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 2z8c_1_A DATA FIRST_RESID 984 DATA SEQUENCE FVPDEWEVSR EKITLLRELG QGSFGMVYEG NARDIIKGEA ETRVAVKTVN DATA SEQUENCE ESASLRERIE FLNEASVMKG FTCHHVVRLL GVVSKGQPTL VVMELMAHGD DATA SEQUENCE LKSYLRSLRP EAENNPGRPP PTLQEMIQMA AEIADGMAYL NAKKFVHRDL DATA SEQUENCE AARNCMVAHD FTVKIGDFGM TRDIXETDXX RKGGKGLLPV RWMAPESLKD DATA SEQUENCE GVFTTSSDMW SFGVVLWEIT SLAEQPYQGL SNEQVLKFVM DGGYLDQPDN DATA SEQUENCE CPERVTDLMR MCWQFNPKMR PTFLEIVNLL KDDLHPSFPE VSFFHSEENK 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 984 F HA 0.000 nan 4.527 nan 0.000 0.279 984 F C 0.000 175.795 175.800 -0.008 0.000 0.967 984 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 984 F CB 0.000 39.007 39.000 0.011 0.000 1.145 985 V N 1.234 121.310 119.914 0.269 0.000 3.344 985 V HA -0.109 4.012 4.120 0.002 0.000 0.473 985 V C -2.670 173.481 176.094 0.096 0.000 0.682 985 V CA -1.289 61.089 62.300 0.130 0.000 2.007 985 V CB -1.631 30.251 31.823 0.097 0.000 2.460 985 V HN 0.477 nan 8.190 nan 0.000 0.499 986 P HA 0.292 nan 4.420 nan 0.000 0.263 986 P C -0.114 177.230 177.300 0.073 0.000 1.175 986 P CA 0.353 63.497 63.100 0.073 0.000 0.761 986 P CB 0.602 32.334 31.700 0.053 0.000 0.794 987 D N 0.515 120.973 120.400 0.097 0.000 2.658 987 D HA 0.177 4.818 4.640 0.002 0.000 0.243 987 D C 0.965 177.312 176.300 0.078 0.000 1.159 987 D CA -0.453 53.617 54.000 0.116 0.000 1.084 987 D CB 0.534 41.469 40.800 0.226 0.000 1.227 987 D HN 0.266 nan 8.370 nan 0.000 0.636 988 E N -0.934 119.293 120.200 0.045 0.000 2.318 988 E HA 0.041 4.392 4.350 0.002 0.000 0.193 988 E C 1.213 177.736 176.600 -0.128 0.000 0.998 988 E CA 0.282 56.626 56.400 -0.094 0.000 0.859 988 E CB 0.200 29.773 29.700 -0.212 0.000 0.812 988 E HN 0.435 nan 8.360 nan 0.000 0.492 989 W N 1.914 123.207 121.300 -0.013 0.000 2.800 989 W HA 0.070 4.731 4.660 0.002 0.000 0.249 989 W C 0.786 177.300 176.519 -0.009 0.000 1.294 989 W CA -0.335 57.002 57.345 -0.014 0.000 1.402 989 W CB 0.092 29.535 29.460 -0.028 0.000 1.126 989 W HN -0.056 nan 8.180 nan 0.000 0.652 990 E N 0.813 121.122 120.200 0.182 0.000 2.508 990 E HA 0.082 4.433 4.350 0.002 0.000 0.266 990 E C -0.476 176.180 176.600 0.092 0.000 1.010 990 E CA 0.577 57.048 56.400 0.117 0.000 0.955 990 E CB 0.498 30.242 29.700 0.074 0.000 0.946 990 E HN -0.140 nan 8.360 nan 0.000 0.454 991 V N 2.733 122.695 119.914 0.080 0.000 3.049 991 V HA 0.336 4.457 4.120 0.002 0.000 0.309 991 V C -0.595 175.526 176.094 0.046 0.000 1.148 991 V CA -1.029 61.308 62.300 0.063 0.000 0.990 991 V CB 2.506 34.373 31.823 0.074 0.000 1.039 991 V HN 0.678 nan 8.190 nan 0.000 0.430 992 S N 1.812 117.532 115.700 0.033 0.000 2.465 992 S HA 0.261 4.732 4.470 0.002 0.000 0.279 992 S C 1.082 175.695 174.600 0.022 0.000 1.201 992 S CA -0.452 57.762 58.200 0.024 0.000 1.053 992 S CB 0.866 64.076 63.200 0.016 0.000 0.953 992 S HN 0.771 nan 8.310 nan 0.000 0.488 993 R N 2.391 122.903 120.500 0.020 0.000 2.139 993 R HA -0.185 4.156 4.340 0.002 0.000 0.243 993 R C 1.326 177.630 176.300 0.006 0.000 1.145 993 R CA 1.636 57.745 56.100 0.014 0.000 0.976 993 R CB -0.102 30.205 30.300 0.011 0.000 0.866 993 R HN 0.598 nan 8.270 nan 0.000 0.449 994 E N 0.401 120.604 120.200 0.005 0.000 2.118 994 E HA -0.172 4.179 4.350 0.002 0.000 0.195 994 E C 1.619 178.220 176.600 0.002 0.000 0.992 994 E CA 1.494 57.894 56.400 0.001 0.000 0.804 994 E CB 0.098 29.799 29.700 0.001 0.000 0.741 994 E HN 0.328 nan 8.360 nan 0.000 0.458 995 K N -0.166 120.239 120.400 0.007 0.000 2.362 995 K HA -0.022 4.299 4.320 0.002 0.000 0.200 995 K C 0.079 176.684 176.600 0.009 0.000 1.046 995 K CA 0.374 56.666 56.287 0.010 0.000 0.952 995 K CB 0.243 32.753 32.500 0.015 0.000 0.753 995 K HN 0.115 nan 8.250 nan 0.000 0.466 996 I N 1.775 122.350 120.570 0.007 0.000 2.331 996 I HA 0.109 4.280 4.170 0.002 0.000 0.292 996 I C -0.088 176.024 176.117 -0.010 0.000 0.998 996 I CA 0.111 61.414 61.300 0.004 0.000 1.267 996 I CB 1.391 39.395 38.000 0.007 0.000 1.386 996 I HN -0.158 nan 8.210 nan 0.000 0.476 997 T N 7.359 121.908 114.554 -0.010 0.000 2.841 997 T HA 0.557 4.908 4.350 0.002 0.000 0.285 997 T C -0.084 174.601 174.700 -0.024 0.000 0.991 997 T CA -0.492 61.595 62.100 -0.020 0.000 0.966 997 T CB 1.651 70.512 68.868 -0.011 0.000 0.962 997 T HN 0.261 nan 8.240 nan 0.000 0.438 998 L N 4.512 125.703 121.223 -0.053 0.000 2.282 998 L HA 0.356 4.697 4.340 0.002 0.000 0.288 998 L C 0.467 177.321 176.870 -0.027 0.000 1.033 998 L CA -0.860 53.944 54.840 -0.060 0.000 0.807 998 L CB 1.027 42.968 42.059 -0.195 0.000 1.209 998 L HN 0.434 nan 8.230 nan 0.000 0.423 999 L N 2.923 124.159 121.223 0.020 0.000 2.121 999 L HA 0.223 4.564 4.340 0.002 0.000 0.200 999 L C 0.951 177.858 176.870 0.061 0.000 1.077 999 L CA 1.402 56.261 54.840 0.032 0.000 0.766 999 L CB -0.680 41.398 42.059 0.033 0.000 0.931 999 L HN 0.741 nan 8.230 nan 0.000 0.452 1000 R N -0.987 119.578 120.500 0.108 0.000 2.766 1000 R HA 0.408 4.749 4.340 0.002 0.000 0.270 1000 R C -0.737 175.688 176.300 0.208 0.000 1.035 1000 R CA -0.759 55.423 56.100 0.137 0.000 0.911 1000 R CB 1.327 31.672 30.300 0.075 0.000 1.243 1000 R HN -0.079 nan 8.270 nan 0.000 0.460 1001 E N 1.030 121.312 120.200 0.136 0.000 2.152 1001 E HA 0.141 4.492 4.350 0.002 0.000 0.285 1001 E C 0.073 176.643 176.600 -0.050 0.000 1.043 1001 E CA -0.299 56.088 56.400 -0.022 0.000 0.839 1001 E CB 0.928 30.593 29.700 -0.059 0.000 1.069 1001 E HN 0.583 nan 8.360 nan 0.000 0.399 1002 L N 3.495 124.666 121.223 -0.087 0.000 2.249 1002 L HA 0.310 4.651 4.340 0.002 0.000 0.207 1002 L C 1.088 177.918 176.870 -0.068 0.000 1.090 1002 L CA 0.690 55.500 54.840 -0.049 0.000 0.802 1002 L CB 0.181 42.222 42.059 -0.030 0.000 0.947 1002 L HN 0.711 nan 8.230 nan 0.000 0.453 1003 G N -0.938 107.786 108.800 -0.126 0.000 2.321 1003 G HA2 0.172 4.133 3.960 0.002 0.000 0.298 1003 G HA3 0.172 4.133 3.960 0.002 0.000 0.298 1003 G C -1.968 172.851 174.900 -0.134 0.000 1.385 1003 G CA -0.661 44.377 45.100 -0.103 0.000 0.856 1003 G HN -0.133 nan 8.290 nan 0.000 0.584 1004 Q N -0.686 119.060 119.800 -0.089 0.000 2.316 1004 Q HA 0.646 4.987 4.340 0.002 0.000 0.264 1004 Q C 0.469 176.448 176.000 -0.034 0.000 0.987 1004 Q CA -0.012 55.744 55.803 -0.078 0.000 0.852 1004 Q CB 1.722 30.423 28.738 -0.062 0.000 1.287 1004 Q HN 0.991 nan 8.270 nan 0.000 0.448 1005 G N -0.100 108.697 108.800 -0.005 0.000 2.971 1005 G HA2 0.219 4.180 3.960 0.002 0.000 0.235 1005 G HA3 0.219 4.180 3.960 0.002 0.000 0.235 1005 G C 0.597 175.539 174.900 0.070 0.000 1.351 1005 G CA -0.093 45.023 45.100 0.027 0.000 1.039 1005 G HN 0.742 nan 8.290 nan 0.000 0.563 1006 S N -1.034 114.689 115.700 0.038 0.000 2.448 1006 S HA -0.230 4.242 4.470 0.002 0.000 0.247 1006 S C 1.278 175.959 174.600 0.136 0.000 1.033 1006 S CA 2.493 60.678 58.200 -0.025 0.000 1.003 1006 S CB -0.669 62.387 63.200 -0.240 0.000 0.786 1006 S HN 1.379 nan 8.310 nan 0.000 0.495 1007 F N -3.390 116.520 119.950 -0.066 0.000 3.110 1007 F HA 0.434 4.962 4.527 0.002 0.000 0.415 1007 F C 0.679 176.407 175.800 -0.121 0.000 1.036 1007 F CA -0.659 57.296 58.000 -0.075 0.000 0.860 1007 F CB -0.373 38.593 39.000 -0.057 0.000 1.568 1007 F HN 0.254 nan 8.300 nan 0.000 0.517 1008 G N 1.895 110.670 108.800 -0.042 0.000 2.940 1008 G HA2 0.601 4.562 3.960 0.002 0.000 0.164 1008 G HA3 0.601 4.562 3.960 0.002 0.000 0.164 1008 G C -1.261 173.512 174.900 -0.212 0.000 1.326 1008 G CA -0.644 44.222 45.100 -0.390 0.000 1.020 1008 G HN 0.086 nan 8.290 nan 0.000 0.586 1009 M N -0.054 119.402 119.600 -0.240 0.000 2.324 1009 M HA 0.575 5.056 4.480 0.002 0.000 0.288 1009 M C -1.577 174.558 176.300 -0.275 0.000 1.097 1009 M CA -0.577 54.561 55.300 -0.269 0.000 0.928 1009 M CB 2.217 34.651 32.600 -0.276 0.000 1.648 1009 M HN 0.225 nan 8.290 nan 0.000 0.460 1010 V N 6.107 125.831 119.914 -0.316 0.000 2.378 1010 V HA 0.516 4.637 4.120 0.002 0.000 0.288 1010 V C -1.193 174.726 176.094 -0.290 0.000 1.016 1010 V CA -0.561 61.620 62.300 -0.198 0.000 0.840 1010 V CB 0.835 32.607 31.823 -0.086 0.000 0.994 1010 V HN 0.798 nan 8.190 nan 0.000 0.431 1011 Y N 1.584 121.880 120.300 -0.007 0.000 2.496 1011 Y HA 0.537 5.088 4.550 0.001 0.000 0.331 1011 Y C 0.476 176.377 175.900 0.002 0.000 1.140 1011 Y CA -0.802 57.295 58.100 -0.004 0.000 1.166 1011 Y CB 1.437 39.893 38.460 -0.006 0.000 1.249 1011 Y HN 0.575 nan 8.280 nan 0.000 0.479 1012 E N 0.828 121.131 120.200 0.171 0.000 2.191 1012 E HA 0.623 4.974 4.350 0.002 0.000 0.278 1012 E C -0.656 175.999 176.600 0.091 0.000 0.972 1012 E CA -0.399 56.059 56.400 0.096 0.000 0.804 1012 E CB 1.273 31.009 29.700 0.059 0.000 1.110 1012 E HN 0.914 nan 8.360 nan 0.000 0.394 1013 G N 2.687 111.525 108.800 0.063 0.000 2.827 1013 G HA2 0.317 4.278 3.960 0.002 0.000 0.296 1013 G HA3 0.317 4.278 3.960 0.002 0.000 0.296 1013 G C -1.314 173.602 174.900 0.028 0.000 1.362 1013 G CA -0.714 44.410 45.100 0.040 0.000 0.809 1013 G HN 0.547 nan 8.290 nan 0.000 0.522 1014 N N 0.251 118.962 118.700 0.018 0.000 2.399 1014 N HA 0.603 5.344 4.740 0.002 0.000 0.280 1014 N C -0.122 175.398 175.510 0.016 0.000 1.008 1014 N CA -0.256 52.803 53.050 0.016 0.000 0.894 1014 N CB 2.107 40.600 38.487 0.010 0.000 1.273 1014 N HN 0.780 nan 8.380 nan 0.000 0.486 1015 A N 2.204 125.036 122.820 0.021 0.000 2.271 1015 A HA 0.630 4.951 4.320 0.002 0.000 0.288 1015 A C 0.063 177.658 177.584 0.018 0.000 1.094 1015 A CA -0.513 51.538 52.037 0.024 0.000 0.828 1015 A CB 0.791 19.811 19.000 0.033 0.000 1.091 1015 A HN 0.535 nan 8.150 nan 0.000 0.493 1016 R N 0.990 121.501 120.500 0.017 0.000 2.451 1016 R HA 0.346 4.687 4.340 0.002 0.000 0.307 1016 R C -1.549 174.759 176.300 0.014 0.000 0.965 1016 R CA -0.542 55.566 56.100 0.013 0.000 0.865 1016 R CB 1.043 31.348 30.300 0.009 0.000 1.174 1016 R HN 0.861 nan 8.270 nan 0.000 0.455 1017 D N 2.378 122.785 120.400 0.013 0.000 3.205 1017 D HA -0.205 4.436 4.640 0.002 0.000 0.227 1017 D C 0.322 176.632 176.300 0.016 0.000 1.171 1017 D CA 0.695 54.702 54.000 0.012 0.000 0.929 1017 D CB -0.380 40.424 40.800 0.007 0.000 0.900 1017 D HN 0.667 nan 8.370 nan 0.000 0.404 1018 I N 0.296 120.879 120.570 0.022 0.000 4.624 1018 I HA 0.204 4.375 4.170 0.002 0.000 0.327 1018 I C 0.176 176.312 176.117 0.032 0.000 1.295 1018 I CA -0.207 61.112 61.300 0.032 0.000 1.267 1018 I CB 0.395 38.422 38.000 0.045 0.000 1.249 1018 I HN 0.316 nan 8.210 nan 0.000 0.440 1019 I N -0.862 119.724 120.570 0.026 0.000 2.846 1019 I HA 0.430 