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 2j3j_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MTATNKQVIL KDYVSGFPTE SDFDFTTTTV ELRVPEGTNS VLVKNLYLSC DATA SEQUENCE DPYMRIRMGK PDPSTAALAQ AYTPGQPIQG YGVSRIIESG HPDYKKGDLL DATA SEQUENCE WGIVAWEEYS VITPMTHAHF KIQHTDVPLS YYTGLLGMPG MTAYAGFYEV DATA SEQUENCE CSPKEGETVY VSAASGAVGQ LVGQLAKMMG CYVVGSAGSK EKVDLLKTKF DATA SEQUENCE GFDDAFNYKE ESDLTAALKR CFPNGIDIYF ENVGGKMLDA VLVNMNMHGR DATA SEQUENCE IAVCGMISQY NLENQEGVHN LSNIIYKRNR IQGFVVSDFY DKYSKFLEFV DATA SEQUENCE LPHIREGKIT YVEDVADGLE KAPEALVGLF HGKNVGKQVV VVARE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.256 176.300 -0.073 0.000 1.140 1001 M CA 0.000 55.273 55.300 -0.045 0.000 0.988 1001 M CB 0.000 32.576 32.600 -0.040 0.000 1.302 1002 T N 1.798 116.308 114.554 -0.074 0.000 2.867 1002 T HA 0.913 5.261 4.350 -0.002 0.000 0.282 1002 T C -0.601 174.024 174.700 -0.126 0.000 1.000 1002 T CA -0.247 61.793 62.100 -0.100 0.000 1.042 1002 T CB 0.977 69.805 68.868 -0.066 0.000 0.973 1002 T HN 0.733 nan 8.240 nan 0.000 0.465 1003 A N 3.151 125.849 122.820 -0.203 0.000 2.330 1003 A HA 0.622 4.941 4.320 -0.002 0.000 0.327 1003 A C 0.273 177.777 177.584 -0.133 0.000 1.155 1003 A CA -0.724 51.165 52.037 -0.247 0.000 0.803 1003 A CB 0.861 19.460 19.000 -0.669 0.000 1.208 1003 A HN 0.801 nan 8.150 nan 0.000 0.477 1004 T N 2.819 117.351 114.554 -0.036 0.000 2.992 1004 T HA 0.125 4.474 4.350 -0.002 0.000 0.299 1004 T C 0.245 174.999 174.700 0.090 0.000 1.027 1004 T CA -0.094 62.020 62.100 0.023 0.000 1.001 1004 T CB -0.696 68.189 68.868 0.028 0.000 1.005 1004 T HN 0.637 nan 8.240 nan 0.000 0.599 1005 N N 3.673 122.428 118.700 0.091 0.000 2.602 1005 N HA 0.095 4.834 4.740 -0.002 0.000 0.238 1005 N C -0.068 175.523 175.510 0.136 0.000 1.084 1005 N CA -0.366 52.782 53.050 0.164 0.000 0.952 1005 N CB 0.423 39.000 38.487 0.149 0.000 1.244 1005 N HN 0.433 nan 8.380 nan 0.000 0.512 1006 K N 2.168 122.654 120.400 0.144 0.000 2.237 1006 K HA 0.115 4.433 4.320 -0.002 0.000 0.270 1006 K C -0.537 176.157 176.600 0.157 0.000 1.015 1006 K CA 0.112 56.496 56.287 0.162 0.000 0.949 1006 K CB 0.748 33.355 32.500 0.178 0.000 0.976 1006 K HN 0.517 nan 8.250 nan 0.000 0.472 1007 Q N 1.471 121.365 119.800 0.158 0.000 2.423 1007 Q HA 0.417 4.755 4.340 -0.002 0.000 0.278 1007 Q C -1.500 174.470 176.000 -0.050 0.000 1.097 1007 Q CA -1.157 54.696 55.803 0.083 0.000 0.809 1007 Q CB 2.662 31.432 28.738 0.053 0.000 1.391 1007 Q HN 0.268 nan 8.270 nan 0.000 0.428 1008 V N 2.493 122.361 119.914 -0.077 0.000 2.378 1008 V HA 0.465 4.584 4.120 -0.002 0.000 0.288 1008 V C -0.259 175.799 176.094 -0.060 0.000 1.016 1008 V CA -0.520 61.639 62.300 -0.236 0.000 0.840 1008 V CB 1.009 32.828 31.823 -0.006 0.000 0.994 1008 V HN 0.668 nan 8.190 nan 0.000 0.431 1009 I N 4.240 124.725 120.570 -0.143 0.000 2.566 1009 I HA 0.416 4.585 4.170 -0.002 0.000 0.303 1009 I C -0.388 175.643 176.117 -0.144 0.000 0.983 1009 I CA -0.757 60.465 61.300 -0.129 0.000 1.235 1009 I CB 1.997 39.937 38.000 -0.101 0.000 1.386 1009 I HN 0.479 nan 8.210 nan 0.000 0.494 1010 L N 6.110 127.193 121.223 -0.234 0.000 2.289 1010 L HA 0.292 4.631 4.340 -0.002 0.000 0.285 1010 L C 0.914 177.650 176.870 -0.223 0.000 1.049 1010 L CA 0.165 54.813 54.840 -0.320 0.000 0.804 1010 L CB 0.875 42.714 42.059 -0.367 0.000 1.195 1010 L HN 0.512 nan 8.230 nan 0.000 0.428 1011 K N 1.695 121.981 120.400 -0.190 0.000 1.973 1011 K HA 0.001 4.320 4.320 -0.002 0.000 0.210 1011 K C -0.076 176.417 176.600 -0.178 0.000 1.045 1011 K CA 1.327 57.534 56.287 -0.133 0.000 0.937 1011 K CB 0.031 32.486 32.500 -0.076 0.000 0.721 1011 K HN 0.704 nan 8.250 nan 0.000 0.438 1012 D N -3.191 117.084 120.400 -0.209 0.000 2.692 1012 D HA 0.171 4.809 4.640 -0.002 0.000 0.303 1012 D C -1.372 174.791 176.300 -0.228 0.000 1.278 1012 D CA -0.697 53.134 54.000 -0.283 0.000 0.852 1012 D CB 0.484 41.193 40.800 -0.152 0.000 1.375 1012 D HN -0.065 nan 8.370 nan 0.000 0.453 1013 Y N -0.153 120.109 120.300 -0.064 0.000 2.597 1013 Y HA 0.307 4.856 4.550 -0.002 0.000 0.336 1013 Y C 0.595 176.451 175.900 -0.073 0.000 1.216 1013 Y CA -0.381 57.676 58.100 -0.072 0.000 1.463 1013 Y CB 0.690 39.113 38.460 -0.061 0.000 1.303 1013 Y HN -0.061 nan 8.280 nan 0.000 0.576 1014 V N 3.130 123.110 119.914 0.109 0.000 2.481 1014 V HA 0.266 4.385 4.120 -0.002 0.000 0.286 1014 V C -0.240 175.849 176.094 -0.010 0.000 1.042 1014 V CA -0.462 61.848 62.300 0.016 0.000 0.928 1014 V CB 1.566 33.363 31.823 -0.042 0.000 0.986 1014 V HN 0.734 nan 8.190 nan 0.000 0.462 1015 S N 2.860 118.559 115.700 -0.002 0.000 2.561 1015 S HA 0.792 5.260 4.470 -0.002 0.000 0.303 1015 S C 0.508 175.112 174.600 0.006 0.000 1.110 1015 S CA 0.223 58.416 58.200 -0.012 0.000 1.034 1015 S CB 1.448 64.652 63.200 0.007 0.000 1.010 1015 S HN 1.534 nan 8.310 nan 0.000 0.482 1016 G N 3.097 111.880 108.800 -0.028 0.000 2.514 1016 G HA2 -0.241 3.717 3.960 -0.002 0.000 0.265 1016 G HA3 -0.241 3.717 3.960 -0.002 0.000 0.265 1016 G C -0.518 174.320 174.900 -0.104 0.000 1.150 1016 G CA -0.302 44.792 45.100 -0.011 0.000 0.959 1016 G HN 0.566 nan 8.290 nan 0.000 0.556 1017 F N 3.139 123.071 119.950 -0.031 0.000 2.389 1017 F HA 0.548 5.074 4.527 -0.002 0.000 0.337 1017 F C -1.394 174.418 175.800 0.019 0.000 1.112 1017 F CA -1.080 56.898 58.000 -0.037 0.000 1.192 1017 F CB 1.291 40.324 39.000 0.055 0.000 1.185 1017 F HN 0.197 nan 8.300 nan 0.000 0.552 1018 P HA 0.262 nan 4.420 nan 0.000 0.278 1018 P C -0.942 176.620 177.300 0.437 0.000 1.238 1018 P CA -0.386 62.921 63.100 0.345 0.000 0.794 1018 P CB 1.008 32.971 31.700 0.438 0.000 0.955 1019 T N -2.298 112.495 114.554 0.399 0.000 2.916 1019 T HA 0.357 4.705 4.350 -0.002 0.000 0.292 1019 T C 0.800 175.736 174.700 0.393 0.000 1.055 1019 T CA -0.688 61.608 62.100 0.328 0.000 1.009 1019 T CB 1.491 70.498 68.868 0.231 0.000 1.118 1019 T HN 0.140 nan 8.240 nan 0.000 0.497 1020 E N 0.553 120.915 120.200 0.269 0.000 2.331 1020 E HA -0.055 4.293 4.350 -0.002 0.000 0.199 1020 E C 1.891 178.687 176.600 0.326 0.000 1.008 1020 E CA 0.959 57.496 56.400 0.230 0.000 0.843 1020 E CB -0.120 29.662 29.700 0.137 0.000 0.761 1020 E HN 0.594 nan 8.360 nan 0.000 0.507 1021 S N 0.460 116.334 115.700 0.289 0.000 2.436 1021 S HA -0.074 4.394 4.470 -0.002 0.000 0.228 1021 S C 1.017 175.746 174.600 0.214 0.000 1.014 1021 S CA 0.594 58.928 58.200 0.224 0.000 0.950 1021 S CB 0.077 63.372 63.200 0.158 0.000 0.784 1021 S HN 0.264 nan 8.310 nan 0.000 0.504 1022 D N 0.330 120.881 120.400 0.251 0.000 2.363 1022 D HA 0.128 4.767 4.640 -0.002 0.000 0.226 1022 D C -0.428 175.775 176.300 -0.162 0.000 1.020 1022 D CA 0.496 54.512 54.000 0.027 0.000 0.892 1022 D CB 0.112 40.878 40.800 -0.057 0.000 0.900 1022 D HN 0.286 nan 8.370 nan 0.000 0.531 1023 F N 0.277 120.247 119.950 0.032 0.000 2.538 1023 F HA 0.461 4.988 4.527 -0.002 0.000 0.325 1023 F C 0.420 176.213 175.800 -0.012 0.000 1.066 1023 F CA -1.120 56.871 58.000 -0.015 0.000 0.946 1023 F CB 1.642 40.651 39.000 0.014 0.000 1.199 1023 F HN -0.387 nan 8.300 nan 0.000 0.473 1024 D N -0.057 120.393 120.400 0.083 0.000 2.596 1024 D HA 0.529 5.168 4.640 -0.002 0.000 0.262 1024 D C -1.763 174.404 176.300 -0.222 0.000 1.210 1024 D CA -0.481 53.543 54.000 0.041 0.000 0.873 1024 D CB 1.688 42.522 40.800 0.056 0.000 1.408 1024 D HN 0.194 nan 8.370 nan 0.000 0.441 1025 F N 0.491 120.496 119.950 0.092 0.000 2.495 1025 F HA 0.588 5.114 4.527 -0.001 0.000 0.327 1025 F C 0.571 176.404 175.800 0.055 0.000 1.103 1025 F CA -0.215 57.830 58.000 0.075 0.000 0.949 1025 F CB 2.270 41.306 39.000 0.061 0.000 1.142 1025 F HN 0.172 nan 8.300 nan 0.000 0.457 1026 T N -1.450 113.218 114.554 0.192 0.000 2.864 1026 T HA 0.748 5.097 4.350 -0.002 0.000 0.299 1026 T C -0.837 173.946 174.700 0.139 0.000 1.166 1026 T CA -0.907 61.273 62.100 0.134 0.000 1.007 1026 T CB 1.921 70.829 68.868 0.066 0.000 1.219 1026 T HN 0.384 nan 8.240 nan 0.000 0.506 1027 T N 1.909 116.523 114.554 0.101 0.000 2.876 1027 T HA 0.801 5.150 4.350 -0.002 0.000 0.289 1027 T C -0.266 174.468 174.700 0.057 0.000 1.014 1027 T CA -0.719 61.432 62.100 0.085 0.000 0.986 1027 T CB 1.789 70.703 68.868 0.075 0.000 1.021 1027 T HN 1.066 nan 8.240 nan 0.000 0.458 1028 T N -1.143 113.443 114.554 0.053 0.000 2.888 1028 T HA 0.793 5.142 4.350 -0.002 0.000 0.288 1028 T C -0.595 174.115 174.700 0.017 0.000 1.063 1028 T CA -1.006 61.114 62.100 0.032 0.000 1.010 1028 T CB 1.606 70.494 68.868 0.033 0.000 1.214 1028 T HN 0.565 nan 8.240 nan 0.000 0.533 1029 T N -0.522 114.030 114.554 -0.004 0.000 2.991 1029 T HA 0.566 4.915 4.350 -0.002 0.000 0.347 1029 T C -0.634 174.038 174.700 -0.048 0.000 1.122 1029 T CA -0.660 61.421 62.100 -0.032 0.000 1.062 1029 T CB 0.324 69.176 68.868 -0.026 0.000 1.043 1029 T HN 0.550 nan 8.240 nan 0.000 0.491 1030 V N 3.386 123.249 119.914 -0.084 0.000 2.370 1030 V HA 0.322 4.441 4.120 -0.002 0.000 0.279 1030 V C 0.390 176.380 176.094 -0.173 0.000 1.029 1030 V CA -0.695 61.541 62.300 -0.106 0.000 0.870 1030 V CB 1.233 33.005 31.823 -0.086 0.000 0.984 1030 V HN 0.803 nan 8.190 nan 0.000 0.451 1031 E N 3.749 123.878 120.200 -0.118 0.000 2.229 1031 E HA 0.170 4.519 4.350 -0.002 0.000 0.283 1031 E C 0.459 176.989 176.600 -0.115 0.000 1.030 1031 E CA -0.497 55.834 56.400 -0.115 0.000 0.836 1031 E CB 1.728 31.388 29.700 -0.067 0.000 1.068 1031 E HN 0.486 nan 8.360 nan 0.000 0.401 1032 L N 2.723 123.864 121.223 -0.137 0.000 2.661 1032 L HA -0.186 4.152 4.340 -0.002 0.000 0.236 1032 L C 1.208 178.059 176.870 -0.031 0.000 1.176 1032 L CA 1.427 56.209 54.840 -0.098 0.000 0.836 1032 L CB -0.678 41.330 42.059 -0.085 0.000 0.960 1032 L HN 0.278 nan 8.230 nan 0.000 0.455 1033 R N -1.907 118.576 120.500 -0.028 0.000 2.603 1033 R HA 0.462 4.801 4.340 -0.002 0.000 0.231 1033 R C -0.487 175.813 176.300 -0.001 0.000 1.263 1033 R CA -0.746 55.349 56.100 -0.008 0.000 1.102 1033 R CB 0.619 30.913 30.300 -0.011 0.000 1.527 1033 R HN -0.202 nan 8.270 nan 0.000 0.554 1034 V N 2.544 122.461 119.914 0.004 0.000 2.720 1034 V HA 0.117 4.235 4.120 -0.002 0.000 0.307 1034 V C -1.932 174.164 176.094 0.003 0.000 1.071 1034 V CA -0.558 61.747 62.300 0.008 0.000 1.199 1034 V CB -0.130 31.699 31.823 0.009 0.000 0.900 1034 V HN 0.704 nan 8.190 nan 0.000 0.494 1035 P HA 0.556 nan 4.420 nan 0.000 0.300 1035 P C -0.934 176.365 177.300 -0.002 0.000 1.326 1035 P CA -0.681 62.418 63.100 -0.002 0.000 0.844 1035 P CB 1.031 32.728 31.700 -0.005 0.000 0.992 1036 E N 1.088 121.286 120.200 -0.004 0.000 2.174 1036 E HA 0.632 4.981 4.350 -0.002 0.000 0.282 1036 E C 0.498 177.093 176.600 -0.009 0.000 0.992 1036 E CA -0.273 56.124 56.400 -0.006 0.000 0.803 1036 E CB 1.305 31.002 29.700 -0.005 0.000 1.090 1036 E HN 0.673 nan 8.360 nan 0.000 0.396 1037 G N 1.109 109.901 108.800 -0.012 0.000 2.927 1037 G HA2 -0.094 