 -0.484 0.000 0.954 1282 N CB 0.567 38.419 38.487 -1.058 0.000 1.085 1282 N HN -0.037 nan 8.380 nan 0.000 0.485 1283 K N 0.000 120.314 120.400 -0.144 0.000 2.780 1283 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1283 K CA 0.000 56.225 56.287 -0.103 0.000 0.838 1283 K CB 0.000 32.470 32.500 -0.050 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543