4.601 4.170 0.002 0.000 0.307 1019 I C -0.679 175.447 176.117 0.014 0.000 1.053 1019 I CA -0.955 60.360 61.300 0.025 0.000 1.050 1019 I CB 1.673 39.692 38.000 0.032 0.000 1.239 1019 I HN -0.128 nan 8.210 nan 0.000 0.439 1020 K N 3.942 124.348 120.400 0.011 0.000 2.361 1020 K HA 0.378 4.699 4.320 0.002 0.000 0.283 1020 K C 0.567 177.171 176.600 0.006 0.000 1.078 1020 K CA 0.806 57.096 56.287 0.005 0.000 1.041 1020 K CB 0.043 32.544 32.500 0.002 0.000 0.932 1020 K HN 1.029 nan 8.250 nan 0.000 0.462 1021 G N 2.935 111.737 108.800 0.005 0.000 2.163 1021 G HA2 -0.215 3.746 3.960 0.002 0.000 0.207 1021 G HA3 -0.215 3.746 3.960 0.002 0.000 0.207 1021 G C -0.555 174.347 174.900 0.004 0.000 2.263 1021 G CA -0.677 44.425 45.100 0.004 0.000 1.616 1021 G HN 0.496 nan 8.290 nan 0.000 0.521 1022 E N 1.509 121.712 120.200 0.006 0.000 2.383 1022 E HA 0.694 5.045 4.350 0.002 0.000 0.264 1022 E C 1.095 177.698 176.600 0.006 0.000 1.050 1022 E CA 0.775 57.178 56.400 0.005 0.000 0.896 1022 E CB 1.382 31.085 29.700 0.005 0.000 0.982 1022 E HN 0.904 nan 8.360 nan 0.000 0.424 1023 A N 3.613 126.436 122.820 0.005 0.000 2.220 1023 A HA 0.096 4.417 4.320 0.002 0.000 0.211 1023 A C 0.406 177.994 177.584 0.007 0.000 1.176 1023 A CA 0.206 52.246 52.037 0.005 0.000 0.834 1023 A CB 0.137 19.139 19.000 0.003 0.000 0.868 1023 A HN 0.509 nan 8.150 nan 0.000 0.488 1024 E N 0.433 120.636 120.200 0.006 0.000 2.279 1024 E HA 0.396 4.747 4.350 0.002 0.000 0.252 1024 E C -1.453 175.152 176.600 0.008 0.000 0.894 1024 E CA -0.241 56.163 56.400 0.006 0.000 0.785 1024 E CB 0.998 30.700 29.700 0.003 0.000 1.237 1024 E HN 0.047 nan 8.360 nan 0.000 0.418 1025 T N 5.038 119.600 114.554 0.013 0.000 3.226 1025 T HA 0.158 4.509 4.350 0.002 0.000 0.378 1025 T C -0.324 174.388 174.700 0.019 0.000 1.380 1025 T CA -0.905 61.204 62.100 0.016 0.000 1.396 1025 T CB 0.014 68.896 68.868 0.023 0.000 1.044 1025 T HN 0.417 nan 8.240 nan 0.000 0.586 1026 R N 2.122 122.630 120.500 0.014 0.000 2.478 1026 R HA 0.096 4.437 4.340 0.002 0.000 0.281 1026 R C -0.235 176.078 176.300 0.023 0.000 0.939 1026 R CA 0.303 56.412 56.100 0.016 0.000 1.120 1026 R CB -0.880 29.425 30.300 0.009 0.000 0.885 1026 R HN 0.380 nan 8.270 nan 0.000 0.415 1027 V N -1.955 117.977 119.914 0.030 0.000 3.156 1027 V HA 0.906 5.027 4.120 0.002 0.000 0.310 1027 V C -0.237 175.883 176.094 0.044 0.000 1.234 1027 V CA -0.927 61.395 62.300 0.036 0.000 1.065 1027 V CB 1.770 33.619 31.823 0.043 0.000 1.088 1027 V HN 0.988 nan 8.190 nan 0.000 0.451 1028 A N 0.391 123.239 122.820 0.046 0.000 2.305 1028 A HA 0.830 5.151 4.320 0.002 0.000 0.322 1028 A C -0.618 177.011 177.584 0.074 0.000 1.187 1028 A CA -0.612 51.459 52.037 0.056 0.000 0.825 1028 A CB 1.238 20.262 19.000 0.039 0.000 1.164 1028 A HN 1.364 nan 8.150 nan 0.000 0.498 1029 V N 3.224 123.201 119.914 0.106 0.000 2.349 1029 V HA 0.309 4.430 4.120 0.002 0.000 0.284 1029 V C 0.073 176.261 176.094 0.156 0.000 1.014 1029 V CA -0.593 61.785 62.300 0.131 0.000 0.826 1029 V CB 1.052 32.959 31.823 0.141 0.000 1.009 1029 V HN 0.928 nan 8.190 nan 0.000 0.431 1030 K N 2.779 123.262 120.400 0.139 0.000 2.201 1030 K HA 0.655 4.976 4.320 0.002 0.000 0.278 1030 K C -0.310 176.368 176.600 0.129 0.000 1.027 1030 K CA -0.039 56.322 56.287 0.123 0.000 0.909 1030 K CB 1.418 34.023 32.500 0.177 0.000 1.062 1030 K HN 0.724 nan 8.250 nan 0.000 0.465 1031 T N 2.108 116.611 114.554 -0.084 0.000 2.883 1031 T HA 0.492 4.843 4.350 0.002 0.000 0.296 1031 T C -1.835 172.474 174.700 -0.652 0.000 1.117 1031 T CA -0.662 61.276 62.100 -0.270 0.000 1.006 1031 T CB 1.593 70.453 68.868 -0.013 0.000 1.191 1031 T HN 0.362 nan 8.240 nan 0.000 0.508 1032 V N 2.395 121.830 119.914 -0.798 0.000 3.040 1032 V HA 0.624 4.745 4.120 0.002 0.000 0.312 1032 V C -1.175 174.713 176.094 -0.343 0.000 1.115 1032 V CA -1.017 60.853 62.300 -0.715 0.000 0.998 1032 V CB 2.298 33.489 31.823 -1.053 0.000 1.042 1032 V HN 1.060 nan 8.190 nan 0.000 0.433 1033 N N 3.182 121.740 118.700 -0.236 0.000 2.497 1033 N HA 0.386 5.127 4.740 0.002 0.000 0.271 1033 N C 0.467 175.929 175.510 -0.080 0.000 1.142 1033 N CA 0.461 53.442 53.050 -0.116 0.000 0.965 1033 N CB 0.832 39.269 38.487 -0.083 0.000 1.077 1033 N HN 0.836 nan 8.380 nan 0.000 0.462 1034 E N 0.120 120.306 120.200 -0.023 0.000 2.365 1034 E HA 0.044 4.395 4.350 0.002 0.000 0.188 1034 E C 0.310 176.924 176.600 0.023 0.000 1.102 1034 E CA 0.163 56.582 56.400 0.031 0.000 0.927 1034 E CB -0.809 28.940 29.700 0.082 0.000 1.073 1034 E HN 0.655 nan 8.360 nan 0.000 0.467 1035 S N -2.313 113.384 115.700 -0.005 0.000 2.977 1035 S HA 0.684 5.155 4.470 0.002 0.000 0.250 1035 S C 0.311 174.901 174.600 -0.016 0.000 1.005 1035 S CA 0.153 58.351 58.200 -0.003 0.000 1.081 1035 S CB 0.211 63.409 63.200 -0.004 0.000 1.018 1035 S HN 0.885 nan 8.310 nan 0.000 0.539 1036 A N 1.724 124.527 122.820 -0.028 0.000 2.384 1036 A HA 0.873 5.194 4.320 0.002 0.000 0.312 1036 A C 0.286 177.858 177.584 -0.020 0.000 1.113 1036 A CA -0.564 51.450 52.037 -0.039 0.000 0.779 1036 A CB 1.036 19.984 19.000 -0.088 0.000 1.307 1036 A HN 0.990 nan 8.150 nan 0.000 0.436 1037 S N 0.812 116.507 115.700 -0.009 0.000 2.563 1037 S HA 0.055 4.526 4.470 0.002 0.000 0.294 1037 S C 1.077 175.683 174.600 0.010 0.000 1.279 1037 S CA 0.273 58.478 58.200 0.008 0.000 1.069 1037 S CB -0.049 63.161 63.200 0.018 0.000 0.828 1037 S HN 1.533 nan 8.310 nan 0.000 0.497 1038 L N 2.307 123.541 121.223 0.017 0.000 2.089 1038 L HA -0.188 4.153 4.340 0.002 0.000 0.213 1038 L C 2.669 179.554 176.870 0.025 0.000 1.079 1038 L CA 2.080 56.932 54.840 0.020 0.000 0.758 1038 L CB -0.342 41.733 42.059 0.027 0.000 0.891 1038 L HN 0.856 nan 8.230 nan 0.000 0.433 1039 R N 0.103 120.623 120.500 0.033 0.000 2.081 1039 R HA -0.228 4.113 4.340 0.002 0.000 0.235 1039 R C 2.278 178.623 176.300 0.075 0.000 1.131 1039 R CA 2.014 58.141 56.100 0.046 0.000 0.960 1039 R CB -0.423 29.903 30.300 0.044 0.000 0.856 1039 R HN 0.650 nan 8.270 nan 0.000 0.436 1040 E N -0.015 120.232 120.200 0.078 0.000 2.017 1040 E HA -0.240 4.111 4.350 0.002 0.000 0.193 1040 E C 2.120 178.775 176.600 0.092 0.000 0.997 1040 E CA 1.187 57.665 56.400 0.129 0.000 0.804 1040 E CB -0.118 29.619 29.700 0.062 0.000 0.757 1040 E HN 0.265 nan 8.360 nan 0.000 0.448 1041 R N 0.177 120.680 120.500 0.005 0.000 2.119 1041 R HA -0.195 4.146 4.340 0.002 0.000 0.246 1041 R C 2.436 178.759 176.300 0.038 0.000 1.146 1041 R CA 1.876 57.965 56.100 -0.019 0.000 0.962 1041 R CB -0.312 29.953 30.300 -0.058 0.000 0.863 1041 R HN 0.330 nan 8.270 nan 0.000 0.442 1042 I N 0.497 121.089 120.570 0.037 0.000 2.252 1042 I HA -0.229 3.942 4.170 0.002 0.000 0.245 1042 I C 2.078 178.250 176.117 0.091 0.000 1.102 1042 I CA 0.986 62.303 61.300 0.029 0.000 1.385 1042 I CB -0.284 37.730 38.000 0.023 0.000 1.064 1042 I HN 0.156 nan 8.210 nan 0.000 0.414 1043 E N 0.527 120.833 120.200 0.178 0.000 2.171 1043 E HA -0.261 4.090 4.350 0.002 0.000 0.197 1043 E C 1.942 178.819 176.600 0.462 0.000 0.997 1043 E CA 1.380 57.942 56.400 0.270 0.000 0.810 1043 E CB -0.453 29.450 29.700 0.338 0.000 0.738 1043 E HN 0.426 nan 8.360 nan 0.000 0.467 1044 F N 1.423 121.522 119.950 0.247 0.000 2.084 1044 F HA -0.135 4.393 4.527 0.002 0.000 0.296 1044 F C 2.244 178.033 175.800 -0.019 0.000 1.111 1044 F CA 0.950 58.982 58.000 0.054 0.000 1.224 1044 F CB -0.725 38.102 39.000 -0.288 0.000 0.991 1044 F HN 0.047 nan 8.300 nan 0.000 0.471 1045 L N 1.376 122.494 121.223 -0.174 0.000 2.051 1045 L HA -0.290 4.051 4.340 0.002 0.000 0.214 1045 L C 2.254 178.977 176.870 -0.245 0.000 1.076 1045 L CA 2.495 57.151 54.840 -0.306 0.000 0.758 1045 L CB -1.475 40.469 42.059 -0.191 0.000 0.890 1045 L HN 0.413 nan 8.230 nan 0.000 0.433 1046 N N -0.193 118.434 118.700 -0.121 0.000 2.120 1046 N HA -0.301 4.440 4.740 0.002 0.000 0.188 1046 N C 1.951 177.361 175.510 -0.168 0.000 1.024 1046 N CA 1.761 54.744 53.050 -0.113 0.000 0.852 1046 N CB -0.144 38.315 38.487 -0.047 0.000 1.003 1046 N HN 0.711 nan 8.380 nan 0.000 0.424 1047 E N 0.136 120.271 120.200 -0.108 0.000 2.085 1047 E HA -0.156 4.195 4.350 0.002 0.000 0.194 1047 E C 1.886 178.336 176.600 -0.250 0.000 0.994 1047 E CA 1.330 57.672 56.400 -0.096 0.000 0.801 1047 E CB -0.153 29.628 29.700 0.135 0.000 0.743 1047 E HN 0.470 nan 8.360 nan 0.000 0.453 1048 A N 0.394 122.996 122.820 -0.364 0.000 1.855 1048 A HA -0.148 4.173 4.320 0.002 0.000 0.215 1048 A C 2.365 179.678 177.584 -0.452 0.000 1.191 1048 A CA 1.612 53.389 52.037 -0.434 0.000 0.613 1048 A CB -0.758 17.937 19.000 -0.508 0.000 0.829 1048 A HN 0.299 nan 8.150 nan 0.000 0.442 1049 S N -0.100 115.378 115.700 -0.370 0.000 2.404 1049 S HA -0.252 4.219 4.470 0.002 0.000 0.230 1049 S C 1.875 176.229 174.600 -0.409 0.000 1.046 1049 S CA 2.369 60.382 58.200 -0.312 0.000 1.135 1049 S CB -1.220 61.855 63.200 -0.209 0.000 1.056 1049 S HN 1.053 nan 8.310 nan 0.000 0.426 1050 V N -0.449 119.161 119.914 -0.506 0.000 3.330 1050 V HA 0.044 4.165 4.120 0.002 0.000 0.273 1050 V C 1.526 176.730 176.094 -1.483 0.000 1.179 1050 V CA 1.326 63.108 62.300 -0.862 0.000 1.174 1050 V CB -1.055 30.204 31.823 -0.940 0.000 0.794 1050 V HN 0.403 nan 8.190 nan 0.000 0.527 1051 M N -0.548 118.440 119.600 -1.020 0.000 2.516 1051 M HA 0.127 4.609 4.480 0.002 0.000 0.259 1051 M C 2.060 177.958 176.300 -0.670 0.000 1.146 1051 M CA 0.680 55.405 55.300 -0.959 0.000 1.122 1051 M CB 0.007 32.251 32.600 -0.594 0.000 1.341 1051 M HN 0.239 nan 8.290 nan 0.000 0.478 1052 K N 0.447 120.472 120.400 -0.625 0.000 2.281 1052 K HA -0.078 4.243 4.320 0.002 0.000 0.203 1052 K C 1.416 178.035 176.600 0.031 0.000 1.046 1052 K CA 0.997 57.013 56.287 -0.451 0.000 0.938 1052 K CB -0.162 32.163 32.500 -0.292 0.000 0.737 1052 K HN 0.382 nan 8.250 nan 0.000 0.458 1053 G N 0.163 108.931 108.800 -0.055 0.000 3.137 1053 G HA2 0.197 4.158 3.960 0.002 0.000 0.163 1053 G HA3 0.197 4.158 3.960 0.002 0.000 0.163 1053 G C -0.459 174.623 174.900 0.303 0.000 1.602 1053 G CA -0.571 44.642 45.100 0.189 0.000 1.067 1053 G HN 0.180 nan 8.290 nan 0.000 0.568 1054 F N 0.408 120.410 119.950 0.086 0.000 2.688 1054 F HA -0.149 4.379 4.527 0.002 0.000 0.276 1054 F C 1.072 176.919 175.800 0.079 0.000 1.034 1054 F CA 0.318 58.416 58.000 0.164 0.000 0.991 1054 F CB -2.411 36.504 39.000 -0.141 0.000 1.119 1054 F HN 0.462 nan 8.300 nan 0.000 0.837 1055 T N -1.045 113.665 114.554 0.260 0.000 3.029 1055 T HA 0.583 4.934 4.350 0.002 0.000 0.346 1055 T C -0.279 174.246 