3.865 3.960 -0.002 0.000 0.111 1037 G HA3 -0.094 3.865 3.960 -0.002 0.000 0.111 1037 G C 0.802 175.689 174.900 -0.022 0.000 1.198 1037 G CA 0.210 45.300 45.100 -0.016 0.000 1.382 1037 G HN 0.491 nan 8.290 nan 0.000 0.663 1038 T N -1.726 112.812 114.554 -0.026 0.000 2.735 1038 T HA 0.203 4.551 4.350 -0.002 0.000 0.256 1038 T C 0.891 175.559 174.700 -0.053 0.000 1.042 1038 T CA 1.827 63.906 62.100 -0.035 0.000 1.147 1038 T CB 0.028 68.877 68.868 -0.031 0.000 0.865 1038 T HN 0.468 nan 8.240 nan 0.000 0.421 1039 N N 0.531 119.201 118.700 -0.050 0.000 3.444 1039 N HA 0.151 4.889 4.740 -0.002 0.000 0.148 1039 N C -1.634 173.884 175.510 0.013 0.000 1.071 1039 N CA -0.244 52.766 53.050 -0.067 0.000 2.391 1039 N CB 0.579 38.957 38.487 -0.182 0.000 1.507 1039 N HN 0.330 nan 8.380 nan 0.000 0.732 1040 S N 0.038 115.736 115.700 -0.003 0.000 2.584 1040 S HA 0.665 5.134 4.470 -0.002 0.000 0.273 1040 S C 0.524 175.112 174.600 -0.020 0.000 1.311 1040 S CA -0.619 57.569 58.200 -0.021 0.000 1.034 1040 S CB 1.729 64.916 63.200 -0.022 0.000 0.939 1040 S HN 0.217 nan 8.310 nan 0.000 0.513 1041 V N 0.997 120.867 119.914 -0.073 0.000 2.760 1041 V HA 0.648 4.767 4.120 -0.002 0.000 0.309 1041 V C -0.794 175.262 176.094 -0.062 0.000 1.077 1041 V CA -1.053 61.201 62.300 -0.077 0.000 0.910 1041 V CB 1.449 33.172 31.823 -0.166 0.000 1.008 1041 V HN 0.788 nan 8.190 nan 0.000 0.424 1042 L N 5.737 126.952 121.223 -0.012 0.000 2.264 1042 L HA 0.765 5.104 4.340 -0.002 0.000 0.289 1042 L C 0.131 177.027 176.870 0.043 0.000 1.044 1042 L CA -0.283 54.575 54.840 0.030 0.000 0.807 1042 L CB 1.265 43.360 42.059 0.060 0.000 1.192 1042 L HN 0.897 nan 8.230 nan 0.000 0.425 1043 V N 1.916 121.854 119.914 0.039 0.000 3.267 1043 V HA 0.616 4.735 4.120 -0.002 0.000 0.317 1043 V C -0.584 175.524 176.094 0.023 0.000 1.131 1043 V CA -1.008 61.305 62.300 0.022 0.000 1.031 1043 V CB 1.678 33.487 31.823 -0.023 0.000 1.159 1043 V HN 0.782 nan 8.190 nan 0.000 0.454 1044 K N 1.449 121.794 120.400 -0.090 0.000 2.545 1044 K HA 0.453 4.772 4.320 -0.002 0.000 0.252 1044 K C -1.137 175.342 176.600 -0.202 0.000 0.948 1044 K CA -0.555 55.530 56.287 -0.337 0.000 0.827 1044 K CB 0.999 33.253 32.500 -0.409 0.000 1.128 1044 K HN 0.867 nan 8.250 nan 0.000 0.429 1045 N N 4.735 123.320 118.700 -0.191 0.000 2.442 1045 N HA 0.135 4.873 4.740 -0.002 0.000 0.265 1045 N C 0.582 175.996 175.510 -0.161 0.000 1.138 1045 N CA -0.029 52.967 53.050 -0.091 0.000 0.956 1045 N CB 0.816 39.279 38.487 -0.041 0.000 1.067 1045 N HN 0.506 nan 8.380 nan 0.000 0.474 1046 L N 0.879 122.021 121.223 -0.135 0.000 2.433 1046 L HA 0.284 4.623 4.340 -0.002 0.000 0.200 1046 L C -0.219 176.345 176.870 -0.511 0.000 1.059 1046 L CA 0.476 55.116 54.840 -0.334 0.000 0.835 1046 L CB -0.078 41.797 42.059 -0.308 0.000 1.076 1046 L HN 0.404 nan 8.230 nan 0.000 0.481 1047 Y N -0.460 119.864 120.300 0.039 0.000 2.562 1047 Y HA 0.716 5.264 4.550 -0.002 0.000 0.343 1047 Y C -0.587 175.355 175.900 0.071 0.000 1.025 1047 Y CA -0.993 57.138 58.100 0.051 0.000 1.082 1047 Y CB 1.860 40.380 38.460 0.099 0.000 1.264 1047 Y HN -0.235 nan 8.280 nan 0.000 0.478 1048 L N 0.498 121.847 121.223 0.210 0.000 2.465 1048 L HA 0.617 4.956 4.340 -0.002 0.000 0.257 1048 L C -0.764 176.207 176.870 0.170 0.000 0.988 1048 L CA -0.307 54.618 54.840 0.141 0.000 0.827 1048 L CB 2.618 44.600 42.059 -0.128 0.000 1.397 1048 L HN 0.633 nan 8.230 nan 0.000 0.410 1049 S N 0.314 116.181 115.700 0.280 0.000 2.532 1049 S HA 0.703 5.172 4.470 -0.002 0.000 0.301 1049 S C -1.260 173.564 174.600 0.374 0.000 1.083 1049 S CA -0.429 57.946 58.200 0.292 0.000 1.025 1049 S CB 0.893 64.291 63.200 0.330 0.000 1.056 1049 S HN 0.647 nan 8.310 nan 0.000 0.494 1050 C N 3.869 123.324 119.300 0.258 0.000 2.362 1050 C HA 0.557 5.016 4.460 -0.002 0.000 0.309 1050 C C -0.650 174.411 174.990 0.118 0.000 1.110 1050 C CA -1.377 57.782 59.018 0.236 0.000 1.485 1050 C CB -0.791 27.052 27.740 0.170 0.000 1.949 1050 C HN 0.723 nan 8.230 nan 0.000 0.419 1051 D N 3.403 123.863 120.400 0.100 0.000 2.192 1051 D HA 0.291 4.930 4.640 -0.002 0.000 0.246 1051 D C -1.963 174.350 176.300 0.021 0.000 1.042 1051 D CA -1.270 52.777 54.000 0.078 0.000 0.847 1051 D CB 2.146 43.047 40.800 0.169 0.000 1.186 1051 D HN 0.144 nan 8.370 nan 0.000 0.461 1052 P HA -0.040 nan 4.420 nan 0.000 0.247 1052 P C 0.959 178.480 177.300 0.368 0.000 1.225 1052 P CA 0.487 63.754 63.100 0.277 0.000 0.768 1052 P CB -0.273 31.607 31.700 0.299 0.000 1.020 1053 Y N -2.163 118.253 120.300 0.194 0.000 2.293 1053 Y HA -0.076 4.473 4.550 -0.002 0.000 0.291 1053 Y C 1.981 177.850 175.900 -0.052 0.000 1.137 1053 Y CA 0.682 58.789 58.100 0.012 0.000 1.202 1053 Y CB -1.618 36.865 38.460 0.038 0.000 0.990 1053 Y HN -0.180 nan 8.280 nan 0.000 0.537 1054 M N 0.142 119.675 119.600 -0.112 0.000 2.260 1054 M HA -0.215 4.264 4.480 -0.002 0.000 0.261 1054 M C 2.330 178.636 176.300 0.010 0.000 1.066 1054 M CA 1.558 56.809 55.300 -0.081 0.000 1.082 1054 M CB -0.348 32.207 32.600 -0.075 0.000 1.388 1054 M HN 0.219 nan 8.290 nan 0.000 0.419 1055 R N 1.078 121.596 120.500 0.029 0.000 2.092 1055 R HA -0.080 4.259 4.340 -0.002 0.000 0.231 1055 R C 0.989 177.144 176.300 -0.242 0.000 1.119 1055 R CA 1.189 57.183 56.100 -0.176 0.000 0.970 1055 R CB -0.327 29.753 30.300 -0.367 0.000 0.864 1055 R HN 0.449 nan 8.270 nan 0.000 0.440 1056 I N -1.803 118.588 120.570 -0.299 0.000 3.478 1056 I HA 0.339 4.508 4.170 -0.002 0.000 0.347 1056 I C 0.912 176.865 176.117 -0.273 0.000 1.443 1056 I CA 0.195 61.306 61.300 -0.314 0.000 1.097 1056 I CB 0.754 38.493 38.000 -0.435 0.000 1.598 1056 I HN -0.145 nan 8.210 nan 0.000 0.474 1057 R N 0.279 120.595 120.500 -0.306 0.000 2.688 1057 R HA 0.386 4.725 4.340 -0.002 0.000 0.236 1057 R C 1.445 177.411 176.300 -0.558 0.000 0.981 1057 R CA 0.175 55.981 56.100 -0.490 0.000 1.139 1057 R CB 0.266 30.182 30.300 -0.640 0.000 1.677 1057 R HN 0.337 nan 8.270 nan 0.000 0.554 1058 M N 0.265 119.706 119.600 -0.265 0.000 2.514 1058 M HA 0.192 4.671 4.480 -0.002 0.000 0.258 1058 M C 1.019 177.338 176.300 0.031 0.000 1.119 1058 M CA 0.610 55.899 55.300 -0.018 0.000 1.111 1058 M CB 0.781 33.368 32.600 -0.021 0.000 1.390 1058 M HN 0.110 nan 8.290 nan 0.000 0.475 1059 G N 0.245 108.986 108.800 -0.099 0.000 2.528 1059 G HA2 0.149 4.108 3.960 -0.002 0.000 0.289 1059 G HA3 0.149 4.108 3.960 -0.002 0.000 0.289 1059 G C -0.449 174.227 174.900 -0.373 0.000 1.192 1059 G CA -0.600 44.406 45.100 -0.157 0.000 0.921 1059 G HN -0.005 nan 8.290 nan 0.000 0.512 1060 K N 1.552 121.628 120.400 -0.540 0.000 2.472 1060 K HA 0.059 4.378 4.320 -0.002 0.000 0.280 1060 K C -1.766 174.519 176.600 -0.525 0.000 1.028 1060 K CA -0.951 54.837 56.287 -0.831 0.000 1.045 1060 K CB 0.704 32.916 32.500 -0.480 0.000 0.902 1060 K HN 0.235 nan 8.250 nan 0.000 0.478 1061 P HA -0.028 nan 4.420 nan 0.000 0.252 1061 P C -0.835 176.349 177.300 -0.193 0.000 1.183 1061 P CA 0.215 63.152 63.100 -0.270 0.000 0.973 1061 P CB 0.049 31.628 31.700 -0.203 0.000 0.990 1062 D N 4.388 124.681 120.400 -0.177 0.000 2.193 1062 D HA 0.231 4.870 4.640 -0.002 0.000 0.244 1062 D C -1.407 174.824 176.300 -0.115 0.000 1.064 1062 D CA -2.324 51.594 54.000 -0.136 0.000 0.845 1062 D CB 1.251 41.969 40.800 -0.136 0.000 1.148 1062 D HN 0.065 nan 8.370 nan 0.000 0.464 1063 P HA -0.113 nan 4.420 nan 0.000 0.221 1063 P C 0.743 177.996 177.300 -0.079 0.000 1.145 1063 P CA 0.789 63.842 63.100 -0.079 0.000 0.795 1063 P CB 0.321 31.982 31.700 -0.065 0.000 0.775 1064 S N -0.948 114.702 115.700 -0.084 0.000 2.357 1064 S HA -0.117 4.352 4.470 -0.002 0.000 0.221 1064 S C 1.984 176.525 174.600 -0.098 0.000 1.031 1064 S CA 1.960 60.110 58.200 -0.083 0.000 0.982 1064 S CB -1.275 61.877 63.200 -0.080 0.000 0.853 1064 S HN 0.397 nan 8.310 nan 0.000 0.458 1065 T N 0.518 115.001 114.554 -0.118 0.000 2.937 1065 T HA 0.228 4.577 4.350 -0.002 0.000 0.260 1065 T C 1.676 176.294 174.700 -0.136 0.000 1.051 1065 T CA 0.791 62.806 62.100 -0.142 0.000 1.141 1065 T CB -0.399 68.367 68.868 -0.171 0.000 0.879 1065 T HN 0.277 nan 8.240 nan 0.000 0.459 1066 A N 1.064 123.810 122.820 -0.123 0.000 2.258 1066 A HA 0.686 5.005 4.320 -0.002 0.000 0.206 1066 A C 1.405 178.936 177.584 -0.088 0.000 1.222 1066 A CA 0.336 52.308 52.037 -0.108 0.000 0.822 1066 A CB -0.857 18.083 19.000 -0.101 0.000 0.804 1066 A HN 0.822 nan 8.150 nan 0.000 0.483 1067 A N -0.722 122.044 122.820 -0.089 0.000 3.317 1067 A HA 0.609 4.927 4.320 -0.002 0.000 0.307 1067 A C -0.153 177.379 177.584 -0.086 0.000 1.003 1067 A CA -0.013 51.978 52.037 -0.077 0.000 0.882 1067 A CB -0.028 18.931 19.000 -0.068 0.000 1.136 1067 A HN 0.937 nan 8.150 nan 0.000 0.488 1068 L N -0.465 120.702 121.223 -0.094 0.000 1.383 1068 L HA 0.768 5.107 4.340 -0.002 0.000 0.087 1068 L C -0.349 176.455 176.870 -0.110 0.000 1.492 1068 L CA 1.163 55.940 54.840 -0.106 0.000 1.115 1068 L CB 0.198 42.181 42.059 -0.126 0.000 2.265 1068 L HN 1.021 nan 8.230 nan 0.000 0.448 1069 A N 0.100 122.847 122.820 -0.122 0.000 2.518 1069 A HA 0.555 4.874 4.320 -0.002 0.000 0.295 1069 A C -0.279 177.231 177.584 -0.123 0.000 1.052 1069 A CA -0.104 51.859 52.037 -0.123 0.000 0.824 1069 A CB 1.031 19.924 19.000 -0.178 0.000 1.325 1069 A HN 0.341 nan 8.150 nan 0.000 0.394 1070 Q N 0.987 120.727 119.800 -0.100 0.000 0.696 1070 Q HA 0.190 4.529 4.340 -0.002 0.000 0.867 1070 Q C 0.706 176.626 176.000 -0.134 0.000 0.880 1070 Q CA 2.899 58.644 55.803 -0.096 0.000 0.866 1070 Q CB -0.067 28.637 28.738 -0.056 0.000 0.913 1070 Q HN 1.997 nan 8.270 nan 0.000 0.190 1071 A N -2.034 120.716 122.820 -0.116 0.000 2.566 1071 A HA 0.505 4.824 4.320 -0.002 0.000 0.297 1071 A C -1.814 175.759 177.584 -0.017 0.000 1.059 1071 A CA -0.683 51.279 52.037 -0.125 0.000 0.691 1071 A CB 0.540 19.509 19.000 -0.052 0.000 1.282 1071 A HN 0.452 nan 8.150 nan 0.000 0.401 1072 Y N 1.164 121.500 120.300 0.059 0.000 2.377 1072 Y HA 0.268 4.817 4.550 -0.002 0.000 0.330 1072 Y C 1.123 177.026 175.900 0.006 0.000 1.108 1072 Y CA 0.134 58.236 58.100 0.003 0.000 1.308 1072 Y CB 1.121 39.539 38.460 -0.070 0.000 1.216 1072 Y HN 0.594 nan 8.280 nan 0.000 0.518 1073 T N 6.719 121.355 114.554 0.136 0.000 2.737 1073 T HA 0.138 4.486 4.350 -0.002 0.000 0.296 1073 T C -2.376 172.266 174.700 -0.097 0.000 0.922 1073 T CA -1.330 60.779 62.100 0.015 0.000 1.079 1073 T CB 0.381 69.260 68.868 0.018 0.000 0.892 1073 T HN 0.298 nan 8.240 nan 0.000 0.514 1074 P HA 0.192 nan 4.420 nan 0.000 0.258 1074 P C 0.899 178.099 177.300 -0.167 0.000 1.187 1074 P CA 0.831 63.763 63.100 -0.281 0.000 0.767 1074 P CB 0.116 31.571 31.700 -0.407 0.000 0.770 1075 G N 1.479 110.188 108.800 -0.150 0.000 2.131 1075 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.223 1075 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.223 1075 G C -0.089 174.763 