174.700 -0.292 0.000 1.211 1055 T CA -0.345 61.782 62.100 0.046 0.000 1.009 1055 T CB 1.236 70.177 68.868 0.122 0.000 1.084 1055 T HN 0.755 nan 8.240 nan 0.000 0.536 1056 C N 3.932 122.964 119.300 -0.447 0.000 2.701 1056 C HA 0.508 4.969 4.460 0.002 0.000 0.336 1056 C C 1.473 176.267 174.990 -0.327 0.000 1.123 1056 C CA -0.536 58.087 59.018 -0.657 0.000 1.326 1056 C CB 0.367 27.232 27.740 -1.457 0.000 1.833 1056 C HN 1.062 nan 8.230 nan 0.000 0.473 1057 H N 2.305 121.131 119.070 -0.408 0.000 2.400 1057 H HA -0.154 4.403 4.556 0.002 0.000 0.295 1057 H C 1.080 176.317 175.328 -0.151 0.000 1.118 1057 H CA 2.659 58.516 56.048 -0.319 0.000 1.256 1057 H CB -0.169 29.311 29.762 -0.470 0.000 1.365 1057 H HN 0.875 nan 8.280 nan 0.000 0.502 1058 H N -1.332 117.655 119.070 -0.139 0.000 2.655 1058 H HA 0.428 4.985 4.556 0.002 0.000 0.309 1058 H C -0.754 174.508 175.328 -0.109 0.000 1.180 1058 H CA -0.443 55.519 56.048 -0.144 0.000 1.087 1058 H CB 0.298 30.027 29.762 -0.055 0.000 1.494 1058 H HN -0.039 nan 8.280 nan 0.000 0.515 1059 V N 1.614 121.526 119.914 -0.003 0.000 2.752 1059 V HA 0.029 4.151 4.120 0.002 0.000 0.302 1059 V C -0.017 176.133 176.094 0.093 0.000 1.133 1059 V CA -1.222 61.135 62.300 0.094 0.000 0.919 1059 V CB 2.396 34.246 31.823 0.044 0.000 1.026 1059 V HN 0.267 nan 8.190 nan 0.000 0.429 1060 V N 3.435 123.436 119.914 0.146 0.000 2.673 1060 V HA 0.425 4.546 4.120 0.002 0.000 0.303 1060 V C 0.326 176.489 176.094 0.114 0.000 1.046 1060 V CA -0.065 62.290 62.300 0.091 0.000 1.126 1060 V CB 0.628 32.497 31.823 0.077 0.000 0.934 1060 V HN 0.944 nan 8.190 nan 0.000 0.487 1061 R N 4.722 125.260 120.500 0.064 0.000 2.340 1061 R HA 0.427 4.768 4.340 0.002 0.000 0.300 1061 R C -0.224 176.095 176.300 0.031 0.000 1.069 1061 R CA -0.760 55.377 56.100 0.060 0.000 0.984 1061 R CB 0.941 31.283 30.300 0.069 0.000 1.003 1061 R HN 0.892 nan 8.270 nan 0.000 0.459 1062 L N 4.980 126.178 121.223 -0.042 0.000 2.439 1062 L HA 0.086 4.427 4.340 0.002 0.000 0.269 1062 L C -0.120 176.722 176.870 -0.046 0.000 1.179 1062 L CA 0.395 55.131 54.840 -0.173 0.000 0.828 1062 L CB 1.257 43.011 42.059 -0.508 0.000 1.106 1062 L HN 0.792 nan 8.230 nan 0.000 0.467 1063 L N 3.244 124.471 121.223 0.007 0.000 2.920 1063 L HA 0.517 4.858 4.340 0.002 0.000 0.257 1063 L C 0.300 177.324 176.870 0.258 0.000 1.150 1063 L CA 0.553 55.493 54.840 0.167 0.000 0.959 1063 L CB 0.572 42.695 42.059 0.108 0.000 1.321 1063 L HN 0.871 nan 8.230 nan 0.000 0.555 1064 G N -1.205 107.711 108.800 0.193 0.000 2.312 1064 G HA2 0.353 4.314 3.960 0.002 0.000 0.347 1064 G HA3 0.353 4.314 3.960 0.002 0.000 0.347 1064 G C -1.745 173.219 174.900 0.107 0.000 1.564 1064 G CA -0.466 44.795 45.100 0.268 0.000 0.981 1064 G HN -0.126 nan 8.290 nan 0.000 0.678 1065 V N -0.347 119.643 119.914 0.127 0.000 3.096 1065 V HA 0.855 4.976 4.120 0.002 0.000 0.319 1065 V C 0.072 176.214 176.094 0.079 0.000 1.103 1065 V CA -0.852 61.482 62.300 0.056 0.000 1.016 1065 V CB 2.121 33.951 31.823 0.012 0.000 1.090 1065 V HN 1.085 nan 8.190 nan 0.000 0.449 1066 V N 1.208 121.164 119.914 0.070 0.000 2.558 1066 V HA 0.179 4.300 4.120 0.002 0.000 0.261 1066 V C 0.770 176.919 176.094 0.092 0.000 0.958 1066 V CA 0.357 62.702 62.300 0.074 0.000 0.852 1066 V CB 0.934 32.796 31.823 0.065 0.000 1.067 1066 V HN 1.035 nan 8.190 nan 0.000 0.468 1067 S N 1.110 116.870 115.700 0.099 0.000 2.470 1067 S HA 0.076 4.547 4.470 0.002 0.000 0.225 1067 S C 1.292 175.962 174.600 0.117 0.000 1.006 1067 S CA 0.633 58.919 58.200 0.144 0.000 0.934 1067 S CB -0.256 63.031 63.200 0.145 0.000 0.778 1067 S HN 0.870 nan 8.310 nan 0.000 0.517 1068 K N 2.081 122.522 120.400 0.070 0.000 2.366 1068 K HA 0.508 4.829 4.320 0.002 0.000 0.279 1068 K C 1.291 177.909 176.600 0.029 0.000 1.098 1068 K CA 0.440 56.748 56.287 0.035 0.000 1.087 1068 K CB -1.798 30.718 32.500 0.026 0.000 0.901 1068 K HN 1.298 nan 8.250 nan 0.000 0.463 1069 G N 1.511 110.313 108.800 0.003 0.000 2.527 1069 G HA2 -0.226 3.735 3.960 0.002 0.000 0.268 1069 G HA3 -0.226 3.735 3.960 0.002 0.000 0.268 1069 G C -0.267 174.652 174.900 0.032 0.000 1.175 1069 G CA 0.353 45.450 45.100 -0.005 0.000 0.962 1069 G HN 1.127 nan 8.290 nan 0.000 0.560 1070 Q N 0.924 120.740 119.800 0.027 0.000 2.323 1070 Q HA 0.609 4.950 4.340 0.002 0.000 0.271 1070 Q C -2.427 173.589 176.000 0.025 0.000 1.048 1070 Q CA -1.496 54.332 55.803 0.042 0.000 0.792 1070 Q CB 3.071 31.825 28.738 0.027 0.000 1.280 1070 Q HN 0.665 nan 8.270 nan 0.000 0.441 1071 P HA 0.304 nan 4.420 nan 0.000 0.287 1071 P C -0.723 176.635 177.300 0.098 0.000 1.292 1071 P CA -0.573 62.565 63.100 0.064 0.000 0.879 1071 P CB 1.173 32.892 31.700 0.031 0.000 1.214 1072 T N 1.093 115.742 114.554 0.158 0.000 2.902 1072 T HA 0.263 4.614 4.350 0.002 0.000 0.301 1072 T C 0.118 174.930 174.700 0.187 0.000 1.012 1072 T CA 0.288 62.507 62.100 0.198 0.000 1.151 1072 T CB -0.396 68.631 68.868 0.266 0.000 0.946 1072 T HN 0.165 nan 8.240 nan 0.000 0.542 1073 L N 3.813 125.128 121.223 0.154 0.000 2.372 1073 L HA 0.483 4.824 4.340 0.002 0.000 0.273 1073 L C -0.527 176.418 176.870 0.126 0.000 0.989 1073 L CA -1.089 53.838 54.840 0.144 0.000 0.841 1073 L CB 1.688 43.797 42.059 0.084 0.000 1.225 1073 L HN 0.319 nan 8.230 nan 0.000 0.414 1074 V N 4.113 124.129 119.914 0.171 0.000 2.364 1074 V HA 0.318 4.439 4.120 0.002 0.000 0.272 1074 V C 0.375 176.510 176.094 0.070 0.000 1.036 1074 V CA -0.608 61.730 62.300 0.064 0.000 0.880 1074 V CB 1.716 33.550 31.823 0.017 0.000 0.991 1074 V HN 0.541 nan 8.190 nan 0.000 0.460 1075 V N 4.689 124.627 119.914 0.039 0.000 2.834 1075 V HA 0.861 4.982 4.120 0.002 0.000 0.313 1075 V C -0.397 175.714 176.094 0.028 0.000 1.060 1075 V CA -0.662 61.668 62.300 0.049 0.000 0.989 1075 V CB 1.800 33.657 31.823 0.058 0.000 1.041 1075 V HN 0.945 nan 8.190 nan 0.000 0.459 1076 M N 0.956 120.580 119.600 0.039 0.000 2.643 1076 M HA 0.513 4.994 4.480 0.002 0.000 0.276 1076 M C -0.910 175.413 176.300 0.039 0.000 1.200 1076 M CA -0.729 54.590 55.300 0.032 0.000 0.863 1076 M CB 1.970 34.586 32.600 0.028 0.000 1.711 1076 M HN 0.912 nan 8.290 nan 0.000 0.492 1077 E N 1.875 122.098 120.200 0.038 0.000 2.498 1077 E HA 0.275 4.626 4.350 0.002 0.000 0.252 1077 E C -0.685 175.926 176.600 0.019 0.000 1.025 1077 E CA -0.555 55.864 56.400 0.032 0.000 0.938 1077 E CB 0.430 30.148 29.700 0.031 0.000 0.947 1077 E HN 0.565 nan 8.360 nan 0.000 0.478 1078 L N 4.410 125.644 121.223 0.018 0.000 2.499 1078 L HA 0.061 4.402 4.340 0.002 0.000 0.273 1078 L C -0.436 176.428 176.870 -0.012 0.000 1.195 1078 L CA 0.519 55.362 54.840 0.007 0.000 0.882 1078 L CB 0.529 42.593 42.059 0.008 0.000 1.133 1078 L HN 0.674 nan 8.230 nan 0.000 0.483 1079 M N 6.104 125.688 119.600 -0.026 0.000 2.055 1079 M HA 0.252 4.733 4.480 0.002 0.000 0.346 1079 M C 1.301 177.558 176.300 -0.072 0.000 1.074 1079 M CA -0.148 55.120 55.300 -0.053 0.000 1.009 1079 M CB 0.522 33.091 32.600 -0.051 0.000 1.423 1079 M HN 0.893 nan 8.290 nan 0.000 0.410 1080 A N 2.225 124.976 122.820 -0.114 0.000 2.038 1080 A HA -0.206 4.115 4.320 0.002 0.000 0.224 1080 A C 1.327 178.709 177.584 -0.336 0.000 1.190 1080 A CA 1.890 53.787 52.037 -0.234 0.000 0.668 1080 A CB -0.688 18.120 19.000 -0.319 0.000 0.820 1080 A HN 0.808 nan 8.150 nan 0.000 0.474 1081 H N -1.115 117.910 119.070 -0.076 0.000 2.488 1081 H HA 0.378 4.935 4.556 0.002 0.000 0.294 1081 H C 1.494 176.808 175.328 -0.022 0.000 1.088 1081 H CA 0.390 56.401 56.048 -0.062 0.000 1.086 1081 H CB -0.607 29.035 29.762 -0.200 0.000 1.569 1081 H HN 0.706 nan 8.280 nan 0.000 0.548 1082 G N 2.020 110.858 108.800 0.063 0.000 2.601 1082 G HA2 -0.281 3.680 3.960 0.002 0.000 0.261 1082 G HA3 -0.281 3.680 3.960 0.002 0.000 0.261 1082 G C 0.052 174.984 174.900 0.053 0.000 1.289 1082 G CA 0.046 45.182 45.100 0.060 0.000 0.920 1082 G HN 0.517 nan 8.290 nan 0.000 0.571 1083 D N -0.130 120.305 120.400 0.060 0.000 2.360 1083 D HA 0.287 4.928 4.640 0.002 0.000 0.242 1083 D C 1.661 178.021 176.300 0.101 0.000 1.184 1083 D CA -0.164 53.864 54.000 0.048 0.000 0.930 1083 D CB 1.243 42.060 40.800 0.029 0.000 1.161 1083 D HN 0.539 nan 8.370 nan 0.000 0.447 1084 L N 0.798 122.070 121.223 0.082 0.000 2.072 1084 L HA -0.103 4.238 4.340 0.002 0.000 0.205 1084 L C 2.407 179.365 176.870 0.146 0.000 1.079 1084 L CA 1.718 56.639 54.840 0.135 0.000 0.752 1084 L CB -1.074 41.034 42.059 0.081 0.000 0.906 1084 L HN 0.629 nan 8.230 nan 0.000 0.436 1085 K N -0.399 120.060 120.400 0.098 0.000 1.987 1085 K HA -0.245 4.076 4.320 0.002 0.000 0.216 1085 K C 2.204 178.855 176.600 0.085 0.000 1.051 1085 K CA 2.431 58.773 56.287 0.091 0.000 0.942 1085 K CB -0.438 32.116 32.500 0.089 0.000 0.722 1085 K HN 0.580 nan 8.250 nan 0.000 0.444 1086 S N -0.224 115.532 115.700 0.093 0.000 2.374 1086 S HA -0.257 4.214 4.470 0.002 0.000 0.227 1086 S C 2.123 176.788 174.600 0.109 0.000 1.037 1086 S CA 1.444 59.698 58.200 0.090 0.000 1.024 1086 S CB -0.966 62.291 63.200 0.095 0.000 0.861 1086 S HN 0.543 nan 8.310 nan 0.000 0.456 1087 Y N 2.283 122.602 120.300 0.033 0.000 2.181 1087 Y HA 0.036 4.587 4.550 0.001 0.000 0.288 1087 Y C 2.070 177.965 175.900 -0.009 0.000 1.146 1087 Y CA 1.085 59.201 58.100 0.027 0.000 1.164 1087 Y CB -0.511 37.974 38.460 0.041 0.000 0.982 1087 Y HN 0.238 nan 8.280 nan 0.000 0.515 1088 L N -0.208 120.950 121.223 -0.108 0.000 1.976 1088 L HA -0.273 4.068 4.340 0.002 0.000 0.209 1088 L C 2.659 179.404 176.870 -0.209 0.000 1.071 1088 L CA 1.836 56.553 54.840 -0.206 0.000 0.746 1088 L CB -0.547 41.470 42.059 -0.069 0.000 0.890 1088 L HN 0.167 nan 8.230 nan 0.000 0.432 1089 R N 0.060 120.497 120.500 -0.106 0.000 2.103 1089 R HA -0.177 4.164 4.340 0.002 0.000 0.242 1089 R C 2.250 178.481 176.300 -0.115 0.000 1.142 1089 R CA 1.754 57.803 56.100 -0.086 0.000 0.960 1089 R CB -0.783 29.500 30.300 -0.028 0.000 0.858 1089 R HN 0.487 nan 8.270 nan 0.000 0.439 1090 S N 0.624 116.243 115.700 -0.134 0.000 2.571 1090 S HA -0.046 4.425 4.470 0.002 0.000 0.245 1090 S C 1.630 176.120 174.600 -0.183 0.000 0.976 1090 S CA 0.790 58.914 58.200 -0.126 0.000 0.954 1090 S CB -0.197 62.954 63.200 -0.082 0.000 0.756 1090 S HN 0.290 nan 8.310 nan 0.000 0.535 1091 L N -0.300 120.779 121.223 -0.240 0.000 2.664 1091 L HA 0.291 4.632 4.340 0.002 0.000 0.233 1091 L C 0.733 177.511 176.870 -0.155 0.000 1.113 1091 L CA -0.290 54.411 54.840 -0.232 0.000 0.896 1091 L CB 0.039 41.903 42.059 -0.325 0.000 1.163 1091 L HN 0.145 nan 8.230 nan 0.000 0.497 1092 R N 1.181 121.605 120.500 -0.126 0.000 2.484 1092 R HA 0.010 4.351 4.340 0.002 0.000 0.293 1092 R C -1.381 174.873 176.300 -0.076 0.000 1.023 1092 R CA -1.308 54.735 56.100 -0.095 0.000 1.037 1092 R CB 0.140 30.394 30.300 -0.078 0.000 0.951 1092 R HN -0.133 nan 8.270 nan 0.000 0.418 1093 P HA -0.348 nan 4.420 nan 0.000 0.222 1093 P C 0.537 177.812 177.300 -0.042 0.000 1.154 1093 P CA 1.752 64.820 63.100 -0.054 0.000 0.874 1093 P CB 0.163 31.833 31.700 -0.049 0.000 0.787 1094 E N 0.193 120.369 120.200 -0.040 0.000 1.996 1094 E HA -0.011 4.340 4.350 0.002 0.000 0.197 1094 E C 0.837 177.420 176.600 -0.028 0.000 1.002 1094 E CA 0.517 56.900 56.400 -0.030 0.000 0.840 1094 E CB -1.261 28.422 29.700 -0.027 0.000 0.786 1094 E HN 0.070 nan 8.360 nan 0.000 0.469 1095 A N 1.609 124.410 122.820 -0.032 0.000 1.766 1095 A HA -0.184 4.137 4.320 0.002 0.000 0.343 1095 A C 1.229 178.803 177.584 -0.017 0.000 0.831 1095 A CA 1.278 53.297 52.037 -0.029 0.000 1.561 1095 A CB -1.050 17.923 19.000 -0.046 0.000 0.616 1095 A HN 0.646 nan 8.150 nan 0.000 0.191 1096 E N 2.626 122.822 120.200 -0.008 0.000 2.150 1096 E HA -0.221 4.130 4.350 0.002 0.000 0.193 1096 E C 1.223 177.826 176.600 0.005 0.000 0.985 1096 E CA 1.512 57.912 56.400 -0.000 0.000 0.814 1096 E CB -0.588 29.115 29.700 0.004 0.000 0.752 1096 E HN 1.254 nan 8.360 nan 0.000 0.466 1097 N N 0.337 119.040 118.700 0.006 0.000 2.251 1097 N HA -0.035 4.706 4.740 0.002 0.000 0.217 1097 N C -0.000 175.516 175.510 0.011 0.000 1.124 1097 N CA -0.229 52.831 53.050 0.017 0.000 0.843 1097 N CB -0.373 38.132 38.487 0.029 0.000 1.024 1097 N HN 0.250 nan 8.380 nan 0.000 0.501 1098 N N 3.215 121.909 118.700 -0.009 0.000 2.414 1098 N HA -0.011 4.730 4.740 0.002 0.000 0.268 1098 N C -1.289 174.219 175.510 -0.004 0.000 1.286 1098 N CA -0.625 52.409 53.050 -0.027 0.000 0.896 1098 N CB 0.954 39.417 38.487 -0.039 0.000 1.093 1098 N HN 0.163 nan 8.380 nan 0.000 0.480 1099 P HA 0.045 nan 4.420 nan 0.000 0.251 1099 P C 0.426 177.742 177.300 0.027 0.000 1.251 1099 P CA 0.501 63.627 63.100 0.043 0.000 0.763 1099 P CB -0.243 31.506 31.700 0.081 0.000 1.067 1100 G N 0.973 109.773 108.800 -0.000 0.000 2.149 1100 G HA2 -0.237 3.724 3.960 0.002 0.000 0.235 1100 G HA3 -0.237 3.724 3.960 0.002 0.000 0.235 1100 G C -0.003 174.887 174.900 -0.017 0.000 1.018 1100 G CA 0.066 45.165 45.100 -0.003 0.000 0.728 1100 G HN 0.696 nan 8.290 nan 0.000 0.508 1101 R N -0.982 119.492 120.500 -0.043 0.000 2.799 1101 R HA 0.829 5.170 4.340 0.002 0.000 0.270 1101 R C -2.896 173.351 176.300 -0.088 0.000 1.010 1101 R CA -1.906 54.157 56.100 -0.063 0.000 0.916 1101 R CB 1.567 31.818 30.300 -0.081 0.000 1.228 1101 R HN 0.099 nan 8.270 nan 0.000 0.469 1102 P HA 0.216 nan 4.420 nan 0.000 0.276 1102 P C -2.414 174.811 177.300 -0.124 0.000 1.244 1102 P CA -1.374 61.670 63.100 -0.094 0.000 0.801 1102 P CB 0.316 31.971 31.700 -0.074 0.000 1.006 1103 P HA 0.119 nan 4.420 nan 0.000 0.267 1103 P C -2.383 174.838 177.300 -0.132 0.000 1.200 1103 P CA -0.947 62.066 63.100 -0.145 0.000 0.772 1103 P CB -1.329 30.294 31.700 -0.128 0.000 0.855 1104 P HA -0.063 nan 4.420 nan 0.000 0.261 1104 P C 0.504 177.749 177.300 -0.093 0.000 1.165 1104 P CA 0.693 63.724 63.100 -0.114 0.000 0.759 1104 P CB -0.164 31.474 31.700 -0.103 0.000 0.772 1105 T N 0.798 115.305 114.554 -0.080 0.000 2.766 1105 T HA 0.036 4.387 4.350 0.002 0.000 0.295 1105 T C 1.147 175.810 174.700 -0.063 0.000 1.024 1105 T CA -0.699 61.362 62.100 -0.066 0.000 1.018 1105 T CB 0.322 69.156 68.868 -0.055 0.000 1.002 1105 T HN 0.217 nan 8.240 nan 0.000 0.532 1106 L N 0.380 121.568 121.223 -0.058 0.000 2.079 1106 L HA -0.076 4.265 4.340 0.002 0.000 0.210 1106 L C 2.703 179.542 176.870 -0.052 0.000 1.081 1106 L CA 1.897 56.703 54.840 -0.057 0.000 0.752 1106 L CB -1.428 40.600 42.059 -0.052 0.000 0.896 1106 L HN 0.960 nan 8.230 nan 0.000 0.433 1107 Q N -0.302 119.470 119.800 -0.046 0.000 2.030 1107 Q HA -0.295 4.046 4.340 0.002 0.000 0.204 1107 Q C 2.164 178.141 176.000 -0.038 0.000 0.986 1107 Q CA 2.370 58.149 55.803 -0.040 0.000 0.843 1107 Q CB -0.187 28.531 28.738 -0.034 0.000 0.904 1107 Q HN 0.700 nan 8.270 nan 0.000 0.420 1108 E N -0.105 120.073 120.200 -0.037 0.000 2.097 1108 E HA -0.223 4.128 4.350 0.002 0.000 0.196 1108 E C 2.098 178.678 176.600 -0.034 0.000 1.000 1108 E CA 1.904 58.285 56.400 -0.031 0.000 0.804 1108 E CB -0.072 29.601 29.700 -0.046 0.000 0.740 1108 E HN 0.441 nan 8.360 nan 0.000 0.454 1109 M N 0.064 119.634 119.600 -0.048 0.000 2.065 1109 M HA -0.196 4.285 4.480 0.002 0.000 0.259 1109 M C 2.135 178.406 176.300 -0.047 0.000 1.069 1109 M CA 1.109 56.378 55.300 -0.052 0.000 1.110 1109 M CB -0.339 32.220 32.600 -0.069 0.000 1.328 1109 M HN 0.138 nan 8.290 nan 0.000 0.405 1110 I N 0.494 121.031 120.570 -0.055 0.000 2.194 1110 I HA -0.306 3.865 4.170 0.002 0.000 0.246 1110 I C 2.525 178.589 176.117 -0.087 0.000 1.093 1110 I CA 1.799 63.060 61.300 -0.065 0.000 1.355 1110 I CB -1.401 36.554 38.000 -0.075 0.000 1.046 1110 I HN 0.396 nan 8.210 nan 0.000 0.413 1111 Q N 1.050 120.803 119.800 -0.079 0.000 2.002 1111 Q HA -0.210 4.131 4.340 0.002 0.000 0.204 1111 Q C 2.312 178.260 176.000 -0.086 0.000 0.988 1111 Q CA 2.064 57.811 55.803 -0.092 0.000 0.843 1111 Q CB -0.283 28.443 28.738 -0.021 0.000 0.908 1111 Q HN 0.459 nan 8.270 nan 0.000 0.420 1112 M N -0.287 119.289 119.600 -0.041 0.000 2.163 1112 M HA -0.253 4.228 4.480 0.002 0.000 0.258 1112 M C 2.260 178.561 176.300 0.002 0.000 1.071 1112 M CA 1.890 57.176 55.300 -0.023 0.000 1.093 1112 M CB -0.964 31.636 32.600 -0.000 0.000 1.285 1112 M HN 0.343 nan 8.290 nan 0.000 0.420 1113 A N 0.491 123.332 122.820 0.035 0.000 1.940 1113 A HA -0.223 4.098 4.320 0.002 0.000 0.221 1113 A C 2.406 180.083 177.584 0.155 0.000 1.190 1113 A CA 2.736 54.871 52.037 0.163 0.000 0.647 1113 A CB -1.169 17.910 19.000 0.132 0.000 0.821 1113 A HN 0.624 nan 8.150 nan 0.000 0.457 1114 A N 0.268 123.074 122.820 -0.023 0.000 1.854 1114 A HA -0.132 4.189 4.320 0.002 0.000 0.214 1114 A C 1.973 179.522 177.584 -0.058 0.000 1.192 1114 A CA 1.525 53.489 52.037 -0.122 0.000 0.611 1114 A CB -0.609 18.153 19.000 -0.396 0.000 0.832 1114 A HN 0.747 nan 8.150 nan 0.000 0.442 1115 E N 0.130 120.243 120.200 -0.145 0.000 2.110 1115 E HA -0.168 4.183 4.350 0.002 0.000 0.193 1115 E C 1.955 178.454 176.600 -0.169 0.000 0.988 1115 E CA 1.307 57.479 56.400 -0.379 0.000 0.804 1115 E CB -0.533 28.741 29.700 -0.710 0.000 0.745 1115 E HN 0.657 nan 8.360 nan 0.000 0.458 1116 I N 1.881 122.424 120.570 -0.044 0.000 2.179 1116 I HA -0.266 3.905 4.170 0.002 0.000 0.242 1116 I C 2.771 178.874 176.117 -0.024 0.000 1.088 1116 I CA 1.257 62.576 61.300 0.032 0.000 1.357 1116 I CB -0.427 37.691 38.000 0.198 0.000 1.051 1116 I HN 0.149 nan 8.210 nan 0.000 0.409 1117 A N 0.478 123.284 122.820 -0.022 0.000 1.873 1117 A HA -0.303 4.018 4.320 0.002 0.000 0.215 1117 A C 1.972 179.525 177.584 -0.052 0.000 1.186 1117 A CA 2.260 54.189 52.037 -0.181 0.000 0.616 1117 A CB -0.875 18.026 19.000 -0.165 0.000 0.823 1117 A HN 0.474 nan 8.150 nan 0.000 0.442 1118 D N -0.667 119.814 120.400 0.135 0.000 2.126 1118 D HA -0.132 4.509 4.640 0.002 0.000 0.190 1118 D C 1.959 178.372 176.300 0.188 0.000 1.001 1118 D CA 2.201 56.397 54.000 0.326 0.000 0.841 1118 D CB -0.497 40.664 40.800 0.601 0.000 0.949 1118 D HN 0.317 nan 8.370 nan 0.000 0.446 1119 G N -0.324 108.545 108.800 0.115 0.000 2.442 1119 G HA2 -0.246 3.715 3.960 0.002 0.000 0.219 1119 G HA3 -0.246 3.715 3.960 0.002 0.000 0.219 1119 G C 1.506 176.310 174.900 -0.160 0.000 1.141 1119 G CA 0.868 45.961 45.100 -0.012 0.000 0.763 1119 G HN 0.210 nan 8.290 nan 0.000 0.554 1120 M N 0.956 120.337 119.600 -0.364 0.000 2.319 1120 M HA 0.169 4.651 4.480 0.002 0.000 0.265 1120 M C 2.877 178.885 176.300 -0.486 0.000 1.068 1120 M CA 0.831 55.724 55.300 -0.677 0.000 1.118 1120 M CB -0.961 30.591 32.600 -1.746 0.000 1.395 1120 M HN 0.325 nan 8.290 nan 0.000 0.435 1121 A N -0.800 121.880 122.820 -0.233 0.000 1.855 1121 A HA -0.212 4.109 4.320 0.002 0.000 0.215 1121 A C 2.109 179.650 177.584 -0.071 0.000 1.191 1121 A CA 1.264 53.365 52.037 0.106 0.000 0.613 1121 A CB -1.250 17.992 19.000 0.404 0.000 0.829 1121 A HN 0.469 nan 8.150 nan 0.000 0.442 1122 Y N 0.541 120.447 120.300 -0.656 0.000 2.181 1122 Y HA -0.242 4.309 4.550 0.002 0.000 0.284 1122 Y C 1.931 177.465 175.900 -0.611 0.000 1.179 1122 Y CA 1.797 59.123 58.100 -1.289 0.000 1.179 1122 Y CB -0.281 37.466 38.460 -1.188 0.000 0.973 1122 Y HN 0.246 nan 8.280 nan 0.000 0.519 1123 L N 0.036 121.031 121.223 -0.381 0.000 1.961 1123 L HA -0.298 4.043 4.340 0.002 0.000 0.210 1123 L C 2.253 179.055 176.870 -0.113 0.000 1.072 1123 L CA 1.774 56.428 54.840 -0.311 0.000 0.749 1123 L CB -0.707 41.267 42.059 -0.142 0.000 0.889 1123 L HN 0.290 nan 8.230 nan 0.000 0.432 1124 N N 0.169 118.857 118.700 -0.020 0.000 2.258 1124 N HA -0.198 4.543 4.740 0.002 0.000 0.187 1124 N C 1.713 177.219 175.510 -0.007 0.000 1.012 1124 N CA 1.418 54.502 53.050 0.057 0.000 0.870 1124 N CB -0.270 38.307 38.487 0.150 0.000 0.977 1124 N HN 0.379 nan 8.380 nan 0.000 0.434 1125 A N 2.268 125.052 122.820 -0.060 0.000 1.851 1125 A HA -0.134 4.187 4.320 0.002 0.000 0.216 1125 A C 1.797 179.300 177.584 -0.136 0.000 1.195 1125 A CA 1.366 53.376 52.037 -0.045 0.000 0.622 1125 A CB -0.220 18.784 19.000 0.007 0.000 0.831 1125 A HN 0.092 nan 8.150 nan 0.000 0.444 1126 K N 0.349 120.594 120.400 -0.259 0.000 2.632 1126 K HA 0.028 4.349 4.320 0.002 0.000 0.196 1126 K C -0.440 175.974 176.600 -0.311 0.000 1.023 1126 K CA 0.097 56.270 56.287 -0.191 0.000 1.098 1126 K CB -0.149 32.286 32.500 -0.109 0.000 0.862 1126 K HN 0.405 nan 8.250 nan 0.000 0.504 1127 K N 0.192 120.442 120.400 -0.249 0.000 4.326 1127 K HA -0.171 4.150 4.320 0.002 0.000 0.299 1127 K C -0.912 175.355 176.600 -0.555 0.000 1.005 1127 K CA 0.746 56.841 56.287 -0.320 0.000 0.935 1127 K CB -2.005 30.299 32.500 -0.326 0.000 1.551 1127 K HN 0.124 nan 8.250 nan 0.000 0.438 1128 F N -1.143 118.807 119.950 -0.001 0.000 2.608 1128 F HA 0.410 4.939 4.527 0.002 0.000 0.309 1128 F C 0.034 175.880 175.800 0.076 0.000 1.103 1128 F CA -1.016 57.008 58.000 0.040 0.000 0.954 1128 F CB 1.696 40.731 39.000 0.059 0.000 1.267 1128 F HN -0.071 nan 8.300 nan 0.000 0.444 1129 V N 3.416 123.521 119.914 0.319 0.000 2.483 1129 V HA 0.329 4.450 4.120 0.002 0.000 0.295 1129 V C 0.281 176.524 176.094 0.249 0.000 1.035 1129 V CA -0.090 62.370 62.300 