174.900 -0.080 0.000 0.990 1075 G CA -0.488 44.550 45.100 -0.103 0.000 0.671 1075 G HN 0.507 nan 8.290 nan 0.000 0.521 1076 Q N 0.224 119.969 119.800 -0.092 0.000 2.365 1076 Q HA 0.467 4.805 4.340 -0.002 0.000 0.269 1076 Q C -2.439 173.497 176.000 -0.106 0.000 1.061 1076 Q CA -1.834 53.927 55.803 -0.071 0.000 0.816 1076 Q CB 2.828 31.538 28.738 -0.046 0.000 1.325 1076 Q HN 0.268 nan 8.270 nan 0.000 0.446 1077 P HA 0.047 nan 4.420 nan 0.000 0.265 1077 P C -0.114 177.043 177.300 -0.238 0.000 1.193 1077 P CA 0.042 63.075 63.100 -0.111 0.000 0.765 1077 P CB 0.567 32.260 31.700 -0.011 0.000 0.823 1078 I N 2.741 123.060 120.570 -0.418 0.000 2.769 1078 I HA -0.114 4.054 4.170 -0.002 0.000 0.285 1078 I C 1.313 177.040 176.117 -0.650 0.000 1.173 1078 I CA 0.773 61.517 61.300 -0.926 0.000 1.389 1078 I CB -0.453 36.863 38.000 -1.139 0.000 1.404 1078 I HN 0.291 nan 8.210 nan 0.000 0.544 1079 Q N 4.361 123.902 119.800 -0.432 0.000 2.373 1079 Q HA 0.661 5.000 4.340 -0.002 0.000 0.255 1079 Q C 0.387 176.410 176.000 0.038 0.000 0.980 1079 Q CA 0.078 55.866 55.803 -0.026 0.000 0.882 1079 Q CB 1.409 30.241 28.738 0.155 0.000 1.249 1079 Q HN 0.834 nan 8.270 nan 0.000 0.438 1080 G N 0.279 109.191 108.800 0.187 0.000 2.489 1080 G HA2 0.261 4.220 3.960 -0.002 0.000 0.291 1080 G HA3 0.261 4.220 3.960 -0.002 0.000 0.291 1080 G C -1.951 173.190 174.900 0.402 0.000 1.487 1080 G CA -0.877 44.428 45.100 0.341 0.000 0.795 1080 G HN 0.440 nan 8.290 nan 0.000 0.513 1081 Y N 0.037 120.629 120.300 0.488 0.000 2.425 1081 Y HA 0.477 5.026 4.550 -0.002 0.000 0.331 1081 Y C 1.143 177.292 175.900 0.416 0.000 1.157 1081 Y CA 1.441 59.813 58.100 0.453 0.000 1.372 1081 Y CB 1.735 40.498 38.460 0.504 0.000 1.253 1081 Y HN 0.902 nan 8.280 nan 0.000 0.536 1082 G N 1.063 110.219 108.800 0.595 0.000 2.442 1082 G HA2 0.378 4.337 3.960 -0.002 0.000 0.296 1082 G HA3 0.378 4.337 3.960 -0.002 0.000 0.296 1082 G C -2.048 173.113 174.900 0.435 0.000 1.564 1082 G CA -1.017 44.358 45.100 0.458 0.000 0.828 1082 G HN 0.452 nan 8.290 nan 0.000 0.571 1083 V N 1.001 121.162 119.914 0.412 0.000 2.555 1083 V HA 0.615 4.733 4.120 -0.002 0.000 0.286 1083 V C 0.446 176.703 176.094 0.273 0.000 1.044 1083 V CA -0.062 62.471 62.300 0.388 0.000 1.026 1083 V CB 0.970 33.061 31.823 0.447 0.000 0.981 1083 V HN 0.745 nan 8.190 nan 0.000 0.480 1084 S N 4.084 119.913 115.700 0.215 0.000 2.549 1084 S HA 0.671 5.139 4.470 -0.002 0.000 0.280 1084 S C -0.572 174.080 174.600 0.086 0.000 1.109 1084 S CA -0.833 57.437 58.200 0.116 0.000 0.905 1084 S CB 2.133 65.395 63.200 0.104 0.000 1.081 1084 S HN 0.779 nan 8.310 nan 0.000 0.477 1085 R N 1.836 122.360 120.500 0.039 0.000 2.480 1085 R HA 0.533 4.872 4.340 -0.002 0.000 0.306 1085 R C -1.371 174.945 176.300 0.027 0.000 0.958 1085 R CA -0.681 55.443 56.100 0.039 0.000 0.861 1085 R CB 0.514 30.832 30.300 0.030 0.000 1.171 1085 R HN 0.545 nan 8.270 nan 0.000 0.445 1086 I N 6.061 126.656 120.570 0.042 0.000 2.587 1086 I HA -0.070 4.099 4.170 -0.002 0.000 0.284 1086 I C 1.079 177.230 176.117 0.055 0.000 1.134 1086 I CA 0.236 61.561 61.300 0.041 0.000 1.410 1086 I CB 0.779 38.816 38.000 0.063 0.000 1.392 1086 I HN 0.698 nan 8.210 nan 0.000 0.545 1087 I N 4.068 124.678 120.570 0.066 0.000 2.556 1087 I HA 0.154 4.323 4.170 -0.002 0.000 0.251 1087 I C 0.657 176.812 176.117 0.063 0.000 1.105 1087 I CA 0.885 62.235 61.300 0.083 0.000 1.436 1087 I CB -0.569 37.517 38.000 0.143 0.000 1.139 1087 I HN 0.551 nan 8.210 nan 0.000 0.438 1088 E N -0.791 119.442 120.200 0.055 0.000 2.335 1088 E HA 0.405 4.754 4.350 -0.002 0.000 0.280 1088 E C -1.219 175.404 176.600 0.037 0.000 0.918 1088 E CA -0.114 56.312 56.400 0.043 0.000 0.765 1088 E CB 2.380 32.100 29.700 0.034 0.000 1.218 1088 E HN -0.059 nan 8.360 nan 0.000 0.425 1089 S N 1.117 116.845 115.700 0.047 0.000 2.542 1089 S HA 0.762 5.231 4.470 -0.002 0.000 0.293 1089 S C 0.028 174.665 174.600 0.061 0.000 1.089 1089 S CA -0.008 58.228 58.200 0.060 0.000 0.961 1089 S CB 1.383 64.642 63.200 0.099 0.000 1.062 1089 S HN 0.607 nan 8.310 nan 0.000 0.483 1090 G N 1.835 110.677 108.800 0.070 0.000 3.695 1090 G HA2 0.195 4.154 3.960 -0.002 0.000 0.277 1090 G HA3 0.195 4.154 3.960 -0.002 0.000 0.277 1090 G C -0.150 174.806 174.900 0.093 0.000 1.001 1090 G CA -0.107 45.028 45.100 0.060 0.000 0.837 1090 G HN 0.688 nan 8.290 nan 0.000 0.492 1091 H N 1.221 120.319 119.070 0.048 0.000 2.499 1091 H HA 0.391 4.946 4.556 -0.002 0.000 0.340 1091 H C -1.578 173.806 175.328 0.093 0.000 1.148 1091 H CA -1.830 54.268 56.048 0.084 0.000 1.215 1091 H CB 3.036 32.886 29.762 0.146 0.000 1.529 1091 H HN -0.080 nan 8.280 nan 0.000 0.510 1092 P HA -0.070 nan 4.420 nan 0.000 0.217 1092 P C 0.488 177.901 177.300 0.189 0.000 1.151 1092 P CA 0.918 64.144 63.100 0.210 0.000 0.828 1092 P CB 0.695 32.454 31.700 0.099 0.000 0.788 1093 D N -1.571 118.981 120.400 0.252 0.000 2.347 1093 D HA -0.022 4.616 4.640 -0.002 0.000 0.213 1093 D C 0.064 176.101 176.300 -0.439 0.000 0.985 1093 D CA 0.750 54.665 54.000 -0.141 0.000 0.879 1093 D CB -0.025 40.617 40.800 -0.263 0.000 0.919 1093 D HN 0.304 nan 8.370 nan 0.000 0.526 1094 Y N 0.937 121.189 120.300 -0.081 0.000 2.328 1094 Y HA 0.274 4.823 4.550 -0.002 0.000 0.336 1094 Y C 0.621 176.516 175.900 -0.008 0.000 0.960 1094 Y CA -0.767 57.282 58.100 -0.086 0.000 1.134 1094 Y CB 1.377 39.728 38.460 -0.182 0.000 1.166 1094 Y HN -0.436 nan 8.280 nan 0.000 0.464 1095 K N 2.014 122.487 120.400 0.122 0.000 2.295 1095 K HA 0.428 4.747 4.320 -0.002 0.000 0.239 1095 K C -0.874 175.778 176.600 0.087 0.000 0.991 1095 K CA -1.459 54.879 56.287 0.086 0.000 0.845 1095 K CB 1.669 34.196 32.500 0.046 0.000 1.197 1095 K HN 0.421 nan 8.250 nan 0.000 0.441 1096 K N 0.404 120.844 120.400 0.067 0.000 2.402 1096 K HA 0.202 4.521 4.320 -0.002 0.000 0.279 1096 K C 0.960 177.592 176.600 0.052 0.000 1.082 1096 K CA 0.980 57.302 56.287 0.058 0.000 1.080 1096 K CB -0.518 32.010 32.500 0.047 0.000 0.899 1096 K HN 0.906 nan 8.250 nan 0.000 0.469 1097 G N 1.958 110.792 108.800 0.057 0.000 2.179 1097 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.220 1097 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.220 1097 G C -0.248 174.687 174.900 0.059 0.000 0.990 1097 G CA -0.383 44.748 45.100 0.052 0.000 0.646 1097 G HN 0.596 nan 8.290 nan 0.000 0.517 1098 D N 0.485 120.931 120.400 0.078 0.000 2.357 1098 D HA 0.502 5.141 4.640 -0.002 0.000 0.242 1098 D C 0.675 177.044 176.300 0.114 0.000 1.153 1098 D CA 0.141 54.199 54.000 0.097 0.000 0.918 1098 D CB 1.001 41.886 40.800 0.142 0.000 1.181 1098 D HN 0.058 nan 8.370 nan 0.000 0.435 1099 L N 1.493 122.783 121.223 0.113 0.000 2.330 1099 L HA 0.551 4.890 4.340 -0.002 0.000 0.271 1099 L C -0.015 176.951 176.870 0.161 0.000 1.013 1099 L CA -0.821 54.085 54.840 0.109 0.000 0.816 1099 L CB 1.337 43.435 42.059 0.066 0.000 1.287 1099 L HN 0.352 nan 8.230 nan 0.000 0.435 1100 L N 0.020 121.339 121.223 0.160 0.000 2.409 1100 L HA 0.753 5.092 4.340 -0.002 0.000 0.255 1100 L C -1.253 175.785 176.870 0.280 0.000 1.027 1100 L CA -0.697 54.267 54.840 0.205 0.000 0.834 1100 L CB 2.217 44.345 42.059 0.114 0.000 1.426 1100 L HN 0.668 nan 8.230 nan 0.000 0.411 1101 W N 0.875 122.290 121.300 0.193 0.000 2.844 1101 W HA 0.935 5.594 4.660 -0.002 0.000 0.340 1101 W C -0.465 176.258 176.519 0.340 0.000 1.093 1101 W CA -0.597 56.899 57.345 0.252 0.000 1.212 1101 W CB 1.291 30.895 29.460 0.240 0.000 1.422 1101 W HN 1.059 nan 8.180 nan 0.000 0.515 1102 G N 1.205 110.293 108.800 0.479 0.000 2.333 1102 G HA2 0.239 4.198 3.960 -0.002 0.000 0.288 1102 G HA3 0.239 4.198 3.960 -0.002 0.000 0.288 1102 G C -2.109 172.847 174.900 0.093 0.000 1.286 1102 G CA -1.235 43.938 45.100 0.121 0.000 0.865 1102 G HN 0.593 nan 8.290 nan 0.000 0.506 1103 I N 1.893 122.256 120.570 -0.344 0.000 2.294 1103 I HA 0.378 4.546 4.170 -0.002 0.000 0.295 1103 I C 0.625 176.829 176.117 0.145 0.000 1.098 1103 I CA -0.595 60.608 61.300 -0.161 0.000 1.277 1103 I CB 0.608 38.404 38.000 -0.339 0.000 1.434 1103 I HN 0.481 nan 8.210 nan 0.000 0.498 1104 V N 3.264 123.289 119.914 0.185 0.000 2.881 1104 V HA 0.881 5.000 4.120 -0.002 0.000 0.316 1104 V C 0.319 176.534 176.094 0.202 0.000 1.070 1104 V CA -0.847 61.571 62.300 0.197 0.000 0.976 1104 V CB 1.572 33.521 31.823 0.209 0.000 1.038 1104 V HN 0.645 nan 8.190 nan 0.000 0.446 1105 A N 1.424 124.347 122.820 0.171 0.000 2.279 1105 A HA 0.626 4.945 4.320 -0.002 0.000 0.303 1105 A C -0.706 177.061 177.584 0.304 0.000 1.108 1105 A CA -0.520 51.624 52.037 0.178 0.000 0.830 1105 A CB 0.393 19.451 19.000 0.097 0.000 1.106 1105 A HN 0.882 nan 8.150 nan 0.000 0.493 1106 W N 1.994 123.289 121.300 -0.009 0.000 1.836 1106 W HA 0.366 5.025 4.660 -0.001 0.000 0.449 1106 W C 0.393 176.906 176.519 -0.010 0.000 0.787 1106 W CA -0.205 57.137 57.345 -0.005 0.000 1.729 1106 W CB -0.583 28.862 29.460 -0.026 0.000 1.802 1106 W HN 0.719 nan 8.180 nan 0.000 0.257 1107 E N -1.041 119.256 120.200 0.162 0.000 2.413 1107 E HA 0.289 4.638 4.350 -0.002 0.000 0.277 1107 E C 0.127 176.763 176.600 0.059 0.000 0.958 1107 E CA -0.774 55.692 56.400 0.110 0.000 0.779 1107 E CB 1.646 31.417 29.700 0.118 0.000 1.278 1107 E HN 0.090 nan 8.360 nan 0.000 0.456 1108 E N 0.068 120.302 120.200 0.057 0.000 2.150 1108 E HA -0.060 4.289 4.350 -0.002 0.000 0.193 1108 E C -0.465 175.982 176.600 -0.254 0.000 0.985 1108 E CA 1.131 57.490 56.400 -0.068 0.000 0.814 1108 E CB 0.051 29.756 29.700 0.009 0.000 0.752 1108 E HN 0.346 nan 8.360 nan 0.000 0.466 1109 Y N -0.394 119.921 120.300 0.025 0.000 2.329 1109 Y HA 0.284 4.833 4.550 -0.002 0.000 0.328 1109 Y C -0.306 175.608 175.900 0.023 0.000 0.992 1109 Y CA -0.626 57.486 58.100 0.019 0.000 1.151 1109 Y CB 2.118 40.586 38.460 0.012 0.000 1.150 1109 Y HN -0.275 nan 8.280 nan 0.000 0.450 1110 S N 1.706 117.484 115.700 0.129 0.000 2.578 1110 S HA 0.557 5.026 4.470 -0.002 0.000 0.301 1110 S C -0.972 173.661 174.600 0.056 0.000 1.091 1110 S CA -0.808 57.444 58.200 0.088 0.000 1.032 1110 S CB 2.046 65.289 63.200 0.071 0.000 1.064 1110 S HN 0.436 nan 8.310 nan 0.000 0.508 1111 V N 4.842 124.776 119.914 0.032 0.000 2.271 1111 V HA 0.442 4.560 4.120 -0.002 0.000 0.259 1111 V C -0.583 175.496 176.094 -0.025 0.000 1.030 1111 V CA -0.624 61.678 62.300 0.003 0.000 0.957 1111 V CB -0.891 30.942 31.823 0.017 0.000 1.186 1111 V HN 0.723 nan 8.190 nan 0.000 0.471 1112 I N 1.774 122.302 120.570 -0.071 0.000 2.577 1112 I HA 0.651 4.820 4.170 -0.002 0.000 0.300 1112 I C 0.156 176.166 176.117 -0.178 0.000 0.990 1112 I CA -0.140 61.080 61.300 -0.134 0.000 1.283 1112 I CB 1.659 39.512 38.000 -0.246 0.000 1.411 1112 I HN 0.208 nan 8.210 nan 0.000 0.515 1113 T N 4.741 119.197 114.554 -0.163 0.000 2.758 1113 T HA 0.420 4.769 4.350 -0.002 0.000 0.285 1113 T C -2.450 172.118 174.700 -0.219 0.000 0.981 