0.266 0.000 0.896 1129 V CB 1.390 33.354 31.823 0.235 0.000 0.986 1129 V HN 0.946 nan 8.190 nan 0.000 0.447 1130 H N 5.430 124.599 119.070 0.165 0.000 2.497 1130 H HA 0.175 4.732 4.556 0.002 0.000 0.282 1130 H C 1.467 176.816 175.328 0.034 0.000 1.003 1130 H CA 1.248 57.371 56.048 0.125 0.000 1.307 1130 H CB 0.341 30.178 29.762 0.125 0.000 1.437 1130 H HN 0.845 nan 8.280 nan 0.000 0.544 1131 R N 0.235 120.853 120.500 0.197 0.000 3.989 1131 R HA -0.219 4.122 4.340 0.002 0.000 0.335 1131 R C -0.646 175.682 176.300 0.047 0.000 1.223 1131 R CA 1.210 57.298 56.100 -0.019 0.000 0.962 1131 R CB -1.406 28.647 30.300 -0.413 0.000 1.393 1131 R HN 0.346 nan 8.270 nan 0.000 0.554 1132 D N -0.510 120.080 120.400 0.316 0.000 4.082 1132 D HA 0.073 4.714 4.640 0.002 0.000 0.255 1132 D C -1.432 174.913 176.300 0.075 0.000 1.427 1132 D CA -0.425 53.668 54.000 0.155 0.000 0.804 1132 D CB 0.188 40.995 40.800 0.011 0.000 1.364 1132 D HN 0.048 nan 8.370 nan 0.000 0.809 1133 L N 1.776 122.989 121.223 -0.017 0.000 2.278 1133 L HA 0.823 5.164 4.340 0.002 0.000 0.287 1133 L C -0.705 176.087 176.870 -0.129 0.000 1.072 1133 L CA 0.048 54.766 54.840 -0.204 0.000 0.819 1133 L CB 0.508 42.538 42.059 -0.048 0.000 1.176 1133 L HN 0.299 nan 8.230 nan 0.000 0.435 1134 A N 3.980 126.662 122.820 -0.230 0.000 2.594 1134 A HA 0.656 4.977 4.320 0.002 0.000 0.296 1134 A C 0.713 178.216 177.584 -0.135 0.000 1.061 1134 A CA -0.178 51.696 52.037 -0.272 0.000 0.689 1134 A CB 0.516 18.913 19.000 -1.004 0.000 1.280 1134 A HN 1.152 nan 8.150 nan 0.000 0.406 1135 A N 1.938 124.772 122.820 0.024 0.000 1.957 1135 A HA -0.321 4.000 4.320 0.002 0.000 0.224 1135 A C 2.108 179.690 177.584 -0.004 0.000 1.287 1135 A CA 2.812 54.876 52.037 0.044 0.000 0.682 1135 A CB -0.842 18.231 19.000 0.122 0.000 0.833 1135 A HN 1.379 nan 8.150 nan 0.000 0.482 1136 R N -1.004 119.472 120.500 -0.040 0.000 2.127 1136 R HA -0.127 4.214 4.340 0.002 0.000 0.238 1136 R C 0.420 176.673 176.300 -0.078 0.000 1.134 1136 R CA 1.769 57.840 56.100 -0.049 0.000 0.975 1136 R CB -0.713 29.540 30.300 -0.078 0.000 0.865 1136 R HN 0.481 nan 8.270 nan 0.000 0.447 1137 N N 0.195 118.821 118.700 -0.124 0.000 2.313 1137 N HA 0.094 4.835 4.740 0.002 0.000 0.207 1137 N C -0.773 174.656 175.510 -0.134 0.000 1.141 1137 N CA 0.065 53.031 53.050 -0.139 0.000 0.830 1137 N CB 0.295 38.686 38.487 -0.161 0.000 1.008 1137 N HN 0.170 nan 8.380 nan 0.000 0.481 1138 C N 1.637 120.886 119.300 -0.086 0.000 2.379 1138 C HA 0.545 5.006 4.460 0.002 0.000 0.323 1138 C C 0.075 175.042 174.990 -0.039 0.000 1.262 1138 C CA -0.960 58.020 59.018 -0.064 0.000 1.581 1138 C CB 0.617 28.337 27.740 -0.034 0.000 2.221 1138 C HN 0.190 nan 8.230 nan 0.000 0.497 1139 M N 2.883 122.455 119.600 -0.047 0.000 2.537 1139 M HA 0.528 5.009 4.480 0.002 0.000 0.324 1139 M C -0.483 175.786 176.300 -0.052 0.000 1.187 1139 M CA -0.665 54.612 55.300 -0.038 0.000 0.993 1139 M CB 1.289 33.863 32.600 -0.043 0.000 1.666 1139 M HN 0.285 nan 8.290 nan 0.000 0.461 1140 V N 1.807 121.686 119.914 -0.059 0.000 2.398 1140 V HA 0.667 4.788 4.120 0.002 0.000 0.286 1140 V C 0.594 176.629 176.094 -0.098 0.000 1.026 1140 V CA -0.820 61.420 62.300 -0.099 0.000 0.868 1140 V CB 1.021 32.709 31.823 -0.225 0.000 0.982 1140 V HN 1.046 nan 8.190 nan 0.000 0.443 1141 A N 3.119 125.846 122.820 -0.156 0.000 2.275 1141 A HA 0.420 4.741 4.320 0.002 0.000 0.282 1141 A C 1.198 178.619 177.584 -0.271 0.000 1.275 1141 A CA 0.586 52.470 52.037 -0.254 0.000 0.842 1141 A CB -0.065 18.701 19.000 -0.390 0.000 1.280 1141 A HN 1.158 nan 8.150 nan 0.000 0.508 1142 H N -0.902 118.069 119.070 -0.166 0.000 2.428 1142 H HA -0.028 4.529 4.556 0.002 0.000 0.296 1142 H C 0.594 175.663 175.328 -0.432 0.000 1.062 1142 H CA 1.285 57.174 56.048 -0.266 0.000 1.350 1142 H CB -0.367 29.267 29.762 -0.215 0.000 1.403 1142 H HN 0.577 nan 8.280 nan 0.000 0.533 1143 D N 0.205 120.388 120.400 -0.362 0.000 2.352 1143 D HA -0.100 4.541 4.640 0.002 0.000 0.236 1143 D C -0.222 176.014 176.300 -0.108 0.000 1.148 1143 D CA -0.652 53.266 54.000 -0.136 0.000 0.844 1143 D CB -1.082 39.722 40.800 0.007 0.000 0.933 1143 D HN 0.370 nan 8.370 nan 0.000 0.507 1144 F N -0.684 119.248 119.950 -0.030 0.000 3.084 1144 F HA -0.248 4.280 4.527 0.001 0.000 0.286 1144 F C 0.481 176.220 175.800 -0.102 0.000 0.855 1144 F CA 0.504 58.438 58.000 -0.111 0.000 1.091 1144 F CB -2.782 36.172 39.000 -0.077 0.000 1.177 1144 F HN -0.058 nan 8.300 nan 0.000 0.542 1145 T N 0.583 115.120 114.554 -0.029 0.000 2.910 1145 T HA 0.604 4.955 4.350 0.002 0.000 0.293 1145 T C 0.390 175.038 174.700 -0.087 0.000 1.015 1145 T CA -0.457 61.612 62.100 -0.052 0.000 1.094 1145 T CB 1.779 70.583 68.868 -0.106 0.000 0.968 1145 T HN -0.019 nan 8.240 nan 0.000 0.521 1146 V N 4.043 123.901 119.914 -0.093 0.000 2.483 1146 V HA 0.528 4.649 4.120 0.002 0.000 0.295 1146 V C -0.029 176.003 176.094 -0.103 0.000 1.035 1146 V CA -0.666 61.582 62.300 -0.086 0.000 0.896 1146 V CB 1.559 33.349 31.823 -0.057 0.000 0.986 1146 V HN 0.758 nan 8.190 nan 0.000 0.447 1147 K N 3.998 124.355 120.400 -0.071 0.000 2.469 1147 K HA 0.596 4.917 4.320 0.002 0.000 0.254 1147 K C -1.306 175.279 176.600 -0.025 0.000 0.939 1147 K CA -0.921 55.344 56.287 -0.036 0.000 0.812 1147 K CB 2.611 35.084 32.500 -0.045 0.000 1.301 1147 K HN 0.370 nan 8.250 nan 0.000 0.433 1148 I N 2.238 122.816 120.570 0.012 0.000 2.556 1148 I HA 0.162 4.333 4.170 0.002 0.000 0.284 1148 I C 0.837 176.903 176.117 -0.085 0.000 1.114 1148 I CA 0.489 61.775 61.300 -0.023 0.000 1.418 1148 I CB 0.458 38.510 38.000 0.086 0.000 1.394 1148 I HN 0.792 nan 8.210 nan 0.000 0.552 1149 G N 3.586 112.223 108.800 -0.271 0.000 2.929 1149 G HA2 0.418 4.379 3.960 0.002 0.000 0.283 1149 G HA3 0.418 4.379 3.960 0.002 0.000 0.283 1149 G C -0.883 173.610 174.900 -0.678 0.000 1.358 1149 G CA -0.433 44.425 45.100 -0.404 0.000 0.995 1149 G HN 0.606 nan 8.290 nan 0.000 0.507 1150 D N -1.717 118.356 120.400 -0.545 0.000 4.307 1150 D HA -0.182 4.459 4.640 0.002 0.000 0.231 1150 D C -0.444 175.477 176.300 -0.632 0.000 1.031 1150 D CA 0.526 54.276 54.000 -0.417 0.000 1.233 1150 D CB -0.714 39.951 40.800 -0.225 0.000 0.755 1150 D HN 0.251 nan 8.370 nan 0.000 0.379 1151 F N 1.708 121.576 119.950 -0.136 0.000 2.850 1151 F HA 0.401 4.929 4.527 0.002 0.000 0.306 1151 F C 2.086 177.685 175.800 -0.335 0.000 1.162 1151 F CA -0.112 57.699 58.000 -0.315 0.000 1.327 1151 F CB 0.611 39.461 39.000 -0.250 0.000 0.953 1151 F HN 0.393 nan 8.300 nan 0.000 0.507 1152 G N 0.288 108.930 108.800 -0.265 0.000 2.442 1152 G HA2 -0.257 3.704 3.960 0.002 0.000 0.219 1152 G HA3 -0.257 3.704 3.960 0.002 0.000 0.219 1152 G C 1.462 176.161 174.900 -0.333 0.000 1.141 1152 G CA 0.807 45.659 45.100 -0.412 0.000 0.763 1152 G HN 0.351 nan 8.290 nan 0.000 0.554 1153 M N 0.807 120.215 119.600 -0.319 0.000 2.371 1153 M HA 0.164 4.645 4.480 0.002 0.000 0.246 1153 M C 0.408 176.575 176.300 -0.222 0.000 1.103 1153 M CA 0.020 55.157 55.300 -0.271 0.000 1.010 1153 M CB 0.686 33.116 32.600 -0.284 0.000 1.457 1153 M HN -0.112 nan 8.290 nan 0.000 0.486 1154 T N 2.639 117.057 114.554 -0.226 0.000 2.928 1154 T HA 0.171 4.522 4.350 0.002 0.000 0.305 1154 T C 0.259 174.955 174.700 -0.007 0.000 1.035 1154 T CA 0.132 62.161 62.100 -0.118 0.000 1.145 1154 T CB 0.376 69.171 68.868 -0.121 0.000 0.963 1154 T HN 0.175 nan 8.240 nan 0.000 0.545 1155 R N 1.860 122.442 120.500 0.137 0.000 2.795 1155 R HA 0.418 4.759 4.340 0.002 0.000 0.275 1155 R C -0.814 175.722 176.300 0.394 0.000 0.981 1155 R CA -0.986 55.235 56.100 0.202 0.000 0.917 1155 R CB 1.545 31.910 30.300 0.108 0.000 1.202 1155 R HN 0.655 nan 8.270 nan 0.000 0.469 1156 D N 1.315 121.875 120.400 0.267 0.000 2.302 1156 D HA 0.416 5.057 4.640 0.002 0.000 0.248 1156 D C 0.174 176.443 176.300 -0.051 0.000 1.094 1156 D CA -0.284 53.733 54.000 0.028 0.000 0.897 1156 D CB 0.736 41.553 40.800 0.029 0.000 1.200 1156 D HN 0.431 nan 8.370 nan 0.000 0.429 1160 T N 1.036 115.591 114.554 0.001 0.000 2.321 1160 T HA -0.297 4.054 4.350 0.002 0.000 0.224 1160 T C 0.628 175.338 174.700 0.017 0.000 1.498 1160 T CA 2.148 64.256 62.100 0.013 0.000 1.144 1160 T CB -0.724 68.157 68.868 0.022 0.000 0.853 1160 T HN 0.631 nan 8.240 nan 0.000 0.411 1165 K N -0.308 120.127 120.400 0.058 0.000 5.020 1165 K HA -0.233 4.088 4.320 0.002 0.000 0.184 1165 K C 0.806 177.463 176.600 0.096 0.000 1.374 1165 K CA 3.094 59.451 56.287 0.117 0.000 0.615 1165 K CB -1.810 30.728 32.500 0.064 0.000 0.650 1165 K HN 0.444 nan 8.250 nan 0.000 0.619 1166 G N -1.187 107.655 108.800 0.071 0.000 3.847 1166 G HA2 0.456 4.417 3.960 0.002 0.000 0.189 1166 G HA3 0.456 4.417 3.960 0.002 0.000 0.189 1166 G C 1.230 176.156 174.900 0.043 0.000 0.907 1166 G CA 0.883 46.015 45.100 0.053 0.000 0.893 1166 G HN 1.834 nan 8.290 nan 0.000 0.379 1167 G N 0.141 108.971 108.800 0.051 0.000 2.692 1167 G HA2 0.386 4.347 3.960 0.002 0.000 0.686 1167 G HA3 0.386 4.347 3.960 0.002 0.000 0.686 1167 G C 0.064 174.986 174.900 0.036 0.000 1.243 1167 G CA 0.484 45.608 45.100 0.040 0.000 0.782 1167 G HN 1.500 nan 8.290 nan 0.000 0.625 1168 K N -0.871 119.549 120.400 0.032 0.000 3.851 1168 K HA 0.115 4.436 4.320 0.002 0.000 0.284 1168 K C 0.313 176.931 176.600 0.029 0.000 1.048 1168 K CA 1.553 57.857 56.287 0.028 0.000 0.862 1168 K CB -1.330 31.185 32.500 0.025 0.000 1.439 1168 K HN 2.483 nan 8.250 nan 0.000 0.446 1169 G N 1.526 110.345 108.800 0.032 0.000 2.667 1169 G HA2 0.432 4.393 3.960 0.002 0.000 0.294 1169 G HA3 0.432 4.393 3.960 0.002 0.000 0.294 1169 G C -0.788 174.128 174.900 0.026 0.000 1.467 1169 G CA -1.074 44.042 45.100 0.026 0.000 0.852 1169 G HN 0.150 nan 8.290 nan 0.000 0.521 1170 L N 1.094 122.326 121.223 0.014 0.000 2.462 1170 L HA 0.368 4.709 4.340 0.002 0.000 0.272 1170 L C -0.092 176.786 176.870 0.014 0.000 1.166 1170 L CA 0.167 55.016 54.840 0.015 0.000 0.880 1170 L CB 0.262 42.323 42.059 0.003 0.000 1.142 1170 L HN 0.246 nan 8.230 nan 0.000 0.473 1171 L N 5.469 126.719 121.223 0.045 0.000 2.409 1171 L HA 0.508 4.849 4.340 0.002 0.000 0.262 1171 L C -2.213 174.726 176.870 0.115 0.000 0.992 1171 L CA -1.567 53.316 54.840 0.072 0.000 0.817 1171 L CB 2.611 44.739 42.059 0.115 0.000 1.350 1171 L HN 0.455 nan 8.230 nan 0.000 0.411 1172 P HA 0.170 nan 4.420 nan 0.000 0.245 1172 P C 0.606 178.134 177.300 0.380 0.000 1.740 1172 P CA -0.354 62.928 63.100 0.304 0.000 1.125 1172 P CB 1.157 32.993 31.700 0.228 0.000 1.747 1173 V N 3.674 123.739 119.914 0.252 0.000 2.332 1173 V HA -0.253 3.868 4.120 0.002 0.000 0.248 1173 V C 2.508 178.664 176.094 0.102 0.000 1.055 1173 V CA 1.538 63.916 62.300 0.129 0.000 1.038 1173 V CB -0.922 30.916 31.823 0.025 0.000 0.651 1173 V HN 0.434 nan 8.190 nan 0.000 0.450 1174 R N -0.825 119.736 120.500 0.101 0.000 2.249 1174 R HA -0.154 4.187 4.340 0.002 0.000 0.230 1174 R C 1.687 177.955 176.300 -0.054 0.000 1.121 1174 R CA 1.270 57.300 56.100 -0.117 0.000 0.997 1174 R CB -0.429 29.536 30.300 -0.558 0.000 0.867 1174 R HN 0.629 nan 8.270 nan 0.000 0.465 1175 W N 0.623 122.096 121.300 0.287 0.000 2.871 1175 W HA 0.282 4.943 4.660 0.002 0.000 0.340 1175 W C 0.501 177.250 176.519 0.384 0.000 1.058 1175 W CA -0.518 57.051 57.345 0.373 0.000 1.633 1175 W CB 0.300 29.932 29.460 0.287 0.000 1.067 1175 W HN -0.060 nan 8.180 nan 0.000 0.554 1176 M N 0.462 120.300 119.600 0.395 0.000 2.409 1176 M HA 0.722 5.203 4.480 0.002 0.000 0.329 1176 M C 0.372 176.460 176.300 -0.353 0.000 1.180 1176 M CA -0.388 55.020 55.300 0.180 0.000 1.053 1176 M CB 0.914 33.647 32.600 0.222 0.000 1.586 1176 M HN -0.247 nan 8.290 nan 0.000 0.461 1177 A N 2.811 125.304 122.820 -0.544 0.000 2.386 1177 A HA 0.410 4.731 4.320 0.002 0.000 0.246 1177 A C -1.458 175.603 177.584 -0.871 0.000 1.089 1177 A CA -1.286 50.044 52.037 -1.178 0.000 0.790 1177 A CB -0.543 18.136 19.000 -0.534 0.000 1.042 1177 A HN 0.810 nan 8.150 nan 0.000 0.497 1178 P HA -0.237 nan 4.420 nan 0.000 0.215 1178 P C 1.087 178.093 177.300 -0.490 0.000 1.153 1178 P CA 1.757 64.466 63.100 -0.652 0.000 0.853 1178 P CB -0.059 31.204 31.700 -0.728 0.000 0.788 1179 E N 1.708 121.597 120.200 -0.518 0.000 2.021 1179 E HA -0.203 4.148 4.350 0.002 0.000 0.200 1179 E C 2.029 178.425 176.600 -0.339 0.000 1.015 1179 E CA 2.334 58.513 56.400 -0.369 0.000 0.824 1179 E CB -1.740 27.771 29.700 -0.315 0.000 0.762 1179 E HN 0.330 nan 8.360 nan 0.000 0.454 1180 S N 1.474 116.921 115.700 -0.421 0.000 2.423 1180 S HA -0.146 4.325 4.470 0.002 0.000 0.238 1180 S C 2.281 176.668 174.600 -0.355 0.000 1.028 1180 S CA 1.353 59.220 58.200 -0.555 0.000 1.000 1180 S CB -0.781 61.841 63.200 -0.964 0.000 0.797 1180 S HN 0.282 nan 8.310 nan 0.000 0.487 1181 L N -0.165 120.891 121.223 -0.280 0.000 2.201 1181 L HA 0.004 4.345 4.340 0.002 0.000 0.212 1181 L C 2.513 179.300 176.870 -0.139 0.000 1.105 1181 L CA 1.320 56.051 54.840 -0.181 0.000 0.775 1181 L CB -0.240 41.702 42.059 -0.196 0.000 0.913 1181 L HN 0.318 nan 8.230 nan 0.000 0.440 1182 K N -0.079 120.229 120.400 -0.154 0.000 3.038 1182 K HA 0.073 4.394 4.320 0.002 0.000 0.232 1182 K C -0.083 176.448 176.600 -0.116 0.000 1.124 1182 K CA 0.175 56.399 56.287 -0.104 0.000 1.232 1182 K CB -0.201 32.250 32.500 -0.081 0.000 1.767 1182 K HN -0.212 nan 8.250 nan 0.000 0.463 1183 D N 2.014 122.337 120.400 -0.128 0.000 2.385 1183 D HA 0.168 4.809 4.640 0.002 0.000 0.260 1183 D C -0.362 175.821 176.300 -0.194 0.000 1.326 1183 D CA 0.456 54.379 54.000 -0.127 0.000 1.023 1183 D CB -0.191 40.542 40.800 -0.112 0.000 1.083 1183 D HN 0.474 nan 8.370 nan 0.000 0.517 1184 G N 1.100 109.793 108.800 -0.180 0.000 2.224 1184 G HA2 0.268 4.229 3.960 0.002 0.000 0.239 1184 G HA3 0.268 4.229 3.960 0.002 0.000 0.239 1184 G C 1.046 175.757 174.900 -0.314 0.000 1.240 1184 G CA 0.192 45.130 45.100 -0.270 0.000 0.896 1184 G HN 0.358 nan 8.290 nan 0.000 0.496 1185 V N 0.322 119.855 119.914 -0.635 0.000 5.258 1185 V HA 0.565 4.686 4.120 0.002 0.000 0.122 1185 V C 0.410 176.358 176.094 -0.244 0.000 1.199 1185 V CA -0.030 62.060 62.300 -0.350 0.000 1.018 1185 V CB -0.936 30.742 31.823 -0.242 0.000 1.289 1185 V HN 1.183 nan 8.190 nan 0.000 0.656 1186 F N 1.933 121.895 119.950 0.020 0.000 2.145 1186 F HA 0.172 4.701 4.527 0.002 0.000 0.508 1186 F C 0.007 175.851 175.800 0.073 0.000 1.275 1186 F CA 0.530 58.565 58.000 0.057 0.000 1.633 1186 F CB -1.777 37.266 39.000 0.072 0.000 2.610 1186 F HN 0.754 nan 8.300 nan 0.000 0.724 1187 T N -0.943 113.754 114.554 0.239 0.000 2.681 1187 T HA 0.470 4.821 4.350 0.002 0.000 0.296 1187 T C 0.621 175.455 174.700 0.224 0.000 1.157 1187 T CA -0.354 61.858 62.100 0.188 0.000 1.025 1187 T CB 1.548 70.481 68.868 0.108 0.000 1.441 1187 T HN 0.418 nan 8.240 nan 0.000 0.504 1188 T N 1.508 116.179 114.554 0.196 0.000 2.684 1188 T HA -0.120 4.231 4.350 0.002 0.000 0.267 1188 T C 2.145 176.961 174.700 0.194 0.000 1.036 1188 T CA 2.133 64.375 62.100 0.237 0.000 1.148 1188 T CB -0.680 68.300 68.868 0.186 0.000 0.863 1188 T HN 0.607 nan 8.240 nan 0.000 0.436 1189 S N 0.962 116.739 115.700 0.128 0.000 2.419 1189 S HA -0.095 4.376 4.470 0.002 0.000 0.233 1189 S C 2.325 177.041 174.600 0.193 0.000 1.016 1189 S CA 1.042 59.305 58.200 0.104 0.000 0.974 1189 S CB -0.386 62.860 63.200 0.078 0.000 0.786 1189 S HN 0.538 nan 8.310 nan 0.000 0.492 1190 S N 1.637 117.469 115.700 0.220 0.000 2.357 1190 S HA -0.134 4.337 4.470 0.002 0.000 0.221 1190 S C 1.481 176.327 174.600 0.410 0.000 1.031 1190 S CA 1.162 59.530 58.200 0.280 0.000 0.982 1190 S CB -0.403 62.954 63.200 0.262 0.000 0.853 1190 S HN 0.383 nan 8.310 nan 0.000 0.458 1191 D N 0.900 121.552 120.400 0.420 0.000 2.219 1191 D HA -0.064 4.577 4.640 0.002 0.000 0.205 1191 D C 1.799 178.450 176.300 0.585 0.000 0.970 1191 D CA 0.881 55.189 54.000 0.513 0.000 0.851 1191 D CB -0.355 40.769 40.800 0.540 0.000 0.943 1191 D HN 0.408 nan 8.370 nan 0.000 0.488 1192 M N 0.022 119.834 119.600 0.352 0.000 2.213 1192 M HA -0.128 4.354 4.480 0.002 0.000 0.263 1192 M C 1.767 178.266 176.300 0.333 0.000 1.062 1192 M CA 1.191 56.542 55.300 0.085 0.000 1.105 1192 M CB -0.544 31.948 32.600 -0.181 0.000 1.385 1192 M HN 0.206 nan 8.290 nan 0.000 0.417 1193 W N 0.270 121.727 121.300 0.261 0.000 2.381 1193 W HA -0.105 4.556 4.660 0.002 0.000 0.301 1193 W C 1.875 178.669 176.519 0.457 0.000 1.205 1193 W CA 1.785 59.352 57.345 0.370 0.000 1.285 1193 W CB -0.930 28.727 29.460 0.329 0.000 1.133 1193 W HN 0.270 nan 8.180 nan 0.000 0.521 1194 S N 0.917 117.079 115.700 0.771 0.000 2.400 1194 S HA -0.235 4.236 4.470 0.002 0.000 0.232 1194 S C 1.531 176.455 174.600 0.540 0.000 1.025 1194 S CA 1.595 60.214 58.200 0.697 0.000 0.993 1194 S CB -0.989 62.550 63.200 0.565 0.000 0.808 1194 S HN 0.326 nan 8.310 nan 0.000 0.478 1195 F N 2.574 122.743 119.950 0.365 0.000 2.186 1195 F HA 0.045 4.573 4.527 0.002 0.000 0.299 1195 F C 2.206 178.088 175.800 0.137 0.000 1.090 1195 F CA 1.118 59.285 58.000 0.278 0.000 1.307 1195 F CB -0.896 38.320 39.000 0.361 0.000 1.019 1195 F HN 0.207 nan 8.300 nan 0.000 0.489 1196 G N -0.296 108.406 108.800 -0.164 0.000 2.422 1196 G HA2 -0.150 3.811 3.960 0.002 0.000 0.218 1196 G HA3 -0.150 3.811 3.960 0.002 0.000 0.218 1196 G C 1.591 176.406 174.900 -0.142 0.000 1.140 1196 G CA 1.026 45.835 45.100 -0.485 0.000 0.775 1196 G HN 0.332 nan 8.290 nan 0.000 0.545 1197 V N 0.638 120.674 119.914 0.203 0.000 2.809 1197 V HA -0.094 4.027 4.120 0.002 0.000 0.256 1197 V C 2.824 179.127 176.094 0.348 0.000 1.080 1197 V CA 0.982 63.504 62.300 0.369 0.000 1.102 1197 V CB -0.040 32.005 31.823 0.371 0.000 0.705 1197 V HN 0.232 nan 8.190 nan 0.000 0.475 1198 V N -0.198 119.823 119.914 0.178 0.000 2.548 1198 V HA -0.128 3.993 4.120 0.002 0.000 0.249 1198 V C 2.216 178.286 176.094 -0.039 0.000 1.055 1198 V CA 1.428 63.794 62.300 0.111 0.000 1.065 1198 V CB -0.368 31.461 31.823 0.010 0.000 0.681 1198 V HN 0.440 nan 8.190 nan 0.000 0.462 1199 L N -1.589 119.507 121.223 -0.211 0.000 2.072 1199 L HA -0.141 4.200 4.340 0.002 0.000 0.205 1199 L C 2.283 179.094 176.870 -0.098 0.000 1.079 1199 L CA 1.827 56.529 54.840 -0.229 0.000 0.752 1199 L CB -0.503 41.336 42.059 -0.367 0.000 0.906 1199 L HN 0.489 nan 8.230 nan 0.000 0.436 1200 W N 1.421 122.656 121.300 -0.108 0.000 2.358 1200 W HA -0.216 4.445 4.660 0.002 0.000 0.303 1200 W C 2.437 178.941 176.519 -0.024 0.000 1.208 1200 W CA 1.785 59.111 57.345 -0.031 0.000 1.274 1200 W CB 0.051 29.542 29.460 0.052 0.000 1.138 1200 W HN 0.091 nan 8.180 nan 0.000 0.515 1201 E N 0.093 120.399 120.200 0.177 0.000 2.051 1201 E HA -0.249 4.102 4.350 0.002 0.000 0.192 1201 E C 2.167 178.683 176.600 -0.141 0.000 0.991 1201 E CA 2.280 58.729 56.400 0.082 0.000 0.799 1201 E CB -0.496 29.373 29.700 0.281 0.000 0.748 1201 E HN 0.292 nan 8.360 nan 0.000 0.449 1202 I N 0.501 121.009 120.570 -0.104 0.000 2.151 1202 I HA -0.325 3.846 4.170 0.002 0.000 0.243 1202 I C 2.350 178.344 176.117 -0.204 0.000 1.080 1202 I CA 1.426 62.650 61.300 -0.127 0.000 1.339 1202 I CB -0.462 37.475 38.000 -0.105 0.000 1.039 1202 I HN 0.185 nan 8.210 nan 0.000 0.409 1203 T N -0.034 114.354 114.554 -0.277 0.000 2.737 1203 T HA -0.134 4.217 4.350 0.002 0.000 0.265 1203 T C 1.903 176.360 174.700 -0.404 0.000 1.038 1203 T CA 1.701 63.615 62.100 -0.310 0.000 1.144 1203 T CB -0.318 68.361 68.868 -0.315 0.000 0.866 1203 T HN 0.508 nan 8.240 nan 0.000 0.434 1204 S N 1.298 116.595 115.700 -0.672 0.000 2.603 1204 S HA 0.129 4.600 4.470 0.002 0.000 0.229 1204 S C 1.056 175.411 174.600 -0.408 0.000 0.972 1204 S CA -0.021 57.752 58.200 -0.712 0.000 0.935 1204 S CB -0.861 61.445 63.200 -1.490 0.000 0.769 1204 S HN 0.492 nan 8.310 nan 0.000 0.536 1205 L N -0.287 120.751 121.223 -0.309 0.000 3.608 1205 L HA -0.276 4.065 4.340 0.002 0.000 0.422 1205 L C 0.678 177.466 176.870 -0.136 0.000 1.260 1205 L CA 0.091 54.815 54.840 -0.193 0.000 0.889 1205 L CB -2.112 39.847 42.059 -0.166 0.000 1.821 1205 L HN 0.862 nan 8.230 nan 0.000 0.884 1206 A N -0.834 121.913 122.820 -0.122 0.000 2.876 1206 A HA -0.177 4.144 4.320 0.002 0.000 0.287 1206 A C 0.437 178.049 177.584 0.046 0.000 1.455 1206 A CA 1.382 53.422 52.037 0.005 0.000 0.744 1206 A CB -1.009 18.007 19.000 0.027 0.000 1.041 1206 A HN 0.631 nan 8.150 nan 0.000 0.500 1207 E N -0.003 120.203 120.200 0.011 0.000 2.345 1207 E HA 0.492 4.843 4.350 0.002 0.000 0.259 1207 E C 0.440 177.251 176.600 0.352 0.000 1.117 1207 E CA -0.068 56.413 56.400 0.136 0.000 0.913 1207 E CB 0.473 30.242 29.700 0.115 0.000 1.057 1207 E HN 0.573 nan 8.360 nan 0.000 0.432 1208 Q N 3.844 123.807 119.800 0.272 0.000 2.307 1208 Q HA 0.221 4.562 4.340 0.002 0.000 0.259 1208 Q C -2.029 174.014 176.000 0.072 0.000 0.998 1208 Q CA -2.005 53.925 55.803 0.212 0.000 0.923 1208 Q CB 0.718 29.535 28.738 0.132 0.000 1.196 1208 Q HN 0.260 nan 8.270 nan 0.000 0.416 1209 P HA -0.168 nan 4.420 nan 0.000 0.260 1209 P C -1.113 175.899 177.300 -0.480 0.000 1.172 1209 P CA 0.759 63.380 63.100 -0.799 0.000 0.760 1209 P