1113 T CA -1.017 61.005 62.100 -0.130 0.000 0.965 1113 T CB 1.220 70.057 68.868 -0.052 0.000 0.927 1113 T HN 0.470 nan 8.240 nan 0.000 0.448 1114 P HA 0.454 nan 4.420 nan 0.000 0.276 1114 P C -0.779 176.541 177.300 0.034 0.000 1.253 1114 P CA -0.416 62.575 63.100 -0.182 0.000 0.766 1114 P CB 0.502 31.996 31.700 -0.344 0.000 0.845 1115 M N 1.791 121.421 119.600 0.050 0.000 2.464 1115 M HA 0.225 4.704 4.480 -0.002 0.000 0.308 1115 M C 1.269 177.504 176.300 -0.108 0.000 1.127 1115 M CA -0.290 55.006 55.300 -0.007 0.000 0.913 1115 M CB 1.662 34.251 32.600 -0.018 0.000 1.689 1115 M HN 0.335 nan 8.290 nan 0.000 0.445 1116 T N -1.355 113.120 114.554 -0.131 0.000 2.822 1116 T HA -0.150 4.198 4.350 -0.002 0.000 0.270 1116 T C 0.764 175.371 174.700 -0.155 0.000 1.064 1116 T CA 1.608 63.604 62.100 -0.173 0.000 1.131 1116 T CB -0.458 68.356 68.868 -0.090 0.000 0.858 1116 T HN 0.646 nan 8.240 nan 0.000 0.483 1117 H N -0.210 118.731 119.070 -0.216 0.000 2.467 1117 H HA 0.787 5.342 4.556 -0.002 0.000 0.275 1117 H C 1.193 176.498 175.328 -0.039 0.000 1.131 1117 H CA -0.634 55.416 56.048 0.003 0.000 0.989 1117 H CB 0.210 30.136 29.762 0.273 0.000 1.696 1117 H HN 0.509 nan 8.280 nan 0.000 0.574 1118 A N -0.675 121.936 122.820 -0.349 0.000 1.817 1118 A HA 0.167 4.486 4.320 -0.002 0.000 0.204 1118 A C 0.023 177.081 177.584 -0.876 0.000 1.741 1118 A CA 0.077 51.864 52.037 -0.417 0.000 1.196 1118 A CB 0.820 19.615 19.000 -0.342 0.000 1.211 1118 A HN 0.249 nan 8.150 nan 0.000 0.450 1119 H N -1.012 117.613 119.070 -0.741 0.000 2.589 1119 H HA 0.591 5.146 4.556 -0.002 0.000 0.351 1119 H C -1.915 172.859 175.328 -0.924 0.000 1.074 1119 H CA -0.450 55.198 56.048 -0.666 0.000 1.203 1119 H CB 1.277 30.807 29.762 -0.387 0.000 1.558 1119 H HN 0.267 nan 8.280 nan 0.000 0.522 1120 F N 1.363 121.086 119.950 -0.378 0.000 2.547 1120 F HA 0.252 4.778 4.527 -0.002 0.000 0.316 1120 F C 0.483 176.252 175.800 -0.053 0.000 1.121 1120 F CA -1.094 56.716 58.000 -0.315 0.000 0.911 1120 F CB 1.486 40.042 39.000 -0.739 0.000 1.179 1120 F HN 0.103 nan 8.300 nan 0.000 0.443 1121 K N 3.045 123.637 120.400 0.320 0.000 2.448 1121 K HA 0.324 4.642 4.320 -0.002 0.000 0.278 1121 K C -0.461 176.322 176.600 0.305 0.000 1.009 1121 K CA 0.198 56.645 56.287 0.266 0.000 0.995 1121 K CB 0.766 33.334 32.500 0.114 0.000 0.917 1121 K HN 0.638 nan 8.250 nan 0.000 0.481 1122 I N 4.080 124.760 120.570 0.183 0.000 2.354 1122 I HA 0.074 4.243 4.170 -0.002 0.000 0.286 1122 I C 0.810 176.990 176.117 0.106 0.000 1.007 1122 I CA -0.177 61.176 61.300 0.090 0.000 1.167 1122 I CB 1.402 39.309 38.000 -0.156 0.000 1.320 1122 I HN 0.489 nan 8.210 nan 0.000 0.458 1123 Q N 2.672 122.580 119.800 0.181 0.000 2.378 1123 Q HA 0.148 4.487 4.340 -0.002 0.000 0.216 1123 Q C -0.423 175.538 176.000 -0.064 0.000 0.892 1123 Q CA 0.589 56.431 55.803 0.065 0.000 0.931 1123 Q CB 0.453 29.238 28.738 0.077 0.000 1.086 1123 Q HN 0.568 nan 8.270 nan 0.000 0.528 1124 H N -0.481 118.674 119.070 0.143 0.000 2.725 1124 H HA 0.347 4.902 4.556 -0.002 0.000 0.283 1124 H C -0.560 174.882 175.328 0.190 0.000 1.110 1124 H CA -0.266 55.875 56.048 0.154 0.000 1.289 1124 H CB 1.033 30.896 29.762 0.169 0.000 1.400 1124 H HN -0.096 nan 8.280 nan 0.000 0.493 1125 T N 1.311 115.959 114.554 0.158 0.000 3.308 1125 T HA -0.009 4.340 4.350 -0.002 0.000 0.270 1125 T C 0.888 175.638 174.700 0.084 0.000 0.992 1125 T CA -0.370 61.810 62.100 0.133 0.000 0.931 1125 T CB -0.048 68.869 68.868 0.082 0.000 1.142 1125 T HN 0.719 nan 8.240 nan 0.000 0.525 1126 D N 0.014 120.469 120.400 0.093 0.000 2.339 1126 D HA 0.119 4.758 4.640 -0.002 0.000 0.217 1126 D C 0.479 176.788 176.300 0.016 0.000 1.050 1126 D CA -0.001 54.029 54.000 0.050 0.000 0.856 1126 D CB 0.689 41.528 40.800 0.065 0.000 0.922 1126 D HN 0.274 nan 8.370 nan 0.000 0.518 1127 V N 0.672 120.590 119.914 0.006 0.000 3.120 1127 V HA 0.306 4.425 4.120 -0.002 0.000 0.303 1127 V C -2.590 173.394 176.094 -0.184 0.000 1.238 1127 V CA -1.840 60.401 62.300 -0.098 0.000 1.008 1127 V CB 2.320 34.100 31.823 -0.071 0.000 1.064 1127 V HN -0.196 nan 8.190 nan 0.000 0.434 1128 P HA 0.058 nan 4.420 nan 0.000 0.260 1128 P C 0.366 177.525 177.300 -0.235 0.000 1.172 1128 P CA 0.121 62.952 63.100 -0.448 0.000 0.760 1128 P CB 0.455 31.673 31.700 -0.802 0.000 0.773 1129 L N 3.630 124.795 121.223 -0.097 0.000 2.362 1129 L HA -0.096 4.242 4.340 -0.002 0.000 0.219 1129 L C 2.177 178.909 176.870 -0.229 0.000 1.134 1129 L CA 1.605 56.474 54.840 0.048 0.000 0.807 1129 L CB -1.166 40.968 42.059 0.125 0.000 0.927 1129 L HN 0.328 nan 8.230 nan 0.000 0.447 1130 S N -1.576 113.716 115.700 -0.681 0.000 2.419 1130 S HA -0.192 4.277 4.470 -0.002 0.000 0.233 1130 S C 1.815 176.398 174.600 -0.028 0.000 1.016 1130 S CA 0.763 58.554 58.200 -0.681 0.000 0.974 1130 S CB -0.294 62.597 63.200 -0.515 0.000 0.786 1130 S HN 0.499 nan 8.310 nan 0.000 0.492 1131 Y N 0.289 120.496 120.300 -0.154 0.000 2.583 1131 Y HA 0.166 4.714 4.550 -0.002 0.000 0.293 1131 Y C 1.001 176.686 175.900 -0.358 0.000 1.157 1131 Y CA -0.479 57.490 58.100 -0.218 0.000 1.315 1131 Y CB -1.006 37.241 38.460 -0.355 0.000 1.021 1131 Y HN 0.438 nan 8.280 nan 0.000 0.536 1132 Y N -0.345 119.898 120.300 -0.094 0.000 2.462 1132 Y HA 0.008 4.557 4.550 -0.002 0.000 0.293 1132 Y C 1.674 177.337 175.900 -0.395 0.000 1.195 1132 Y CA 0.713 58.607 58.100 -0.343 0.000 1.276 1132 Y CB 0.002 38.358 38.460 -0.173 0.000 1.082 1132 Y HN 0.068 nan 8.280 nan 0.000 0.514 1133 T N -3.986 110.550 114.554 -0.030 0.000 3.129 1133 T HA 0.601 4.950 4.350 -0.002 0.000 0.267 1133 T C 0.930 175.626 174.700 -0.006 0.000 1.018 1133 T CA 0.289 62.416 62.100 0.045 0.000 0.903 1133 T CB 0.305 69.278 68.868 0.175 0.000 1.067 1133 T HN 0.285 nan 8.240 nan 0.000 0.549 1134 G N 1.346 110.063 108.800 -0.139 0.000 3.507 1134 G HA2 0.323 4.281 3.960 -0.002 0.000 0.162 1134 G HA3 0.323 4.281 3.960 -0.002 0.000 0.162 1134 G C 0.315 174.994 174.900 -0.369 0.000 1.230 1134 G CA 0.043 45.078 45.100 -0.109 0.000 1.412 1134 G HN 0.191 nan 8.290 nan 0.000 0.723 1135 L N 0.909 121.636 121.223 -0.827 0.000 2.012 1135 L HA 0.249 4.588 4.340 -0.002 0.000 0.210 1135 L C 2.104 178.769 176.870 -0.341 0.000 1.073 1135 L CA 1.991 56.326 54.840 -0.841 0.000 0.748 1135 L CB -0.466 40.680 42.059 -1.522 0.000 0.891 1135 L HN 0.333 nan 8.230 nan 0.000 0.431 1136 L N -0.740 120.228 121.223 -0.425 0.000 2.653 1136 L HA 0.326 4.665 4.340 -0.002 0.000 0.231 1136 L C 1.011 177.734 176.870 -0.246 0.000 1.153 1136 L CA -0.013 54.629 54.840 -0.329 0.000 0.933 1136 L CB -0.516 41.016 42.059 -0.878 0.000 1.175 1136 L HN 0.377 nan 8.230 nan 0.000 0.473 1137 G N -1.290 107.238 108.800 -0.453 0.000 3.212 1137 G HA2 0.194 4.153 3.960 -0.002 0.000 0.188 1137 G HA3 0.194 4.153 3.960 -0.002 0.000 0.188 1137 G C 0.501 174.994 174.900 -0.678 0.000 1.254 1137 G CA -0.407 44.059 45.100 -1.057 0.000 0.957 1137 G HN -0.195 nan 8.290 nan 0.000 0.596 1138 M N 0.257 119.419 119.600 -0.730 0.000 2.132 1138 M HA 0.050 4.529 4.480 -0.002 0.000 0.263 1138 M C -0.639 175.562 176.300 -0.165 0.000 1.065 1138 M CA 1.434 56.554 55.300 -0.299 0.000 1.122 1138 M CB -1.525 30.815 32.600 -0.434 0.000 1.365 1138 M HN 0.128 nan 8.290 nan 0.000 0.411 1139 P HA -0.070 nan 4.420 nan 0.000 0.218 1139 P C 1.318 178.558 177.300 -0.101 0.000 1.148 1139 P CA 1.974 65.040 63.100 -0.055 0.000 0.822 1139 P CB -0.460 31.235 31.700 -0.008 0.000 0.784 1140 G N -1.236 107.450 108.800 -0.190 0.000 2.430 1140 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.216 1140 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.216 1140 G C 1.413 176.024 174.900 -0.482 0.000 1.146 1140 G CA 0.469 45.450 45.100 -0.199 0.000 0.793 1140 G HN 0.161 nan 8.290 nan 0.000 0.537 1141 M N 1.364 120.579 119.600 -0.642 0.000 2.319 1141 M HA 0.085 4.564 4.480 -0.002 0.000 0.265 1141 M C 2.359 178.523 176.300 -0.227 0.000 1.068 1141 M CA 1.315 56.218 55.300 -0.661 0.000 1.118 1141 M CB -0.724 31.718 32.600 -0.263 0.000 1.395 1141 M HN 0.097 nan 8.290 nan 0.000 0.435 1142 T N 0.214 114.728 114.554 -0.067 0.000 2.777 1142 T HA 0.005 4.353 4.350 -0.002 0.000 0.266 1142 T C 1.777 176.557 174.700 0.134 0.000 1.040 1142 T CA 1.454 63.646 62.100 0.153 0.000 1.141 1142 T CB -0.529 68.466 68.868 0.212 0.000 0.868 1142 T HN 0.508 nan 8.240 nan 0.000 0.444 1143 A N -0.023 122.772 122.820 -0.042 0.000 2.016 1143 A HA 0.055 4.373 4.320 -0.002 0.000 0.217 1143 A C 2.016 179.465 177.584 -0.224 0.000 1.162 1143 A CA 0.877 52.789 52.037 -0.207 0.000 0.662 1143 A CB -0.658 18.200 19.000 -0.237 0.000 0.812 1143 A HN 0.563 nan 8.150 nan 0.000 0.450 1144 Y N 0.356 120.479 120.300 -0.294 0.000 2.138 1144 Y HA 0.336 4.885 4.550 -0.002 0.000 0.286 1144 Y C 1.434 177.144 175.900 -0.316 0.000 1.115 1144 Y CA 0.825 58.781 58.100 -0.241 0.000 1.105 1144 Y CB -0.282 38.125 38.460 -0.089 0.000 1.004 1144 Y HN 0.213 nan 8.280 nan 0.000 0.494 1145 A N -0.201 122.415 122.820 -0.339 0.000 2.582 1145 A HA 0.583 4.902 4.320 -0.002 0.000 0.336 1145 A C 0.692 177.674 177.584 -1.004 0.000 1.445 1145 A CA 0.307 51.867 52.037 -0.795 0.000 0.997 1145 A CB -0.760 17.709 19.000 -0.883 0.000 1.148 1145 A HN 0.825 nan 8.150 nan 0.000 0.514 1146 G N 0.289 108.567 108.800 -0.870 0.000 4.203 1146 G HA2 -0.071 3.888 3.960 -0.002 0.000 0.197 1146 G HA3 -0.071 3.888 3.960 -0.002 0.000 0.197 1146 G C 0.808 175.536 174.900 -0.287 0.000 1.112 1146 G CA 0.652 45.198 45.100 -0.924 0.000 0.856 1146 G HN 0.536 nan 8.290 nan 0.000 0.317 1147 F N 1.217 120.967 119.950 -0.333 0.000 2.179 1147 F HA 0.327 4.853 4.527 -0.002 0.000 0.292 1147 F C 2.339 177.921 175.800 -0.364 0.000 1.089 1147 F CA 1.289 59.075 58.000 -0.358 0.000 1.295 1147 F CB 0.016 38.627 39.000 -0.647 0.000 1.041 1147 F HN 0.130 nan 8.300 nan 0.000 0.487 1148 Y N 0.539 120.517 120.300 -0.537 0.000 2.395 1148 Y HA -0.029 4.520 4.550 -0.002 0.000 0.293 1148 Y C 2.394 177.989 175.900 -0.508 0.000 1.123 1148 Y CA 0.870 58.612 58.100 -0.597 0.000 1.227 1148 Y CB -0.658 37.399 38.460 -0.673 0.000 1.012 1148 Y HN 0.128 nan 8.280 nan 0.000 0.552 1149 E N -0.580 119.405 120.200 -0.360 0.000 2.079 1149 E HA -0.026 4.323 4.350 -0.002 0.000 0.191 1149 E C 2.109 178.573 176.600 -0.226 0.000 0.961 1149 E CA 1.548 57.780 56.400 -0.281 0.000 0.823 1149 E CB -0.185 29.311 29.700 -0.340 0.000 0.789 1149 E HN 0.358 nan 8.360 nan 0.000 0.459 1150 V N -2.141 117.590 119.914 -0.306 0.000 3.644 1150 V HA 0.130 4.249 4.120 -0.002 0.000 0.267 1150 V C 1.971 177.962 176.094 -0.171 0.000 1.277 1150 V CA 0.094 62.273 62.300 -0.202 0.000 1.096 1150 V CB -0.235 31.468 31.823 -0.199 0.000 0.828 1150 V HN 0.096 nan 8.190 nan 0.000 0.446 1151 C N 0.449 119.610 119.300 -0.231 0.000 2.539 1151 C HA 0.272 4.731 4.460 -0.002 0.000 0.268 1151 C C 1.621 176.480 174.990 -0.218 0.000 1.395 1151 C CA 0.583 59.487 59.018 -0.189 0.000 1.757 1151 C CB -1.305 26.292 27.740 -0.238 0.000 1.851 1151 C HN 0.713 nan 8.230 nan 0.000 0.545 1152 S N 1.651 117.201 115.700 -0.250 0.000 3.254 1152 S HA -0.145 4.324 4.470 -0.002 0.000 0.327 1152 S C -1.325 173.163 174.600 -0.186 0.000 0.892 1152 S CA 0.509 58.587 58.200 -0.203 0.000 1.357 1152 S CB -0.274 62.852 63.200 -0.123 0.000 1.022 1152 S HN 0.596 nan 8.310 nan 0.000 0.524 1153 P HA 0.020 nan 4.420 nan 0.000 0.216 1153 P C -0.433 176.821 177.300 -0.076 0.000 1.156 1153 P CA 0.442 63.385 63.100 -0.263 0.000 0.855 1153 P CB 0.113 31.529 31.700 -0.473 0.000 0.786 1154 K N 1.129 121.502 120.400 -0.044 0.000 6.744 1154 K HA -0.171 4.148 4.320 -0.002 0.000 0.720 1154 K C -0.308 176.320 176.600 0.046 0.000 2.325 1154 K CA 0.767 57.053 56.287 -0.001 0.000 1.691 1154 K CB -1.334 31.163 32.500 -0.006 0.000 1.863 1154 K HN 0.431 nan 8.250 nan 0.000 0.302 1155 E N 0.418 120.652 120.200 0.058 0.000 2.604 1155 E HA -0.025 4.324 4.350 -0.002 0.000 0.267 1155 E C 1.401 178.050 176.600 0.082 0.000 0.970 1155 E CA 1.469 57.918 56.400 0.080 0.000 0.956 1155 E CB 0.109 29.848 29.700 0.064 0.000 0.939 1155 E HN 0.800 nan 8.360 nan 0.000 0.465 1156 G N 2.598 111.461 108.800 0.105 0.000 2.253 1156 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.251 1156 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.251 1156 G C 0.181 175.161 174.900 0.134 0.000 0.998 1156 G CA 0.298 45.463 45.100 0.109 0.000 0.621 1156 G HN 0.570 nan 8.290 nan 0.000 0.524 1157 E N 1.535 121.819 120.200 0.139 0.000 2.404 1157 E HA 0.418 4.767 4.350 -0.002 0.000 0.261 1157 E C 0.756 177.490 176.600 0.222 0.000 1.074 1157 E CA 0.641 57.133 56.400 0.153 0.000 0.917 1157 E CB 0.433 30.209 29.700 0.127 0.000 0.965 1157 E HN 0.426 nan 8.360 nan 0.000 0.433 1158 T N -1.125 113.569 114.554 0.234 0.000 2.767 1158 T HA 0.429 4.778 4.350 -0.002 0.000 0.288 1158 T C -0.145 174.729 174.700 0.289 0.000 0.963 1158 T CA -0.926 61.393 62.100 0.365 0.000 1.019 1158 T CB 0.735 69.853 68.868 0.418 0.000 0.923 1158 T HN 0.080 nan 8.240 nan 0.000 0.468 1159 V N 4.056 124.205 119.914 0.393 0.000 2.547 1159 V HA 0.509 4.627 4.120 -0.002 0.000 0.299 1159 V C -0.908 175.520 176.094 0.556 0.000 1.040 1159 V CA -1.008 61.513 62.300 0.369 0.000 0.913 1159 V CB 1.412 33.397 31.823 0.269 0.000 0.992 1159 V HN 0.876 nan 8.190 nan 0.000 0.449 1160 Y N 3.320 123.841 120.300 0.368 0.000 2.409 1160 Y HA 0.757 5.306 4.550 -0.002 0.000 0.343 1160 Y C -0.676 175.538 175.900 0.524 0.000 0.973 1160 Y CA -1.634 56.764 58.100 0.496 0.000 1.064 1160 Y CB 2.122 40.791 38.460 0.349 0.000 1.207 1160 Y HN 0.349 nan 8.280 nan 0.000 0.452 1161 V N 5.400 125.416 119.914 0.170 0.000 2.483 1161 V HA 0.484 4.602 4.120 -0.002 0.000 0.297 1161 V C -0.537 175.393 176.094 -0.274 0.000 1.027 1161 V CA -0.809 61.517 62.300 0.043 0.000 0.855 1161 V CB 1.400 33.343 31.823 0.199 0.000 0.995 1161 V HN 0.828 nan 8.190 nan 0.000 0.424 1162 S N 3.102 118.641 115.700 -0.268 0.000 2.608 1162 S HA 0.770 5.239 4.470 -0.002 0.000 0.291 1162 S C 0.628 175.168 174.600 -0.099 0.000 1.146 1162 S CA -0.040 58.029 58.200 -0.219 0.000 1.043 1162 S CB 1.719 64.835 63.200 -0.141 0.000 1.037 1162 S HN 2.442 nan 8.310 nan 0.000 0.520 1163 A N 0.078 122.839 122.820 -0.098 0.000 2.560 1163 A HA -0.071 4.247 4.320 -0.002 0.000 0.299 1163 A C 1.379 178.926 177.584 -0.063 0.000 1.484 1163 A CA 0.688 52.685 52.037 -0.067 0.000 0.749 1163 A CB -2.101 16.858 19.000 -0.068 0.000 1.072 1163 A HN 2.011 nan 8.150 nan 0.000 0.426 1164 A N 0.018 122.782 122.820 -0.094 0.000 2.119 1164 A HA 0.329 4.647 4.320 -0.002 0.000 0.217 1164 A C 1.462 178.906 177.584 -0.232 0.000 1.153 1164 A CA 1.557 53.510 52.037 -0.139 0.000 0.692 1164 A CB -0.334 18.532 19.000 -0.224 0.000 0.799 1164 A HN 2.051 nan 8.150 nan 0.000 0.458 1165 S N -0.862 114.732 115.700 -0.176 0.000 2.078 1165 S HA 0.587 5.055 4.470 -0.002 0.000 0.168 1165 S C -0.033 174.507 174.600 -0.099 0.000 1.542 1165 S CA 0.022 58.139 58.200 -0.138 0.000 1.223 1165 S CB 0.052 63.238 63.200 -0.023 0.000 1.152 1165 S HN 1.232 nan 8.310 nan 0.000 0.452 1166 G N 0.152 108.858 108.800 -0.156 0.000 2.289 1166 G HA2 0.599 4.558 3.960 -0.002 0.000 0.315 1166 G HA3 0.599 4.558 3.960 -0.002 0.000 0.315 1166 G C 0.561 175.400 174.900 -0.101 0.000 1.587 1166 G CA -0.010 45.024 45.100 -0.110 0.000 0.949 1166 G HN 1.071 nan 8.290 nan 0.000 0.626 1167 A N 1.365 124.139 122.820 -0.076 0.000 1.858 1167 A HA -0.303 4.016 4.320 -0.002 0.000 0.282 1167 A C 2.412 179.994 177.584 -0.003 0.000 2.983 1167 A CA 3.548 55.598 52.037 0.021 0.000 0.810 1167 A CB -1.006 18.036 19.000 0.070 0.000 0.802 1167 A HN 1.476 nan 8.150 nan 0.000 0.593 1168 V N -1.547 118.350 119.914 -0.029 0.000 2.426 1168 V HA 0.072 4.191 4.120 -0.002 0.000 0.242 1168 V C 2.777 178.770 176.094 -0.168 0.000 1.036 1168 V CA 1.808 64.079 62.300 -0.047 0.000 1.044 1168 V CB -1.217 30.659 31.823 0.088 0.000 0.688 1168 V HN 0.720 nan 8.190 nan 0.000 0.462 1169 G N 0.616 109.346 108.800 -0.118 0.000 2.418 1169 G HA2 -0.290 3.668 3.960 -0.002 0.000 0.217 1169 G HA3 -0.290 3.668 3.960 -0.002 0.000 0.217 1169 G C 1.444 176.255 174.900 -0.148 0.000 1.158 1169 G CA 1.017 46.038 45.100 -0.132 0.000 0.771 1169 G HN 0.666 nan 8.290 nan 0.000 0.545 1170 Q N -0.470 119.170 119.800 -0.266 0.000 2.369 1170 Q HA 0.172 4.511 4.340 -0.002 0.000 0.206 1170 Q C 2.248 178.021 176.000 -0.378 0.000 0.963 1170 Q CA 0.675 56.189 55.803 -0.482 0.000 0.894 1170 Q CB -0.202 27.816 28.738 -1.201 0.000 0.965 1170 Q HN 0.440 nan 8.270 nan 0.000 0.475 1171 L N -0.024 121.017 121.223 -0.303 0.000 2.202 1171 L HA -0.012 4.327 4.340 -0.002 0.000 0.205 1171 L C 2.193 178.830 176.870 -0.388 0.000 1.083 1171 L CA 0.352 55.033 54.840 -0.265 0.000 0.790 1171 L CB 0.168 42.105 42.059 -0.203 0.000 0.942 1171 L HN 0.043 nan 8.230 nan 0.000 0.452 1172 V N -0.324 119.262 119.914 -0.546 0.000 2.295 1172 V HA -0.226 3.893 4.120 -0.002 0.000 0.246 1172 V C 2.379 177.914 176.094 -0.932 0.000 1.049 1172 V CA 2.022 63.803 62.300 -0.866 0.000 1.024 1172 V CB -1.125 30.069 31.823 -1.048 0.000 0.648 1172 V HN 0.586 nan 8.190 nan 0.000 0.447 1173 G N -1.981 106.367 108.800 -0.752 0.000 2.598 1173 G HA2 -0.162 3.796 3.960 -0.002 0.000 0.215 1173 G HA3 -0.162 3.796 3.960 -0.002 0.000 0.215 1173 G C 1.438 175.848 174.900 -0.815 0.000 1.131 1173 G CA 0.348 44.808 45.100 -1.067 0.000 0.785 1173 G HN 0.542 nan 8.290 nan 0.000 0.539 1174 Q N -1.065 118.429 119.800 -0.509 0.000 2.304 1174 Q HA 0.182 4.520 4.340 -0.002 0.000 0.204 1174 Q C 2.200 178.060 176.000 -0.234 0.000 0.936 1174 Q CA -0.033 55.606 55.803 -0.273 0.000 0.878 1174 Q CB 0.002 28.660 28.738 -0.133 0.000 0.983 1174 Q HN 0.298 nan 8.270 nan 0.000 0.516 1175 L N 0.522 121.554 121.223 -0.318 0.000 2.275 1175 L HA -0.083 4.256 4.340 -0.002 0.000 0.215 1175 L C 2.038 178.757 176.870 -0.252 0.000 1.119 1175 L CA 1.507 56.215 54.840 -0.221 0.000 0.790 1175 L CB -0.738 41.083 42.059 -0.396 0.000 0.919 1175 L HN 0.156 nan 8.230 nan 0.000 0.443 1176 A N -1.542 120.917 122.820 -0.601 0.000 1.903 1176 A HA -0.062 4.257 4.320 -0.002 0.000 0.213 1176 A C 2.192 179.688 177.584 -0.146 0.000 1.185 1176 A CA 0.689 52.469 52.037 -0.429 0.000 0.628 1176 A CB -0.195 18.392 19.000 -0.688 0.000 0.830 1176 A HN 0.117 nan 8.150 nan 0.000 0.446 1177 K N -0.461 119.820 120.400 -0.198 0.000 2.280 1177 K HA 0.038 4.357 4.320 -0.002 0.000 0.202 1177 K C 1.488 178.087 176.600 -0.001 0.000 1.047 1177 K CA 0.991 57.223 56.287 -0.091 0.000 0.942 1177 K CB -0.390 32.039 32.500 -0.118 0.000 0.739 1177 K HN 0.552 nan 8.250 nan 0.000 0.457 1178 M N -0.744 118.870 119.600 0.023 0.000 2.618 1178 M HA 0.092 4.570 4.480 -0.002 0.000 0.240 1178 M C 1.404 177.789 176.300 0.142 0.000 1.123 1178 M CA 0.638 55.994 55.300 0.094 0.000 1.060 1178 M CB 0.205 32.877 32.600 0.121 0.000 1.535 1178 M HN 0.008 nan 8.290 nan 0.000 0.507 1179 M N -1.572 118.113 119.600 0.142 0.000 2.300 1179 M HA 0.248 4.727 4.480 -0.002 0.000 0.313 1179 M C 0.706 177.077 176.300 0.118 0.000 0.988 1179 M CA 0.043 55.436 55.300 0.155 0.000 1.012 1179 M CB 1.112 33.853 32.600 0.236 0.000 1.586 1179 M HN 0.315 nan 8.290 nan 0.000 0.562 1180 G N 1.904 110.761 108.800 0.094 0.000 2.298 1180 G HA2 -0.226 3.732 3.960 -0.002 0.000 0.287 1180 G HA3 -0.226 3.732 3.960 -0.002 0.000 0.287 1180 G C -0.190 174.778 174.900 0.113 0.000 1.075 1180 G CA -0.167 44.985 45.100 0.087 0.000 0.960 1180 G HN 0.484 nan 8.290 nan 0.000 0.502 1181 C N -1.077 118.292 119.300 0.115 0.000 2.403 1181 C HA 0.632 5.091 4.460 -0.002 0.000 0.361 1181 C C 0.645 175.742 174.990 0.179 0.000 1.274 1181 C CA -0.619 58.494 59.018 0.158 0.000 2.433 1181 C CB 1.001 28.839 27.740 0.163 0.000 2.323 1181 C HN 0.559 nan 8.230 nan 0.000 0.614 1182 Y N 1.311 121.689 120.300 0.129 0.000 2.491 1182 Y HA 0.536 5.085 4.550 -0.002 0.000 0.334 1182 Y C -0.400 175.628 175.900 0.213 0.000 0.969 1182 Y CA -0.320 57.868 58.100 0.147 0.000 1.241 1182 Y CB 0.362 38.929 38.460 0.178 0.000 1.105 1182 Y HN 0.441 nan 8.280 nan 0.000 0.503 1183 V N 6.620 126.409 119.914 -0.208 0.000 2.398 1183 V HA 0.527 4.646 4.120 -0.002 0.000 0.286 1183 V C -0.431 175.564 176.094 -0.165 0.000 1.026 1183 V CA -0.945 61.266 62.300 -0.150 0.000 0.868 1183 V CB 1.092 32.648 31.823 -0.444 0.000 0.982 1183 V HN 0.491 nan 8.190 nan 0.000 0.443 1184 V N 3.431 123.414 119.914 0.115 0.000 2.604 1184 V HA 0.848 4.967 4.120 -0.002 0.000 0.305 1184 V C 0.679 177.073 176.094 0.500 0.000 1.043 1184 V CA -0.098 62.304 62.300 0.169 0.000 0.888 1184 V CB 2.004 33.702 31.823 -0.208 0.000 0.995 1184 V HN 1.033 nan 8.190 nan 0.000 0.429 1185 G N 1.711 110.670 108.800 0.264 0.000 2.552 1185 G HA2 0.655 4.614 3.960 -0.002 0.000 0.324 1185 G HA3 0.655 4.614 3.960 -0.002 0.000 0.324 1185 G C -0.813 173.914 174.900 -0.288 0.000 1.217 1185 G CA -0.522 44.551 45.100 -0.045 0.000 0.989 1185 G HN 0.774 nan 8.290 nan 0.000 0.490 1186 S N -1.304 114.227 115.700 -0.281 0.000 2.603 1186 S HA 0.752 5.220 4.470 -0.002 0.000 0.274 1186 S C -0.468 174.089 174.600 -0.072 0.000 1.168 1186 S CA 0.203 58.213 58.200 -0.315 0.000 0.963 1186 S CB 1.011 64.099 63.200 -0.187 0.000 1.078 1186 S HN 1.772 nan 8.310 nan 0.000 0.477 1187 A N 2.898 125.739 122.820 0.034 0.000 2.588 1187 A HA 0.823 5.142 4.320 -0.002 0.000 0.290 1187 A C 0.820 178.471 177.584 0.112 0.000 1.136 1187 A CA -0.235 51.876 52.037 0.123 0.000 0.681 1187 A CB 0.441 19.429 19.000 -0.019 0.000 1.282 1187 A HN 1.181 nan 8.150 nan 0.000 0.421 1188 G N -0.301 108.556 108.800 0.095 0.000 2.453 1188 G HA2 0.335 4.294 3.960 -0.002 0.000 0.215 1188 G HA3 0.335 4.294 3.960 -0.002 0.000 0.215 1188 G C 0.749 175.577 174.900 -0.121 0.000 1.147 1188 G CA 1.447 46.484 45.100 -0.105 0.000 0.802 1188 G HN 1.513 nan 8.290 