CB -0.004 31.173 31.700 -0.871 0.000 0.773 1210 Y N -1.240 118.743 120.300 -0.529 0.000 3.305 1210 Y HA -0.238 4.313 4.550 0.002 0.000 0.209 1210 Y C 1.234 177.018 175.900 -0.194 0.000 1.354 1210 Y CA 0.731 58.642 58.100 -0.315 0.000 1.392 1210 Y CB -2.714 35.591 38.460 -0.259 0.000 1.446 1210 Y HN 0.475 nan 8.280 nan 0.000 0.553 1211 Q N 0.683 120.455 119.800 -0.047 0.000 2.651 1211 Q HA 0.325 4.666 4.340 0.002 0.000 0.224 1211 Q C 1.716 177.710 176.000 -0.009 0.000 1.094 1211 Q CA 1.185 56.990 55.803 0.003 0.000 1.018 1211 Q CB 0.516 29.275 28.738 0.034 0.000 1.292 1211 Q HN 0.844 nan 8.270 nan 0.000 0.588 1212 G N 0.296 109.094 108.800 -0.005 0.000 2.451 1212 G HA2 -0.291 3.670 3.960 0.002 0.000 0.253 1212 G HA3 -0.291 3.670 3.960 0.002 0.000 0.253 1212 G C 0.090 174.969 174.900 -0.035 0.000 1.033 1212 G CA 0.727 45.815 45.100 -0.021 0.000 0.633 1212 G HN 0.461 nan 8.290 nan 0.000 0.537 1213 L N 1.382 122.583 121.223 -0.036 0.000 2.360 1213 L HA 0.602 4.943 4.340 0.002 0.000 0.271 1213 L C 1.232 178.081 176.870 -0.035 0.000 1.057 1213 L CA -0.156 54.652 54.840 -0.053 0.000 0.803 1213 L CB 1.714 43.724 42.059 -0.081 0.000 1.207 1213 L HN 0.436 nan 8.230 nan 0.000 0.445 1214 S N 0.094 115.770 115.700 -0.041 0.000 2.652 1214 S HA 0.197 4.668 4.470 0.002 0.000 0.270 1214 S C 0.706 175.285 174.600 -0.036 0.000 1.243 1214 S CA -0.818 57.366 58.200 -0.027 0.000 0.999 1214 S CB 1.055 64.240 63.200 -0.025 0.000 0.973 1214 S HN 0.586 nan 8.310 nan 0.000 0.544 1215 N N 1.386 120.074 118.700 -0.020 0.000 2.364 1215 N HA -0.099 4.642 4.740 0.002 0.000 0.183 1215 N C 1.177 176.665 175.510 -0.036 0.000 1.022 1215 N CA 1.285 54.320 53.050 -0.025 0.000 0.883 1215 N CB -0.315 38.176 38.487 0.006 0.000 0.965 1215 N HN 0.725 nan 8.380 nan 0.000 0.438 1216 E N 0.991 121.174 120.200 -0.029 0.000 2.112 1216 E HA -0.047 4.304 4.350 0.002 0.000 0.190 1216 E C 1.993 178.570 176.600 -0.038 0.000 0.979 1216 E CA 0.639 57.022 56.400 -0.029 0.000 0.814 1216 E CB -0.116 29.572 29.700 -0.020 0.000 0.762 1216 E HN 0.381 nan 8.360 nan 0.000 0.460 1217 Q N 0.319 120.092 119.800 -0.046 0.000 1.993 1217 Q HA -0.119 4.222 4.340 0.002 0.000 0.202 1217 Q C 2.318 178.286 176.000 -0.052 0.000 0.984 1217 Q CA 1.608 57.379 55.803 -0.054 0.000 0.837 1217 Q CB -0.186 28.508 28.738 -0.073 0.000 0.902 1217 Q HN 0.134 nan 8.270 nan 0.000 0.423 1218 V N 1.289 121.146 119.914 -0.095 0.000 2.392 1218 V HA -0.282 3.839 4.120 0.002 0.000 0.249 1218 V C 2.220 178.230 176.094 -0.140 0.000 1.059 1218 V CA 1.491 63.693 62.300 -0.162 0.000 1.051 1218 V CB -0.597 31.021 31.823 -0.342 0.000 0.658 1218 V HN 0.357 nan 8.190 nan 0.000 0.455 1219 L N -0.241 120.916 121.223 -0.110 0.000 1.971 1219 L HA -0.235 4.106 4.340 0.002 0.000 0.215 1219 L C 2.829 179.660 176.870 -0.065 0.000 1.072 1219 L CA 1.851 56.635 54.840 -0.093 0.000 0.758 1219 L CB -0.397 41.626 42.059 -0.059 0.000 0.889 1219 L HN 0.267 nan 8.230 nan 0.000 0.433 1220 K N -0.763 119.623 120.400 -0.025 0.000 2.032 1220 K HA -0.228 4.093 4.320 0.002 0.000 0.209 1220 K C 2.011 178.638 176.600 0.045 0.000 1.048 1220 K CA 1.555 57.844 56.287 0.004 0.000 0.927 1220 K CB -0.817 31.690 32.500 0.012 0.000 0.712 1220 K HN 0.207 nan 8.250 nan 0.000 0.441 1221 F N 2.367 122.243 119.950 -0.123 0.000 2.010 1221 F HA -0.222 4.306 4.527 0.002 0.000 0.296 1221 F C 2.200 177.942 175.800 -0.097 0.000 1.146 1221 F CA 1.256 59.183 58.000 -0.123 0.000 1.181 1221 F CB -0.784 38.117 39.000 -0.165 0.000 0.965 1221 F HN -0.276 nan 8.300 nan 0.000 0.480 1222 V N 0.740 120.413 119.914 -0.402 0.000 2.688 1222 V HA -0.324 3.797 4.120 0.002 0.000 0.256 1222 V C 2.398 178.372 176.094 -0.200 0.000 1.084 1222 V CA 2.036 64.078 62.300 -0.430 0.000 1.103 1222 V CB -0.858 30.752 31.823 -0.356 0.000 0.688 1222 V HN 0.554 nan 8.190 nan 0.000 0.480 1223 M N -0.132 119.391 119.600 -0.129 0.000 2.248 1223 M HA -0.078 4.403 4.480 0.002 0.000 0.265 1223 M C 1.962 178.299 176.300 0.062 0.000 1.079 1223 M CA 1.656 56.949 55.300 -0.011 0.000 1.150 1223 M CB -0.210 32.363 32.600 -0.045 0.000 1.366 1223 M HN 0.264 nan 8.290 nan 0.000 0.433 1224 D N -0.362 120.013 120.400 -0.043 0.000 2.123 1224 D HA -0.097 4.545 4.640 0.002 0.000 0.196 1224 D C 1.354 177.530 176.300 -0.206 0.000 0.992 1224 D CA 2.106 56.057 54.000 -0.082 0.000 0.833 1224 D CB 0.070 40.856 40.800 -0.023 0.000 0.954 1224 D HN 0.596 nan 8.370 nan 0.000 0.455 1225 G N -1.852 106.813 108.800 -0.225 0.000 3.290 1225 G HA2 0.082 4.043 3.960 0.002 0.000 0.220 1225 G HA3 0.082 4.043 3.960 0.002 0.000 0.220 1225 G C 0.539 175.328 174.900 -0.185 0.000 0.940 1225 G CA 0.155 45.085 45.100 -0.285 0.000 0.884 1225 G HN 0.584 nan 8.290 nan 0.000 0.649 1226 G N -0.239 108.217 108.800 -0.573 0.000 2.547 1226 G HA2 0.755 4.716 3.960 0.002 0.000 0.291 1226 G HA3 0.755 4.716 3.960 0.002 0.000 0.291 1226 G C -0.374 174.153 174.900 -0.623 0.000 1.211 1226 G CA -0.206 44.282 45.100 -1.020 0.000 0.950 1226 G HN 1.112 nan 8.290 nan 0.000 0.504 1227 Y N -2.161 117.912 120.300 -0.378 0.000 2.655 1227 Y HA 0.671 5.222 4.550 0.002 0.000 0.336 1227 Y C -0.378 175.386 175.900 -0.226 0.000 1.154 1227 Y CA -1.587 56.310 58.100 -0.338 0.000 1.055 1227 Y CB 0.837 39.048 38.460 -0.414 0.000 1.295 1227 Y HN 0.534 nan 8.280 nan 0.000 0.465 1228 L N 1.524 122.412 121.223 -0.558 0.000 2.474 1228 L HA 0.102 4.443 4.340 0.002 0.000 0.259 1228 L C 0.498 177.250 176.870 -0.195 0.000 1.232 1228 L CA 0.329 54.775 54.840 -0.656 0.000 0.821 1228 L CB 0.458 41.776 42.059 -1.235 0.000 1.108 1228 L HN 0.876 nan 8.230 nan 0.000 0.495 1229 D N -0.395 119.920 120.400 -0.142 0.000 2.142 1229 D HA 0.122 4.763 4.640 0.002 0.000 0.293 1229 D C -0.758 175.742 176.300 0.333 0.000 1.133 1229 D CA 0.246 54.322 54.000 0.127 0.000 1.023 1229 D CB 0.443 41.300 40.800 0.097 0.000 1.111 1229 D HN 0.323 nan 8.370 nan 0.000 0.424 1230 Q N -0.844 119.161 119.800 0.341 0.000 2.443 1230 Q HA 0.349 4.690 4.340 0.002 0.000 0.241 1230 Q C -2.729 173.379 176.000 0.179 0.000 0.880 1230 Q CA -1.082 54.897 55.803 0.293 0.000 0.974 1230 Q CB 1.896 30.754 28.738 0.200 0.000 1.482 1230 Q HN -0.004 nan 8.270 nan 0.000 0.448 1231 P HA 0.101 nan 4.420 nan 0.000 0.266 1231 P C -0.845 176.437 177.300 -0.030 0.000 1.195 1231 P CA -0.029 63.040 63.100 -0.051 0.000 0.768 1231 P CB 0.602 32.154 31.700 -0.246 0.000 0.838 1232 D N 1.249 121.633 120.400 -0.026 0.000 2.382 1232 D HA 0.053 4.694 4.640 0.002 0.000 0.240 1232 D C 0.643 176.917 176.300 -0.043 0.000 1.146 1232 D CA 0.230 54.217 54.000 -0.021 0.000 0.897 1232 D CB -0.238 40.553 40.800 -0.016 0.000 1.197 1232 D HN 0.392 nan 8.370 nan 0.000 0.432 1233 N N -0.950 117.730 118.700 -0.034 0.000 2.732 1233 N HA -0.247 4.494 4.740 0.002 0.000 0.250 1233 N C -0.431 175.046 175.510 -0.054 0.000 1.097 1233 N CA -0.092 52.933 53.050 -0.042 0.000 0.812 1233 N CB -1.184 37.274 38.487 -0.048 0.000 1.148 1233 N HN 0.387 nan 8.380 nan 0.000 0.572 1234 C N 1.865 121.132 119.300 -0.054 0.000 2.632 1234 C HA 0.313 4.774 4.460 0.002 0.000 0.415 1234 C C -1.354 173.605 174.990 -0.053 0.000 1.332 1234 C CA -1.352 57.625 59.018 -0.068 0.000 1.874 1234 C CB -0.178 27.521 27.740 -0.068 0.000 2.596 1234 C HN 0.186 nan 8.230 nan 0.000 0.590 1235 P HA 0.066 nan 4.420 nan 0.000 0.270 1235 P C 0.606 177.879 177.300 -0.045 0.000 1.221 1235 P CA 0.239 63.308 63.100 -0.051 0.000 0.788 1235 P CB 0.378 32.043 31.700 -0.058 0.000 0.904 1236 E N 1.166 121.343 120.200 -0.038 0.000 2.250 1236 E HA -0.093 4.258 4.350 0.002 0.000 0.192 1236 E C 1.513 178.088 176.600 -0.041 0.000 0.986 1236 E CA 0.403 56.782 56.400 -0.034 0.000 0.849 1236 E CB 0.110 29.795 29.700 -0.025 0.000 0.797 1236 E HN 0.268 nan 8.360 nan 0.000 0.482 1237 R N 0.341 120.815 120.500 -0.044 0.000 2.081 1237 R HA -0.087 4.254 4.340 0.002 0.000 0.235 1237 R C 2.477 178.741 176.300 -0.060 0.000 1.131 1237 R CA 1.421 57.492 56.100 -0.047 0.000 0.960 1237 R CB -0.243 30.031 30.300 -0.044 0.000 0.856 1237 R HN 0.076 nan 8.270 nan 0.000 0.436 1238 V N 0.594 120.467 119.914 -0.069 0.000 2.261 1238 V HA -0.244 3.877 4.120 0.002 0.000 0.246 1238 V C 2.195 178.222 176.094 -0.112 0.000 1.047 1238 V CA 2.219 64.465 62.300 -0.091 0.000 1.015 1238 V CB -0.633 31.130 31.823 -0.099 0.000 0.642 1238 V HN 0.402 nan 8.190 nan 0.000 0.446 1239 T N -0.039 114.463 114.554 -0.087 0.000 2.685 1239 T HA -0.264 4.087 4.350 0.002 0.000 0.268 1239 T C 1.542 176.178 174.700 -0.107 0.000 1.034 1239 T CA 2.004 64.057 62.100 -0.078 0.000 1.149 1239 T CB -0.479 68.371 68.868 -0.031 0.000 0.860 1239 T HN 0.517 nan 8.240 nan 0.000 0.449 1240 D N 0.796 121.144 120.400 -0.088 0.000 2.144 1240 D HA -0.010 4.631 4.640 0.002 0.000 0.199 1240 D C 2.068 178.293 176.300 -0.126 0.000 0.984 1240 D CA 0.660 54.607 54.000 -0.088 0.000 0.834 1240 D CB -0.430 40.333 40.800 -0.061 0.000 0.955 1240 D HN 0.325 nan 8.370 nan 0.000 0.465 1241 L N -0.163 120.978 121.223 -0.137 0.000 1.994 1241 L HA -0.143 4.198 4.340 0.002 0.000 0.208 1241 L C 2.537 179.226 176.870 -0.302 0.000 1.071 1241 L CA 0.906 55.653 54.840 -0.155 0.000 0.745 1241 L CB -0.396 41.605 42.059 -0.098 0.000 0.892 1241 L HN 0.052 nan 8.230 nan 0.000 0.431 1242 M N -0.551 118.791 119.600 -0.430 0.000 2.088 1242 M HA -0.283 4.198 4.480 0.002 0.000 0.256 1242 M C 2.501 178.240 176.300 -0.935 0.000 1.071 1242 M CA 1.918 56.688 55.300 -0.883 0.000 1.097 1242 M CB -0.659 31.465 32.600 -0.794 0.000 1.315 1242 M HN 0.192 nan 8.290 nan 0.000 0.406 1243 R N 0.117 120.349 120.500 -0.446 0.000 2.096 1243 R HA -0.142 4.199 4.340 0.002 0.000 0.240 1243 R C 2.071 178.241 176.300 -0.216 0.000 1.139 1243 R CA 1.720 57.673 56.100 -0.245 0.000 0.952 1243 R CB -0.570 29.645 30.300 -0.143 0.000 0.854 1243 R HN 0.415 nan 8.270 nan 0.000 0.436 1244 M N -0.048 119.427 119.600 -0.207 0.000 2.446 1244 M HA -0.150 4.331 4.480 0.002 0.000 0.263 1244 M C 1.838 178.047 176.300 -0.152 0.000 1.066 1244 M CA 1.004 56.222 55.300 -0.137 0.000 1.087 1244 M CB -0.043 32.490 32.600 -0.111 0.000 1.406 1244 M HN 0.268 nan 8.290 nan 0.000 0.459 1245 C N -1.524 117.584 119.300 -0.320 0.000 2.673 1245 C HA 0.028 4.489 4.460 0.002 0.000 0.264 1245 C C 1.184 176.055 174.990 -0.198 0.000 1.304 1245 C CA -0.430 58.401 59.018 -0.312 0.000 1.727 1245 C CB -0.791 26.628 27.740 -0.535 0.000 1.932 1245 C HN 0.649 nan 8.230 nan 0.000 0.563 1246 W N 1.159 122.304 121.300 -0.258 0.000 3.067 1246 W HA 0.364 5.025 4.660 0.002 0.000 0.417 1246 W C 0.260 176.806 176.519 