nan 0.000 0.535 1189 S N -1.565 114.102 115.700 -0.055 0.000 2.751 1189 S HA 0.506 4.975 4.470 -0.002 0.000 0.310 1189 S C 0.746 175.321 174.600 -0.043 0.000 1.128 1189 S CA -0.637 57.534 58.200 -0.048 0.000 0.931 1189 S CB 2.358 65.543 63.200 -0.025 0.000 1.177 1189 S HN 0.005 nan 8.310 nan 0.000 0.530 1190 K N 0.204 120.583 120.400 -0.035 0.000 2.116 1190 K HA -0.054 4.264 4.320 -0.002 0.000 0.203 1190 K C 1.919 178.500 176.600 -0.033 0.000 1.052 1190 K CA 1.314 57.583 56.287 -0.031 0.000 0.952 1190 K CB -0.341 32.144 32.500 -0.025 0.000 0.729 1190 K HN 0.720 nan 8.250 nan 0.000 0.446 1191 E N 1.582 121.764 120.200 -0.031 0.000 2.130 1191 E HA -0.215 4.134 4.350 -0.002 0.000 0.196 1191 E C 1.534 178.113 176.600 -0.034 0.000 0.998 1191 E CA 1.803 58.184 56.400 -0.032 0.000 0.806 1191 E CB 0.068 29.753 29.700 -0.026 0.000 0.738 1191 E HN 0.191 nan 8.360 nan 0.000 0.459 1192 K N -0.681 119.702 120.400 -0.028 0.000 2.116 1192 K HA 0.030 4.349 4.320 -0.002 0.000 0.203 1192 K C 1.979 178.550 176.600 -0.047 0.000 1.052 1192 K CA 1.068 57.342 56.287 -0.023 0.000 0.952 1192 K CB 0.176 32.666 32.500 -0.016 0.000 0.729 1192 K HN 0.057 nan 8.250 nan 0.000 0.446 1193 V N 1.564 121.442 119.914 -0.060 0.000 2.951 1193 V HA -0.125 3.994 4.120 -0.002 0.000 0.255 1193 V C 1.278 177.327 176.094 -0.074 0.000 1.088 1193 V CA 1.394 63.645 62.300 -0.082 0.000 1.109 1193 V CB -0.129 31.661 31.823 -0.055 0.000 0.724 1193 V HN 0.215 nan 8.190 nan 0.000 0.471 1194 D N -0.008 120.356 120.400 -0.060 0.000 2.194 1194 D HA -0.050 4.589 4.640 -0.002 0.000 0.204 1194 D C 1.935 178.184 176.300 -0.084 0.000 0.964 1194 D CA 0.801 54.765 54.000 -0.060 0.000 0.846 1194 D CB 0.147 40.914 40.800 -0.054 0.000 0.962 1194 D HN 0.245 nan 8.370 nan 0.000 0.490 1195 L N 0.439 121.601 121.223 -0.102 0.000 2.141 1195 L HA -0.084 4.255 4.340 -0.002 0.000 0.209 1195 L C 2.179 178.971 176.870 -0.130 0.000 1.094 1195 L CA 0.755 55.481 54.840 -0.189 0.000 0.763 1195 L CB -0.609 41.349 42.059 -0.169 0.000 0.908 1195 L HN 0.027 nan 8.230 nan 0.000 0.437 1196 L N -0.661 120.540 121.223 -0.037 0.000 2.046 1196 L HA -0.189 4.150 4.340 -0.002 0.000 0.208 1196 L C 2.353 179.217 176.870 -0.011 0.000 1.077 1196 L CA 1.733 56.494 54.840 -0.131 0.000 0.747 1196 L CB -0.598 41.208 42.059 -0.422 0.000 0.896 1196 L HN 0.213 nan 8.230 nan 0.000 0.432 1197 K N -2.231 118.151 120.400 -0.030 0.000 2.305 1197 K HA 0.010 4.329 4.320 -0.002 0.000 0.199 1197 K C 1.481 178.086 176.600 0.009 0.000 1.047 1197 K CA 1.012 57.304 56.287 0.009 0.000 0.976 1197 K CB 0.185 32.677 32.500 -0.013 0.000 0.765 1197 K HN 0.320 nan 8.250 nan 0.000 0.474 1198 T N 0.121 114.654 114.554 -0.034 0.000 3.610 1198 T HA 0.046 4.394 4.350 -0.002 0.000 0.209 1198 T C 1.468 176.117 174.700 -0.086 0.000 0.889 1198 T CA -0.059 62.006 62.100 -0.059 0.000 1.469 1198 T CB -0.007 68.809 68.868 -0.087 0.000 1.557 1198 T HN -0.071 nan 8.240 nan 0.000 0.431 1199 K N 0.421 120.688 120.400 -0.222 0.000 2.089 1199 K HA -0.077 4.241 4.320 -0.002 0.000 0.210 1199 K C 1.646 178.095 176.600 -0.253 0.000 1.048 1199 K CA 1.588 57.656 56.287 -0.365 0.000 0.926 1199 K CB -0.280 31.764 32.500 -0.760 0.000 0.714 1199 K HN 0.252 nan 8.250 nan 0.000 0.448 1200 F N -0.392 119.607 119.950 0.083 0.000 2.727 1200 F HA 0.212 4.738 4.527 -0.002 0.000 0.302 1200 F C 1.362 177.304 175.800 0.237 0.000 1.097 1200 F CA 0.242 58.350 58.000 0.180 0.000 1.330 1200 F CB -0.000 39.160 39.000 0.268 0.000 1.084 1200 F HN 0.160 nan 8.300 nan 0.000 0.578 1201 G N 0.772 109.758 108.800 0.311 0.000 2.249 1201 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.273 1201 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.273 1201 G C 0.190 175.198 174.900 0.180 0.000 1.036 1201 G CA -0.258 44.950 45.100 0.178 0.000 0.824 1201 G HN 0.310 nan 8.290 nan 0.000 0.504 1202 F N -0.085 119.866 119.950 0.001 0.000 2.418 1202 F HA 0.325 4.851 4.527 -0.002 0.000 0.341 1202 F C 1.614 177.361 175.800 -0.088 0.000 1.120 1202 F CA -0.322 57.641 58.000 -0.061 0.000 1.232 1202 F CB 0.682 39.648 39.000 -0.058 0.000 1.175 1202 F HN 0.042 nan 8.300 nan 0.000 0.569 1203 D N -0.196 120.201 120.400 -0.005 0.000 2.178 1203 D HA -0.102 4.537 4.640 -0.002 0.000 0.202 1203 D C 0.103 176.368 176.300 -0.057 0.000 0.974 1203 D CA 1.476 55.422 54.000 -0.090 0.000 0.841 1203 D CB 0.151 40.749 40.800 -0.337 0.000 0.953 1203 D HN 0.345 nan 8.370 nan 0.000 0.478 1204 D N -1.748 118.604 120.400 -0.081 0.000 2.643 1204 D HA 0.689 5.328 4.640 -0.002 0.000 0.283 1204 D C -1.669 174.629 176.300 -0.003 0.000 1.242 1204 D CA -0.739 53.248 54.000 -0.022 0.000 0.863 1204 D CB 1.771 42.558 40.800 -0.022 0.000 1.382 1204 D HN -0.023 nan 8.370 nan 0.000 0.444 1205 A N 0.074 122.909 122.820 0.024 0.000 2.583 1205 A HA 0.629 4.948 4.320 -0.002 0.000 0.292 1205 A C -1.771 175.868 177.584 0.093 0.000 1.045 1205 A CA -0.727 51.292 52.037 -0.030 0.000 0.672 1205 A CB 0.517 19.428 19.000 -0.149 0.000 1.283 1205 A HN 0.546 nan 8.150 nan 0.000 0.419 1206 F N -0.398 119.567 119.950 0.024 0.000 2.706 1206 F HA 0.778 5.303 4.527 -0.002 0.000 0.328 1206 F C -0.405 175.422 175.800 0.045 0.000 1.123 1206 F CA -1.062 56.954 58.000 0.027 0.000 0.978 1206 F CB 1.585 40.606 39.000 0.035 0.000 1.404 1206 F HN 0.584 nan 8.300 nan 0.000 0.497 1207 N N 0.102 118.965 118.700 0.272 0.000 2.479 1207 N HA 0.189 4.927 4.740 -0.002 0.000 0.261 1207 N C 0.173 175.791 175.510 0.180 0.000 0.979 1207 N CA -0.782 52.320 53.050 0.087 0.000 0.930 1207 N CB 0.958 39.441 38.487 -0.007 0.000 1.172 1207 N HN 0.845 nan 8.380 nan 0.000 0.499 1208 Y N 3.196 123.671 120.300 0.292 0.000 2.333 1208 Y HA -0.034 4.515 4.550 -0.002 0.000 0.290 1208 Y C 2.047 178.062 175.900 0.191 0.000 1.144 1208 Y CA 0.893 59.193 58.100 0.332 0.000 1.228 1208 Y CB -0.099 38.531 38.460 0.282 0.000 0.985 1208 Y HN 0.408 nan 8.280 nan 0.000 0.542 1209 K N 0.548 120.649 120.400 -0.499 0.000 2.103 1209 K HA -0.152 4.167 4.320 -0.002 0.000 0.204 1209 K C 1.075 177.608 176.600 -0.111 0.000 1.052 1209 K CA 1.512 57.591 56.287 -0.346 0.000 0.945 1209 K CB -0.009 32.167 32.500 -0.539 0.000 0.722 1209 K HN 0.278 nan 8.250 nan 0.000 0.443 1210 E N 0.718 120.865 120.200 -0.087 0.000 2.437 1210 E HA 0.059 4.407 4.350 -0.002 0.000 0.189 1210 E C -0.913 175.690 176.600 0.005 0.000 1.054 1210 E CA 0.115 56.498 56.400 -0.029 0.000 0.874 1210 E CB 0.473 30.157 29.700 -0.028 0.000 1.011 1210 E HN 0.095 nan 8.360 nan 0.000 0.474 1211 E N -0.566 119.653 120.200 0.031 0.000 2.185 1211 E HA 0.137 4.485 4.350 -0.002 0.000 0.261 1211 E C 0.032 176.653 176.600 0.035 0.000 0.879 1211 E CA -0.210 56.205 56.400 0.026 0.000 0.756 1211 E CB 1.833 31.552 29.700 0.032 0.000 1.152 1211 E HN -0.025 nan 8.360 nan 0.000 0.416 1212 S N 2.512 118.215 115.700 0.005 0.000 2.336 1212 S HA -0.136 4.332 4.470 -0.002 0.000 0.214 1212 S C 0.555 175.159 174.600 0.007 0.000 1.032 1212 S CA 1.066 59.271 58.200 0.007 0.000 1.001 1212 S CB 0.098 63.294 63.200 -0.006 0.000 0.953 1212 S HN 0.468 nan 8.310 nan 0.000 0.430 1213 D N 1.009 121.399 120.400 -0.017 0.000 2.428 1213 D HA 0.262 4.901 4.640 -0.002 0.000 0.221 1213 D C 1.481 177.755 176.300 -0.043 0.000 1.123 1213 D CA -0.298 53.688 54.000 -0.024 0.000 0.869 1213 D CB 0.602 41.381 40.800 -0.035 0.000 1.032 1213 D HN 0.343 nan 8.370 nan 0.000 0.506 1214 L N 1.860 123.082 121.223 -0.002 0.000 2.010 1214 L HA -0.225 4.114 4.340 -0.002 0.000 0.219 1214 L C 1.961 178.818 176.870 -0.022 0.000 1.077 1214 L CA 1.519 56.376 54.840 0.029 0.000 0.773 1214 L CB -1.533 40.566 42.059 0.067 0.000 0.892 1214 L HN 0.222 nan 8.230 nan 0.000 0.436 1215 T N 0.163 114.698 114.554 -0.031 0.000 2.746 1215 T HA -0.080 4.268 4.350 -0.002 0.000 0.267 1215 T C 2.074 176.722 174.700 -0.086 0.000 1.039 1215 T CA 1.572 63.645 62.100 -0.046 0.000 1.142 1215 T CB -0.394 68.458 68.868 -0.026 0.000 0.866 1215 T HN 0.532 nan 8.240 nan 0.000 0.444 1216 A N 1.025 123.786 122.820 -0.099 0.000 2.067 1216 A HA 0.245 4.564 4.320 -0.002 0.000 0.219 1216 A C 2.508 179.980 177.584 -0.186 0.000 1.158 1216 A CA 1.583 53.553 52.037 -0.112 0.000 0.661 1216 A CB -0.774 18.172 19.000 -0.091 0.000 0.801 1216 A HN 0.500 nan 8.150 nan 0.000 0.452 1217 A N -0.285 122.339 122.820 -0.327 0.000 1.873 1217 A HA 0.057 4.376 4.320 -0.002 0.000 0.215 1217 A C 1.899 179.148 177.584 -0.558 0.000 1.186 1217 A CA 1.483 53.129 52.037 -0.651 0.000 0.616 1217 A CB -0.492 17.794 19.000 -1.190 0.000 0.823 1217 A HN 0.412 nan 8.150 nan 0.000 0.442 1218 L N -0.851 120.168 121.223 -0.339 0.000 2.376 1218 L HA 0.031 4.370 4.340 -0.002 0.000 0.219 1218 L C 2.241 179.186 176.870 0.126 0.000 1.133 1218 L CA 1.467 56.292 54.840 -0.025 0.000 0.816 1218 L CB -0.242 41.792 42.059 -0.042 0.000 0.933 1218 L HN 0.266 nan 8.230 nan 0.000 0.449 1219 K N -0.759 119.643 120.400 0.004 0.000 2.137 1219 K HA -0.038 4.281 4.320 -0.002 0.000 0.202 1219 K C 2.231 178.843 176.600 0.021 0.000 1.052 1219 K CA 0.600 56.904 56.287 0.029 0.000 0.961 1219 K CB 0.141 32.633 32.500 -0.013 0.000 0.741 1219 K HN -0.084 nan 8.250 nan 0.000 0.452 1220 R N -0.081 120.395 120.500 -0.040 0.000 2.062 1220 R HA -0.045 4.294 4.340 -0.002 0.000 0.231 1220 R C 2.255 178.540 176.300 -0.026 0.000 1.136 1220 R CA 1.574 57.648 56.100 -0.042 0.000 0.948 1220 R CB -0.970 29.280 30.300 -0.083 0.000 0.845 1220 R HN 0.253 nan 8.270 nan 0.000 0.430 1221 C N -0.814 118.448 119.300 -0.064 0.000 2.432 1221 C HA -0.019 4.440 4.460 -0.002 0.000 0.277 1221 C C 0.619 175.507 174.990 -0.170 0.000 1.249 1221 C CA 0.311 59.243 59.018 -0.143 0.000 1.725 1221 C CB -0.719 26.838 27.740 -0.304 0.000 2.028 1221 C HN 0.213 nan 8.230 nan 0.000 0.477 1222 F N 0.722 120.754 119.950 0.136 0.000 2.359 1222 F HA 0.340 4.866 4.527 -0.002 0.000 0.370 1222 F C -1.767 174.039 175.800 0.010 0.000 1.077 1222 F CA -1.881 56.178 58.000 0.098 0.000 1.136 1222 F CB 0.300 39.362 39.000 0.103 0.000 1.387 1222 F HN 0.014 nan 8.300 nan 0.000 0.468 1223 P HA -0.080 nan 4.420 nan 0.000 0.219 1223 P C 0.967 178.300 177.300 0.055 0.000 1.150 1223 P CA 1.119 64.254 63.100 0.058 0.000 0.814 1223 P CB 0.321 32.025 31.700 0.007 0.000 0.787 1224 N N -1.021 117.718 118.700 0.064 0.000 2.353 1224 N HA 0.149 4.888 4.740 -0.002 0.000 0.185 1224 N C 1.009 176.552 175.510 0.056 0.000 1.098 1224 N CA 0.999 54.078 53.050 0.047 0.000 0.872 1224 N CB 0.094 38.594 38.487 0.022 0.000 0.970 1224 N HN 0.084 nan 8.380 nan 0.000 0.467 1225 G N 0.961 109.815 108.800 0.090 0.000 2.756 1225 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.678 1225 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.678 1225 G C -0.608 174.199 174.900 -0.155 0.000 1.349 1225 G CA -0.647 44.447 45.100 -0.010 0.000 0.847 1225 G HN 0.143 nan 8.290 nan 0.000 0.548 1226 I N 0.457 120.820 120.570 -0.344 0.000 2.385 1226 I HA 