0.044 0.000 1.029 1246 W CA -0.881 56.261 57.345 -0.338 0.000 1.992 1246 W CB -1.119 27.991 29.460 -0.584 0.000 1.122 1246 W HN 0.338 nan 8.180 nan 0.000 0.681 1247 Q N 0.016 119.977 119.800 0.269 0.000 2.361 1247 Q HA -0.021 4.320 4.340 0.002 0.000 0.276 1247 Q C 0.989 177.207 176.000 0.364 0.000 1.022 1247 Q CA 0.117 56.070 55.803 0.250 0.000 0.898 1247 Q CB 0.384 29.215 28.738 0.155 0.000 1.246 1247 Q HN 0.067 nan 8.270 nan 0.000 0.410 1248 F N 1.248 121.318 119.950 0.200 0.000 2.546 1248 F HA -0.057 4.471 4.527 0.002 0.000 0.298 1248 F C 0.388 176.251 175.800 0.105 0.000 1.120 1248 F CA 0.676 58.773 58.000 0.162 0.000 1.456 1248 F CB 0.363 39.416 39.000 0.088 0.000 1.088 1248 F HN 0.472 nan 8.300 nan 0.000 0.572 1249 N N 1.181 119.975 118.700 0.157 0.000 2.476 1249 N HA 0.137 4.878 4.740 0.002 0.000 0.257 1249 N C -1.968 173.575 175.510 0.055 0.000 0.970 1249 N CA -1.850 51.241 53.050 0.069 0.000 0.938 1249 N CB 1.619 40.169 38.487 0.104 0.000 1.144 1249 N HN -0.094 nan 8.380 nan 0.000 0.500 1250 P HA -0.188 nan 4.420 nan 0.000 0.217 1250 P C 0.656 177.980 177.300 0.039 0.000 1.151 1250 P CA 1.253 64.372 63.100 0.032 0.000 0.849 1250 P CB 0.381 32.077 31.700 -0.008 0.000 0.787 1251 K N -1.083 119.335 120.400 0.031 0.000 2.574 1251 K HA 0.052 4.373 4.320 0.002 0.000 0.193 1251 K C 1.625 178.244 176.600 0.033 0.000 1.035 1251 K CA 0.656 56.960 56.287 0.030 0.000 0.982 1251 K CB -0.244 32.272 32.500 0.026 0.000 0.795 1251 K HN 0.321 nan 8.250 nan 0.000 0.491 1252 M N 0.269 119.895 119.600 0.043 0.000 2.313 1252 M HA 0.079 4.560 4.480 0.002 0.000 0.273 1252 M C -0.010 176.309 176.300 0.032 0.000 1.049 1252 M CA 0.107 55.432 55.300 0.041 0.000 1.004 1252 M CB 0.429 33.064 32.600 0.058 0.000 1.461 1252 M HN -0.154 nan 8.290 nan 0.000 0.514 1253 R N 2.352 122.872 120.500 0.034 0.000 2.390 1253 R HA 0.390 4.731 4.340 0.002 0.000 0.291 1253 R C -2.289 173.989 176.300 -0.038 0.000 1.070 1253 R CA -1.410 54.694 56.100 0.007 0.000 1.014 1253 R CB -0.229 30.090 30.300 0.032 0.000 1.007 1253 R HN 0.097 nan 8.270 nan 0.000 0.466 1254 P HA 0.045 nan 4.420 nan 0.000 0.275 1254 P C -0.222 176.992 177.300 -0.143 0.000 1.266 1254 P CA -0.272 62.779 63.100 -0.081 0.000 0.793 1254 P CB 0.418 32.069 31.700 -0.081 0.000 1.074 1255 T N -2.825 111.676 114.554 -0.088 0.000 2.907 1255 T HA 0.294 4.645 4.350 0.002 0.000 0.284 1255 T C 1.101 175.749 174.700 -0.087 0.000 1.004 1255 T CA -0.416 61.638 62.100 -0.077 0.000 1.063 1255 T CB 0.081 68.980 68.868 0.052 0.000 0.992 1255 T HN 0.095 nan 8.240 nan 0.000 0.483 1256 F N 0.804 120.749 119.950 -0.008 0.000 2.115 1256 F HA -0.064 4.464 4.527 0.002 0.000 0.300 1256 F C 2.276 178.097 175.800 0.036 0.000 1.092 1256 F CA 1.309 59.264 58.000 -0.076 0.000 1.245 1256 F CB -0.808 38.144 39.000 -0.080 0.000 0.995 1256 F HN 0.489 nan 8.300 nan 0.000 0.481 1257 L N -0.232 121.190 121.223 0.331 0.000 2.012 1257 L HA -0.253 4.088 4.340 0.002 0.000 0.210 1257 L C 2.524 179.601 176.870 0.345 0.000 1.073 1257 L CA 1.916 57.007 54.840 0.419 0.000 0.748 1257 L CB -0.752 41.521 42.059 0.357 0.000 0.891 1257 L HN 0.205 nan 8.230 nan 0.000 0.431 1258 E N 0.324 120.642 120.200 0.197 0.000 2.209 1258 E HA -0.245 4.106 4.350 0.002 0.000 0.196 1258 E C 2.178 178.815 176.600 0.060 0.000 0.993 1258 E CA 1.000 57.476 56.400 0.127 0.000 0.819 1258 E CB 0.170 29.906 29.700 0.060 0.000 0.745 1258 E HN 0.395 nan 8.360 nan 0.000 0.477 1259 I N 0.590 121.172 120.570 0.020 0.000 2.406 1259 I HA -0.169 4.002 4.170 0.002 0.000 0.249 1259 I C 2.358 178.436 176.117 -0.066 0.000 1.122 1259 I CA 0.588 61.867 61.300 -0.035 0.000 1.431 1259 I CB -0.670 37.272 38.000 -0.096 0.000 1.087 1259 I HN 0.100 nan 8.210 nan 0.000 0.424 1260 V N 0.961 120.819 119.914 -0.092 0.000 2.343 1260 V HA -0.287 3.834 4.120 0.002 0.000 0.247 1260 V C 2.215 178.024 176.094 -0.474 0.000 1.051 1260 V CA 2.081 64.198 62.300 -0.304 0.000 1.036 1260 V CB -1.134 30.428 31.823 -0.434 0.000 0.654 1260 V HN 0.478 nan 8.190 nan 0.000 0.451 1261 N N 0.117 118.605 118.700 -0.353 0.000 2.043 1261 N HA -0.223 4.518 4.740 0.002 0.000 0.193 1261 N C 1.815 177.284 175.510 -0.068 0.000 1.037 1261 N CA 1.356 54.335 53.050 -0.119 0.000 0.851 1261 N CB -0.153 38.483 38.487 0.248 0.000 1.027 1261 N HN 0.368 nan 8.380 nan 0.000 0.422 1262 L N 0.790 121.987 121.223 -0.043 0.000 2.447 1262 L HA -0.028 4.314 4.340 0.002 0.000 0.225 1262 L C 0.935 177.767 176.870 -0.063 0.000 1.148 1262 L CA 1.388 56.208 54.840 -0.035 0.000 0.808 1262 L CB -0.064 41.980 42.059 -0.026 0.000 0.928 1262 L HN 0.329 nan 8.230 nan 0.000 0.448 1263 L N -1.452 119.701 121.223 -0.117 0.000 2.966 1263 L HA 0.089 4.430 4.340 0.002 0.000 0.262 1263 L C 2.049 178.817 176.870 -0.171 0.000 1.165 1263 L CA 0.208 54.966 54.840 -0.136 0.000 0.978 1263 L CB -0.229 41.737 42.059 -0.156 0.000 1.337 1263 L HN 0.259 nan 8.230 nan 0.000 0.563 1264 K N -0.397 119.904 120.400 -0.165 0.000 2.152 1264 K HA -0.202 4.119 4.320 0.002 0.000 0.206 1264 K C 0.991 177.590 176.600 -0.002 0.000 1.048 1264 K CA 1.616 57.850 56.287 -0.088 0.000 0.933 1264 K CB -0.125 32.390 32.500 0.025 0.000 0.721 1264 K HN 0.045 nan 8.250 nan 0.000 0.447 1265 D N 1.137 121.536 120.400 -0.001 0.000 2.363 1265 D HA -0.033 4.608 4.640 0.002 0.000 0.226 1265 D C 0.157 176.455 176.300 -0.004 0.000 1.020 1265 D CA 0.584 54.593 54.000 0.016 0.000 0.892 1265 D CB 0.164 40.973 40.800 0.016 0.000 0.900 1265 D HN 0.266 nan 8.370 nan 0.000 0.531 1266 D N -0.588 119.792 120.400 -0.035 0.000 2.556 1266 D HA 0.107 4.748 4.640 0.002 0.000 0.237 1266 D C 0.988 177.256 176.300 -0.054 0.000 1.296 1266 D CA -0.122 53.854 54.000 -0.040 0.000 0.807 1266 D CB 1.383 42.153 40.800 -0.049 0.000 1.084 1266 D HN 0.191 nan 8.370 nan 0.000 0.510 1267 L N -0.064 121.120 121.223 -0.066 0.000 2.855 1267 L HA 0.242 4.583 4.340 0.002 0.000 0.204 1267 L C 0.829 177.739 176.870 0.066 0.000 1.206 1267 L CA -0.580 54.214 54.840 -0.076 0.000 0.942 1267 L CB 0.141 42.043 42.059 -0.262 0.000 1.832 1267 L HN 0.044 nan 8.230 nan 0.000 0.522 1268 H N 0.735 119.814 119.070 0.014 0.000 2.527 1268 H HA 0.190 4.747 4.556 0.002 0.000 0.321 1268 H C -2.119 173.294 175.328 0.142 0.000 1.087 1268 H CA -2.355 53.742 56.048 0.081 0.000 1.337 1268 H CB 1.745 31.567 29.762 0.101 0.000 1.440 1268 H HN 0.139 nan 8.280 nan 0.000 0.490 1269 P HA -0.202 nan 4.420 nan 0.000 0.220 1269 P C 1.298 178.819 177.300 0.367 0.000 1.142 1269 P CA 2.033 65.340 63.100 0.345 0.000 0.801 1269 P CB 0.292 32.112 31.700 0.200 0.000 0.764 1270 S N -2.151 113.813 115.700 0.440 0.000 2.406 1270 S HA -0.134 4.337 4.470 0.002 0.000 0.224 1270 S C 1.802 176.456 174.600 0.091 0.000 1.030 1270 S CA 0.199 58.445 58.200 0.077 0.000 0.958 1270 S CB -1.685 61.348 63.200 -0.277 0.000 0.811 1270 S HN 0.027 nan 8.310 nan 0.000 0.489 1271 F N 4.301 124.255 119.950 0.006 0.000 2.082 1271 F HA -0.109 4.419 4.527 0.002 0.000 0.298 1271 F C -1.087 174.737 175.800 0.039 0.000 1.091 1271 F CA 1.726 59.749 58.000 0.039 0.000 1.230 1271 F CB -1.593 37.444 39.000 0.063 0.000 0.983 1271 F HN 0.213 nan 8.300 nan 0.000 0.485 1272 P HA -0.229 nan 4.420 nan 0.000 0.216 1272 P C 1.376 178.736 177.300 0.100 0.000 1.150 1272 P CA 2.506 65.807 63.100 0.335 0.000 0.843 1272 P CB -0.321 31.624 31.700 0.408 0.000 0.787 1273 E N -0.421 119.775 120.200 -0.007 0.000 2.112 1273 E HA -0.081 4.270 4.350 0.002 0.000 0.190 1273 E C 1.767 178.261 176.600 -0.176 0.000 0.979 1273 E CA 1.566 57.926 56.400 -0.066 0.000 0.814 1273 E CB -0.970 28.700 29.700 -0.050 0.000 0.762 1273 E HN 0.215 nan 8.360 nan 0.000 0.460 1274 V N -0.702 119.036 119.914 -0.294 0.000 3.406 1274 V HA 0.046 4.167 4.120 0.002 0.000 0.263 1274 V C 1.573 177.403 176.094 -0.441 0.000 1.172 1274 V CA 0.116 62.146 62.300 -0.450 0.000 1.140 1274 V CB 0.012 31.317 31.823 -0.865 0.000 0.784 1274 V HN 0.126 nan 8.190 nan 0.000 0.467 1275 S N -0.139 115.253 115.700 -0.514 0.000 2.737 1275 S HA 0.056 4.528 4.470 0.002 0.000 0.249 1275 S C 0.401 174.843 174.600 -0.264 0.000 1.415 1275 S CA 1.199 59.011 58.200 -0.647 0.000 0.967 1275 S CB 0.416 63.000 63.200 -1.026 0.000 0.937 1275 S HN 0.719 nan 8.310 nan 0.000 0.574 1276 F N -0.511 119.278 119.950 -0.269 0.000 2.767 1276 F HA 0.329 4.857 4.527 0.002 0.000 0.329 1276 F C 1.090 176.921 175.800 0.052 0.000 0.912 1276 F CA -0.231 57.728 58.000 -0.067 0.000 1.115 1276 F CB -0.548 38.456 39.000 0.007 0.000 0.936 1276 F HN 0.608 nan 8.300 nan 0.000 0.624 1277 F N 0.992 120.814 119.950 -0.214 0.000 2.365 1277 F HA -0.058 4.470 4.527 0.002 0.000 0.300 1277 F C 1.753 177.555 175.800 0.003 0.000 1.090 1277 F CA 2.153 60.069 58.000 -0.139 0.000 1.408 1277 F CB -0.215 38.803 39.000 0.030 0.000 1.060 1277 F HN 0.161 nan 8.300 nan 0.000 0.534 1278 H N -2.730 116.306 119.070 -0.057 0.000 2.885 1278 H HA 0.173 4.730 4.556 0.002 0.000 0.260 1278 H C 1.187 176.422 175.328 -0.154 0.000 0.985 1278 H CA -0.009 55.982 56.048 -0.095 0.000 1.210 1278 H CB 0.216 29.964 29.762 -0.024 0.000 1.466 1278 H HN 0.021 nan 8.280 nan 0.000 0.493 1279 S N 0.961 116.611 115.700 -0.084 0.000 2.563 1279 S HA -0.023 4.448 4.470 0.002 0.000 0.284 1279 S C 1.670 176.195 174.600 -0.124 0.000 1.331 1279 S CA 0.580 58.730 58.200 -0.083 0.000 1.047 1279 S CB 0.914 64.099 63.200 -0.024 0.000 0.859 1279 S HN 0.634 nan 8.310 nan 0.000 0.514 1280 E N 2.822 122.984 120.200 -0.063 0.000 2.110 1280 E HA -0.175 4.176 4.350 0.002 0.000 0.193 1280 E C 1.628 178.184 176.600 -0.074 0.000 0.988 1280 E CA 1.854 58.216 56.400 -0.064 0.000 0.804 1280 E CB -1.113 28.569 29.700 -0.029 0.000 0.745 1280 E HN 0.947 nan 8.360 nan 0.000 0.458 1281 E N 0.020 120.204 120.200 -0.026 0.000 2.339 1281 E HA -0.154 4.197 4.350 0.002 0.000 0.201 1281 E C 0.917 177.480 176.600 -0.062 0.000 1.015 1281 E CA 0.563 56.982 56.400 0.031 0.000 0.841 1281 E CB -0.344 29.485 29.700 0.215 0.000 0.754 1281 E HN 0.617 nan 8.360 nan 0.000 0.508 1282 N N 0.542 119.071 118.700 -0.285 0.000 2.744 1282 N HA 0.017 4.758 4.740 0.002 0.000 0.290 1282 N C -0.262 175.130 175.510 -0.198 0.000 1.206 1282 N CA -0.334 52.482 53.050 -0.390 0.000 1.119 1282 N CB 0.023 38.138 38.487 -0.620 0.000 1.449 1282 N HN 0.016 nan 8.380 nan 0.000 0.514 1283 K N 0.000 120.342 120.400 -0.097 0.000 2.780 1283 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1283 K CA 0.000 56.248 56.287 -0.065 0.000 0.838 1283 K CB 0.000 32.481 32.500 -0.031 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543