0.390 4.558 4.170 -0.002 0.000 0.294 1226 I C 0.481 176.510 176.117 -0.146 0.000 0.988 1226 I CA -0.939 60.085 61.300 -0.460 0.000 1.265 1226 I CB 1.456 39.083 38.000 -0.622 0.000 1.388 1226 I HN 0.545 nan 8.210 nan 0.000 0.480 1227 D N 4.438 124.811 120.400 -0.045 0.000 2.468 1227 D HA 0.247 4.886 4.640 -0.002 0.000 0.243 1227 D C 0.543 176.889 176.300 0.077 0.000 0.994 1227 D CA 1.060 55.081 54.000 0.035 0.000 0.932 1227 D CB 0.541 41.381 40.800 0.068 0.000 1.078 1227 D HN 0.314 nan 8.370 nan 0.000 0.473 1228 I N 0.257 120.907 120.570 0.132 0.000 2.488 1228 I HA 0.150 4.319 4.170 -0.002 0.000 0.299 1228 I C -0.871 175.429 176.117 0.305 0.000 0.984 1228 I CA -0.611 60.809 61.300 0.201 0.000 1.250 1228 I CB 1.309 39.458 38.000 0.248 0.000 1.389 1228 I HN -0.067 nan 8.210 nan 0.000 0.488 1229 Y N 6.185 126.579 120.300 0.155 0.000 2.361 1229 Y HA 0.417 4.966 4.550 -0.002 0.000 0.328 1229 Y C -1.709 174.286 175.900 0.158 0.000 1.044 1229 Y CA -1.781 56.418 58.100 0.166 0.000 1.085 1229 Y CB 1.256 39.791 38.460 0.126 0.000 1.194 1229 Y HN 0.388 nan 8.280 nan 0.000 0.438 1230 F N 5.864 125.776 119.950 -0.063 0.000 2.350 1230 F HA 0.362 4.888 4.527 -0.002 0.000 0.365 1230 F C -0.047 175.337 175.800 -0.693 0.000 1.122 1230 F CA -0.530 57.325 58.000 -0.242 0.000 1.139 1230 F CB 0.541 39.513 39.000 -0.048 0.000 1.220 1230 F HN 0.571 nan 8.300 nan 0.000 0.499 1231 E N 3.951 123.493 120.200 -1.097 0.000 2.052 1231 E HA 0.188 4.537 4.350 -0.002 0.000 0.283 1231 E C -0.263 175.997 176.600 -0.567 0.000 1.071 1231 E CA 0.193 55.963 56.400 -1.049 0.000 0.851 1231 E CB 0.232 29.415 29.700 -0.861 0.000 1.066 1231 E HN 0.523 nan 8.360 nan 0.000 0.396 1232 N N 3.146 121.635 118.700 -0.352 0.000 2.257 1232 N HA 0.066 4.805 4.740 -0.002 0.000 0.200 1232 N C 0.620 176.008 175.510 -0.203 0.000 1.163 1232 N CA 0.320 53.247 53.050 -0.204 0.000 0.891 1232 N CB 0.720 39.163 38.487 -0.073 0.000 1.067 1232 N HN 0.284 nan 8.380 nan 0.000 0.497 1233 V N -0.142 119.665 119.914 -0.178 0.000 2.502 1233 V HA 0.390 4.509 4.120 -0.002 0.000 0.234 1233 V C 1.232 177.249 176.094 -0.128 0.000 1.072 1233 V CA 1.191 63.395 62.300 -0.161 0.000 1.094 1233 V CB -0.772 30.970 31.823 -0.135 0.000 0.761 1233 V HN 0.403 nan 8.190 nan 0.000 0.489 1234 G N -1.266 107.514 108.800 -0.034 0.000 2.728 1234 G HA2 0.323 4.282 3.960 -0.002 0.000 0.294 1234 G HA3 0.323 4.282 3.960 -0.002 0.000 0.294 1234 G C 0.636 175.547 174.900 0.018 0.000 1.342 1234 G CA -0.257 44.840 45.100 -0.004 0.000 0.866 1234 G HN 1.677 nan 8.290 nan 0.000 0.534 1235 G N -0.022 108.796 108.800 0.031 0.000 2.620 1235 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.315 1235 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.315 1235 G C 1.541 176.484 174.900 0.071 0.000 1.179 1235 G CA 1.791 46.920 45.100 0.049 0.000 0.971 1235 G HN 1.778 nan 8.290 nan 0.000 0.544 1236 K N 0.195 120.633 120.400 0.064 0.000 2.211 1236 K HA 0.055 4.374 4.320 -0.002 0.000 0.204 1236 K C 2.673 179.325 176.600 0.087 0.000 1.047 1236 K CA 1.830 58.158 56.287 0.069 0.000 0.935 1236 K CB -0.249 32.295 32.500 0.074 0.000 0.728 1236 K HN 0.489 nan 8.250 nan 0.000 0.452 1237 M N 0.237 119.898 119.600 0.102 0.000 2.388 1237 M HA -0.071 4.407 4.480 -0.002 0.000 0.265 1237 M C 1.959 178.349 176.300 0.150 0.000 1.088 1237 M CA 0.524 55.913 55.300 0.149 0.000 1.134 1237 M CB -0.158 32.543 32.600 0.169 0.000 1.384 1237 M HN 0.155 nan 8.290 nan 0.000 0.447 1238 L N 0.680 121.996 121.223 0.155 0.000 2.179 1238 L HA -0.067 4.271 4.340 -0.002 0.000 0.208 1238 L C 1.572 178.494 176.870 0.086 0.000 1.096 1238 L CA 1.794 56.732 54.840 0.164 0.000 0.779 1238 L CB -0.662 41.500 42.059 0.171 0.000 0.922 1238 L HN 0.118 nan 8.230 nan 0.000 0.443 1239 D N -0.175 120.269 120.400 0.074 0.000 2.218 1239 D HA -0.111 4.528 4.640 -0.002 0.000 0.204 1239 D C 2.128 178.445 176.300 0.028 0.000 0.976 1239 D CA 1.271 55.303 54.000 0.053 0.000 0.853 1239 D CB 0.115 40.948 40.800 0.054 0.000 0.939 1239 D HN 0.471 nan 8.370 nan 0.000 0.481 1240 A N 0.124 122.962 122.820 0.030 0.000 1.970 1240 A HA -0.051 4.268 4.320 -0.002 0.000 0.216 1240 A C 2.430 179.998 177.584 -0.025 0.000 1.170 1240 A CA 0.701 52.746 52.037 0.013 0.000 0.645 1240 A CB -0.300 18.728 19.000 0.047 0.000 0.816 1240 A HN 0.138 nan 8.150 nan 0.000 0.447 1241 V N -0.111 119.772 119.914 -0.052 0.000 2.488 1241 V HA -0.130 3.989 4.120 -0.002 0.000 0.246 1241 V C 2.411 178.466 176.094 -0.064 0.000 1.046 1241 V CA 1.477 63.702 62.300 -0.126 0.000 1.053 1241 V CB -0.589 31.056 31.823 -0.298 0.000 0.679 1241 V HN 0.541 nan 8.190 nan 0.000 0.458 1242 L N 0.556 121.767 121.223 -0.020 0.000 2.275 1242 L HA -0.095 4.244 4.340 -0.002 0.000 0.215 1242 L C 2.259 179.121 176.870 -0.012 0.000 1.119 1242 L CA 1.125 55.959 54.840 -0.011 0.000 0.790 1242 L CB -0.501 41.556 42.059 -0.004 0.000 0.919 1242 L HN 0.423 nan 8.230 nan 0.000 0.443 1243 V N -4.955 114.954 119.914 -0.008 0.000 3.235 1243 V HA 0.046 4.165 4.120 -0.002 0.000 0.259 1243 V C 1.711 177.800 176.094 -0.007 0.000 1.133 1243 V CA 0.951 63.253 62.300 0.003 0.000 1.128 1243 V CB -0.484 31.344 31.823 0.009 0.000 0.757 1243 V HN 0.400 nan 8.190 nan 0.000 0.469 1244 N N -0.168 118.514 118.700 -0.031 0.000 2.325 1244 N HA 0.276 5.015 4.740 -0.002 0.000 0.182 1244 N C 0.635 176.097 175.510 -0.079 0.000 1.088 1244 N CA 0.155 53.175 53.050 -0.050 0.000 0.879 1244 N CB 0.396 38.839 38.487 -0.073 0.000 0.983 1244 N HN 0.469 nan 8.380 nan 0.000 0.471 1245 M N 1.332 120.892 119.600 -0.066 0.000 2.233 1245 M HA 0.072 4.550 4.480 -0.002 0.000 0.350 1245 M C -0.273 176.009 176.300 -0.031 0.000 1.176 1245 M CA -0.180 55.084 55.300 -0.059 0.000 1.150 1245 M CB 0.605 33.188 32.600 -0.029 0.000 1.530 1245 M HN -0.087 nan 8.290 nan 0.000 0.459 1246 N N 3.499 122.182 118.700 -0.028 0.000 2.483 1246 N HA 0.262 5.001 4.740 -0.002 0.000 0.269 1246 N C -0.448 175.061 175.510 -0.001 0.000 1.209 1246 N CA -0.161 52.886 53.050 -0.005 0.000 0.969 1246 N CB 0.631 39.123 38.487 0.008 0.000 1.173 1246 N HN 0.649 nan 8.380 nan 0.000 0.475 1247 M N 1.739 121.334 119.600 -0.009 0.000 2.260 1247 M HA -0.071 4.408 4.480 -0.002 0.000 0.348 1247 M C 0.382 176.688 176.300 0.010 0.000 1.342 1247 M CA 0.781 56.040 55.300 -0.068 0.000 1.040 1247 M CB -0.504 32.052 32.600 -0.073 0.000 1.810 1247 M HN 0.543 nan 8.290 nan 0.000 0.453 1248 H N -0.696 118.385 119.070 0.020 0.000 2.776 1248 H HA -0.144 4.411 4.556 -0.002 0.000 0.300 1248 H C 0.711 176.047 175.328 0.014 0.000 1.161 1248 H CA 0.845 56.902 56.048 0.015 0.000 1.147 1248 H CB -1.930 27.838 29.762 0.011 0.000 1.366 1248 H HN 0.888 nan 8.280 nan 0.000 0.397 1249 G N 0.607 109.458 108.800 0.084 0.000 2.432 1249 G HA2 0.424 4.383 3.960 -0.002 0.000 0.257 1249 G HA3 0.424 4.383 3.960 -0.002 0.000 0.257 1249 G C 0.268 175.206 174.900 0.063 0.000 1.238 1249 G CA -0.611 44.527 45.100 0.064 0.000 0.838 1249 G HN 0.157 nan 8.290 nan 0.000 0.547 1250 R N 0.097 120.636 120.500 0.066 0.000 2.732 1250 R HA 0.675 5.014 4.340 -0.002 0.000 0.278 1250 R C -0.465 175.889 176.300 0.090 0.000 0.976 1250 R CA -0.605 55.530 56.100 0.058 0.000 0.963 1250 R CB 2.189 32.505 30.300 0.026 0.000 1.150 1250 R HN 0.417 nan 8.270 nan 0.000 0.478 1251 I N 1.179 121.790 120.570 0.069 0.000 2.478 1251 I HA 0.426 4.595 4.170 -0.002 0.000 0.287 1251 I C -0.739 175.366 176.117 -0.021 0.000 1.042 1251 I CA -0.836 60.501 61.300 0.063 0.000 1.067 1251 I CB 2.223 40.287 38.000 0.107 0.000 1.233 1251 I HN 0.641 nan 8.210 nan 0.000 0.431 1252 A N 6.613 129.373 122.820 -0.100 0.000 2.249 1252 A HA 0.634 4.953 4.320 -0.002 0.000 0.314 1252 A C -0.428 176.978 177.584 -0.297 0.000 1.290 1252 A CA -0.409 51.549 52.037 -0.131 0.000 0.893 1252 A CB 0.716 19.617 19.000 -0.165 0.000 1.165 1252 A HN 0.457 nan 8.150 nan 0.000 0.530 1253 V N 3.634 123.458 119.914 -0.151 0.000 2.304 1253 V HA 0.041 4.160 4.120 -0.002 0.000 0.262 1253 V C 1.059 176.918 176.094 -0.391 0.000 1.061 1253 V CA -0.202 61.943 62.300 -0.259 0.000 0.872 1253 V CB 0.075 31.812 31.823 -0.144 0.000 1.077 1253 V HN 1.151 nan 8.190 nan 0.000 0.480 1254 C N 3.835 122.807 119.300 -0.546 0.000 2.544 1254 C HA 0.525 4.984 4.460 -0.002 0.000 0.280 1254 C C 1.256 176.008 174.990 -0.396 0.000 1.295 1254 C CA 0.986 59.589 59.018 -0.692 0.000 1.702 1254 C CB -0.464 26.941 27.740 -0.558 0.000 2.090 1254 C HN 0.882 nan 8.230 nan 0.000 0.493 1255 G N -1.099 107.551 108.800 -0.250 0.000 2.649 1255 G HA2 0.581 4.539 3.960 -0.002 0.000 0.290 1255 G HA3 0.581 4.539 3.960 -0.002 0.000 0.290 1255 G C -1.156 173.650 174.900 -0.156 0.000 1.426 1255 G CA -0.434 44.619 45.100 -0.079 0.000 0.794 1255 G HN 0.199 nan 8.290 nan 0.000 0.483 1256 M N 1.592 121.070 119.600 -0.203 0.000 3.600 1256 M HA 0.174 4.652 4.480 -0.002 0.000 0.397 1256 M C 0.649 176.475 176.300 -0.789 0.000 1.860 1256 M CA -0.185 54.922 55.300 -0.321 0.000 0.514 1256 M CB 0.807 33.342 32.600 -0.108 0.000 1.473 1256 M HN 0.512 nan 8.290 nan 0.000 0.485 1257 I N -1.541 118.532 120.570 -0.828 0.000 2.657 1257 I HA -0.186 3.983 4.170 -0.002 0.000 0.261 1257 I C 2.237 178.080 176.117 -0.457 0.000 1.212 1257 I CA 1.549 62.346 61.300 -0.838 0.000 1.453 1257 I CB -1.030 36.792 38.000 -0.297 0.000 1.092 1257 I HN 0.505 nan 8.210 nan 0.000 0.452 1258 S N 0.169 115.677 115.700 -0.321 0.000 2.423 1258 S HA -0.110 4.359 4.470 -0.002 0.000 0.231 1258 S C 1.858 176.364 174.600 -0.156 0.000 1.014 1258 S CA 0.576 58.675 58.200 -0.167 0.000 0.965 1258 S CB -0.301 62.836 63.200 -0.105 0.000 0.785 1258 S HN 0.495 nan 8.310 nan 0.000 0.495 1259 Q N -0.181 119.504 119.800 -0.192 0.000 2.339 1259 Q HA 0.201 4.540 4.340 -0.002 0.000 0.205 1259 Q C 1.512 177.519 176.000 0.011 0.000 0.925 1259 Q CA 0.651 56.412 55.803 -0.069 0.000 0.898 1259 Q CB -0.590 28.144 28.738 -0.006 0.000 1.013 1259 Q HN 0.620 nan 8.270 nan 0.000 0.504 1260 Y N 1.713 121.909 120.300 -0.174 0.000 2.274 1260 Y HA -0.084 4.464 4.550 -0.002 0.000 0.290 1260 Y C 1.636 177.319 175.900 -0.362 0.000 1.145 1260 Y CA 0.584 58.546 58.100 -0.229 0.000 1.203 1260 Y CB -0.506 37.842 38.460 -0.187 0.000 0.984 1260 Y HN 0.241 nan 8.280 nan 0.000 0.533 1261 N N -0.026 118.476 118.700 -0.330 0.000 2.336 1261 N HA 0.078 4.817 4.740 -0.002 0.000 0.189 1261 N C 0.045 175.288 175.510 -0.445 0.000 1.113 1261 N CA 0.287 52.931 53.050 -0.676 0.000 0.858 1261 N CB 0.603 38.236 38.487 -1.422 0.000 0.970 1261 N HN 0.235 nan 8.380 nan 0.000 0.471 1262 L N 0.397 121.482 121.223 -0.229 0.000 2.325 1262 L HA 0.270 4.608 4.340 -0.002 0.000 0.278 1262 L C 1.262 178.084 176.870 -0.080 0.000 1.023 1262 L CA -0.383 54.393 54.840 -0.107 0.000 0.811 1262 L CB 2.161 44.185 42.059 -0.057 0.000 1.249 1262 L HN -0.216 nan 8.230 nan 0.000 0.431 1263 E N 1.110 121.280 120.200 -0.049 0.000 2.201 1263 E HA 0.024 4.372 4.350 -0.002 0.000 0.193 1263 E C -0.023 176.561 176.600 -0.026 0.000 0.957 1263 E CA 0.452 56.828 56.400 -0.040 0.000 0.858 1263 E CB 0.450 30.134 29.700 -0.026 0.000 0.816 1263 E HN 0.588 nan 8.360 nan 0.000 0.475 1264 N N 1.781 120.474 118.700 -0.012 0.000 2.621 1264 N HA 0.118 4.856 4.740 -0.002 0.000 0.237 1264 N C -0.777 174.734 175.510 0.002 0.000 0.997 1264 N CA -0.318 52.731 53.050 -0.002 0.000 0.918 1264 N CB 1.069 39.561 38.487 0.010 0.000 1.122 1264 N HN -0.068 nan 8.380 nan 0.000 0.510 1265 Q N 1.326 121.123 119.800 -0.005 0.000 2.289 1265 Q HA 0.015 4.354 4.340 -0.002 0.000 0.273 1265 Q C -0.011 175.996 176.000 0.011 0.000 1.029 1265 Q CA 0.483 56.284 55.803 -0.002 0.000 0.896 1265 Q CB 1.467 30.201 28.738 -0.008 0.000 1.182 1265 Q HN 0.603 nan 8.270 nan 0.000 0.385 1266 E N 1.023 121.235 120.200 0.021 0.000 2.373 1266 E HA 0.199 4.548 4.350 -0.002 0.000 0.267 1266 E C -0.118 176.514 176.600 0.052 0.000 1.032 1266 E CA -0.305 56.122 56.400 0.044 0.000 0.889 1266 E CB 0.646 30.373 29.700 0.044 0.000 0.984 1266 E HN 0.681 nan 8.360 nan 0.000 0.425 1267 G N 2.482 111.340 108.800 0.095 0.000 2.358 1267 G HA2 0.315 4.273 3.960 -0.002 0.000 0.273 1267 G HA3 0.315 4.273 3.960 -0.002 0.000 0.273 1267 G C -0.613 174.421 174.900 0.224 0.000 1.215 1267 G CA -0.518 44.645 45.100 0.105 0.000 0.910 1267 G HN 0.363 nan 8.290 nan 0.000 0.467 1268 V N 3.904 123.874 119.914 0.092 0.000 2.311 1268 V HA 0.197 4.316 4.120 -0.002 0.000 0.275 1268 V C 0.451 176.567 176.094 0.036 0.000 1.022 1268 V CA -0.500 61.870 62.300 0.117 0.000 0.830 1268 V CB 0.609 32.463 31.823 0.051 0.000 1.012 1268 V HN 0.856 nan 8.190 nan 0.000 0.452 1269 H N 2.089 121.158 119.070 -0.001 0.000 2.344 1269 H HA 0.100 4.655 4.556 -0.002 0.000 0.307 1269 H C 1.614 176.929 175.328 -0.021 0.000 1.057 1269 H CA 1.159 57.203 56.048 -0.007 0.000 1.373 1269 H CB 0.106 29.870 29.762 0.002 0.000 1.421 1269 H HN 0.439 nan 8.280 nan 0.000 0.532 1270 N N 1.318 120.078 118.700 0.100 0.000 2.523 1270 N HA -0.045 4.694 4.740 -0.002 0.000 0.208 1270 N C 0.725 176.208 175.510 -0.045 0.000 1.313 1270 N CA 0.161 53.223 53.050 0.020 0.000 0.853 1270 N CB -0.001 38.503 38.487 0.029 0.000 1.090 1270 N HN 0.331 nan 8.380 nan 0.000 0.463 1271 L N 0.003 121.192 121.223 -0.057 0.000 2.610 1271 L HA -0.022 4.317 4.340 -0.002 0.000 0.232 1271 L C 1.748 178.520 176.870 -0.163 0.000 1.149 1271 L CA 0.302 55.090 54.840 -0.087 0.000 0.872 1271 L CB 0.027 42.050 42.059 -0.061 0.000 0.992 1271 L HN 0.105 nan 8.230 nan 0.000 0.447 1272 S N -0.626 114.933 115.700 -0.235 0.000 2.387 1272 S HA -0.123 4.345 4.470 -0.002 0.000 0.226 1272 S C 1.522 175.601 174.600 -0.868 0.000 1.026 1272 S CA 1.049 58.992 58.200 -0.429 0.000 0.972 1272 S CB -0.379 62.619 63.200 -0.338 0.000 0.814 1272 S HN 0.577 nan 8.310 nan 0.000 0.477 1273 N N 1.764 120.089 118.700 -0.626 0.000 2.520 1273 N HA -0.006 4.732 4.740 -0.002 0.000 0.185 1273 N C 1.552 176.894 175.510 -0.280 0.000 1.068 1273 N CA 1.001 53.749 53.050 -0.503 0.000 0.911 1273 N CB -0.347 38.035 38.487 -0.175 0.000 0.961 1273 N HN 0.603 nan 8.380 nan 0.000 0.446 1274 I N -2.353 118.080 120.570 -0.229 0.000 3.564 1274 I HA 0.076 4.245 4.170 -0.002 0.000 0.294 1274 I C 1.364 177.437 176.117 -0.075 0.000 1.289 1274 I CA 0.453 61.688 61.300 -0.108 0.000 1.325 1274 I CB -0.019 37.939 38.000 -0.070 0.000 1.039 1274 I HN -0.047 nan 8.210 nan 0.000 0.474 1275 I N 0.338 120.851 120.570 -0.095 0.000 2.385 1275 I HA -0.115 4.053 4.170 -0.002 0.000 0.244 1275 I C 2.340 178.540 176.117 0.138 0.000 1.089 1275 I CA 1.123 62.446 61.300 0.038 0.000 1.410 1275 I CB -0.591 37.470 38.000 0.101 0.000 1.117 1275 I HN 0.104 nan 8.210 nan 0.000 0.429 1276 Y N 1.322 121.603 120.300 -0.032 0.000 2.151 1276 Y HA -0.245 4.304 4.550 -0.002 0.000 0.284 1276 Y C 1.923 177.786 175.900 -0.062 0.000 1.166 1276 Y CA 0.825 58.903 58.100 -0.037 0.000 1.163 1276 Y CB -0.367 38.078 38.460 -0.024 0.000 0.974 1276 Y HN 0.129 nan 8.280 nan 0.000 0.511 1277 K N -0.180 120.271 120.400 0.084 0.000 2.372 1277 K HA 0.123 4.441 4.320 -0.002 0.000 0.200 1277 K C 0.291 176.829 176.600 -0.103 0.000 1.022 1277 K CA -0.198 56.077 56.287 -0.020 0.000 1.125 1277 K CB 0.396 32.893 32.500 -0.006 0.000 0.855 1277 K HN 0.045 nan 8.250 nan 0.000 0.524 1278 R N 1.721 122.163 120.500 -0.098 0.000 3.591 1278 R HA -0.171 4.168 4.340 -0.002 0.000 0.268 1278 R C -0.709 175.576 176.300 -0.024 0.000 1.102 1278 R CA 0.383 56.425 56.100 -0.096 0.000 0.732 1278 R CB -1.756 28.385 30.300 -0.264 0.000 1.117 1278 R HN 0.349 nan 8.270 nan 0.000 0.472 1279 N N 0.995 119.686 118.700 -0.015 0.000 2.444 1279 N HA 0.096 4.835 4.740 -0.002 0.000 0.255 1279 N C 0.218 175.741 175.510 0.021 0.000 1.255 1279 N CA 0.091 53.148 53.050 0.012 0.000 0.933 1279 N CB 0.599 39.089 38.487 0.005 0.000 1.143 1279 N HN 0.130 nan 8.380 nan 0.000 0.453 1280 R N 2.085 122.603 120.500 0.030 0.000 2.412 1280 R HA 0.355 4.693 4.340 -0.002 0.000 0.304 1280 R C -0.992 175.323 176.300 0.025 0.000 1.066 1280 R CA -0.535 55.581 56.100 0.025 0.000 0.923 1280 R CB 0.155 30.471 30.300 0.027 0.000 1.156 1280 R HN 0.541 nan 8.270 nan 0.000 0.513 1281 I N 3.798 124.379 120.570 0.018 0.000 2.337 1281 I HA 0.136 4.305 4.170 -0.002 0.000 0.291 1281 I C 0.194 176.318 176.117 0.012 0.000 1.046 1281 I CA 0.144 61.453 61.300 0.015 0.000 1.324 1281 I CB 1.146 39.151 38.000 0.009 0.000 1.409 1281 I HN 0.227 nan 8.210 nan 0.000 0.494 1282 Q N 5.122 124.932 119.800 0.018 0.000 2.310 1282 Q HA 0.503 4.842 4.340 -0.002 0.000 0.270 1282 Q C -0.441 175.611 176.000 0.087 0.000 1.025 1282 Q CA -0.518 55.312 55.803 0.044 0.000 0.772 1282 Q CB 2.327 31.093 28.738 0.046 0.000 1.253 1282 Q HN 0.774 nan 8.270 nan 0.000 0.450 1283 G N 2.505 111.353 108.800 0.080 0.000 2.412 1283 G HA2 0.717 4.676 3.960 -0.002 0.000 0.318 1283 G HA3 0.717 4.676 3.960 -0.002 0.000 0.318 1283 G C -0.902 174.113 174.900 0.192 0.000 1.146 1283 G CA -0.366 44.776 45.100 0.070 0.000 0.882 1283 G HN 0.507 nan 8.290 nan 0.000 0.501 1284 F N -0.446 119.494 119.950 -0.018 0.000 2.668 1284 F HA 0.770 5.295 4.527 -0.002 0.000 0.309 1284 F C -1.229 174.590 175.800 0.032 0.000 1.117 1284 F CA -1.421 56.606 58.000 0.046 0.000 0.951 1284 F CB 1.488 40.612 39.000 0.207 0.000 1.323 1284 F HN 0.450 nan 8.300 nan 0.000 0.451 1285 V N 1.944 121.871 119.914 0.021 0.000 2.815 1285 V HA 0.283 4.402 4.120 -0.002 0.000 0.314 1285 V C 0.830 177.037 176.094 0.188 0.000 1.064 1285 V CA -0.525 61.745 62.300 -0.050 0.000 0.952 1285 V CB 1.841 33.618 31.823 -0.076 0.000 1.020 1285 V HN 0.905 nan 8.190 nan 0.000 0.439 1286 V N 1.319 121.291 119.914 0.096 0.000 2.407 1286 V HA -0.167 3.952 4.120 -0.002 0.000 0.248 1286 V C 2.216 178.030 176.094 -0.466 0.000 1.055 1286 V CA 2.076 64.383 62.300 0.012 0.000 1.049 1286 V CB -1.045 30.699 31.823 -0.131 0.000 0.662 1286 V HN 0.928 nan 8.190 nan 0.000 0.455 1287 S N 0.925 116.309 115.700 -0.526 0.000 2.407 1287 S HA -0.267 4.201 4.470 -0.002 0.000 0.235 1287 S C 1.611 176.074 174.600 -0.229 0.000 1.036 1287 S CA 1.903 59.837 58.200 -0.443 0.000 1.013 1287 S CB -0.590 62.569 63.200 -0.068 0.000 0.820 1287 S HN 0.712 nan 8.310 nan 0.000 0.476 1288 D N 0.322 120.588 120.400 -0.223 0.000 2.264 1288 D HA -0.034 4.605 4.640 -0.002 0.000 0.208 1288 D C 0.899 176.983 176.300 -0.361 0.000 0.966 1288 D CA 0.891 54.699 54.000 -0.321 0.000 0.864 1288 D CB -0.227 40.240 40.800 -0.556 0.000 0.933 1288 D HN 0.521 nan 8.370 nan 0.000 0.499 1289 F N -1.361 118.504 119.950 -0.141 0.000 2.682 1289 F HA 0.203 4.729 4.527 -0.002 0.000 0.308 1289 F C 1.272 177.090 175.800 0.029 0.000 1.093 1289 F CA -0.497 57.470 58.000 -0.054 0.000 1.244 1289 F CB -0.139 38.842 39.000 -0.032 0.000 1.052 1289 F HN -0.083 nan 8.300 nan 0.000 0.573 1290 Y N 1.405 121.778 120.300 0.121 0.000 2.751 1290 Y HA -0.176 4.373 4.550 -0.002 0.000 0.310 1290 Y C 1.908 177.789 175.900 -0.033 0.000 1.176 1290 Y CA 0.092 58.217 58.100 0.041 0.000 1.360 1290 Y CB -0.279 38.210 38.460 0.049 0.000 0.999 1290 Y HN 0.254 nan 8.280 nan 0.000 0.532 1291 D N 0.060 120.526 120.400 0.110 0.000 2.305 1291 D HA -0.091 4.548 4.640 -0.002 0.000 0.206 1291 D C 0.769 177.218 176.300 0.249 0.000 0.974 1291 D CA 0.620 54.730 54.000 0.182 0.000 0.871 1291 D CB -0.106 40.796 40.800 0.169 0.000 0.947 1291 D HN 0.266 nan 8.370 nan 0.000 0.516 1292 K N -0.516 120.053 120.400 0.281 0.000 2.498 1292 K HA 0.073 4.392 4.320 -0.002 0.000 0.207 1292 K C 0.515 177.283 176.600 0.281 0.000 1.033 1292 K CA -0.421 56.033 56.287 0.278 0.000 1.138 1292 K CB 0.181 32.873 32.500 0.321 0.000 0.860 1292 K HN 0.028 nan 8.250 nan 0.000 0.490 1293 Y N 0.810 121.227 120.300 0.196 0.000 2.420 1293 Y HA -0.052 4.497 4.550 -0.002 0.000 0.292 1293 Y C 1.847 177.855 175.900 0.180 0.000 1.119 1293 Y CA 0.957 59.159 58.100 0.170 0.000 1.229 1293 Y CB 0.253 38.738 38.460 0.042 0.000 1.026 1293 Y HN -0.020 nan 8.280 nan 0.000 0.554 1294 S N 0.276 116.023 115.700 0.078 0.000 2.356 1294 S HA -0.146 4.322 4.470 -0.002 0.000 0.223 1294 S C 1.770 176.340 174.600 -0.050 0.000 1.032 1294 S CA 1.340 59.549 58.200 0.016 0.000 1.005 1294 S CB -0.165 63.109 63.200 0.124 0.000 0.867 1294 S HN 0.314 nan 8.310 nan 0.000 0.449 1295 K N 0.667 121.075 120.400 0.013 0.000 2.439 1295 K HA 0.120 4.438 4.320 -0.002 0.000 0.197 1295 K C 1.536 178.056 176.600 -0.133 0.000 1.041 1295 K CA 0.346 56.638 56.287 0.009 0.000 0.970 1295 K CB -0.365 32.203 32.500 0.114 0.000 0.773 1295 K HN 0.460 nan 8.250 nan 0.000 0.479 1296 F N 1.396 121.039 119.950 -0.510 0.000 2.094 1296 F HA -0.009 4.517 4.527 -0.002 0.000 0.291 1296 F C 1.849 177.376 175.800 -0.454 0.000 1.109 1296 F CA 0.851 58.316 58.000 -0.891 0.000 1.221 1296 F CB -0.486 38.020 39.000 -0.823 0.000 1.014 1296 F HN -0.186 nan 8.300 nan 0.000 0.473 1297 L N 0.480 121.248 121.223 -0.758 0.000 2.081 1297 L HA -0.245 4.093 4.340 -0.002 0.000 0.212 1297 L C 2.312 178.897 176.870 -0.475 0.000 1.080 1297 L CA 1.849 56.237 54.840 -0.754 0.000 0.754 1297 L CB -0.800 40.901 42.059 -0.596 0.000 0.893 1297 L HN 0.261 nan 8.230 nan 0.000 0.433 1298 E N -0.975 119.055 120.200 -0.283 0.000 2.331 1298 E HA -0.247 4.101 4.350 -0.002 0.000 0.199 1298 E C 1.694 178.268 176.600 -0.042 0.000 1.008 1298 E CA 1.267 57.588 56.400 -0.132 0.000 0.843 1298 E CB 0.020 29.691 29.700 -0.049 0.000 0.761 1298 E HN 0.480 nan 8.360 nan 0.000 0.507 1299 F N -0.662 119.153 119.950 -0.225 0.000 2.390 1299 F HA 0.038 4.564 4.527 -0.002 0.000 0.281 1299 F C 1.989 177.738 175.800 -0.086 0.000 1.016 1299 F CA 0.330 58.272 58.000 -0.097 0.000 1.286 1299 F CB -0.421 38.530 39.000 -0.081 0.000 1.134 1299 F HN -0.224 nan 8.300 nan 0.000 0.597 1300 V N 1.024 120.673 119.914 -0.441 0.000 2.358 1300 V HA -0.214 3.904 4.120 -0.002 0.000 0.246 1300 V C 2.239 178.101 176.094 -0.386 0.000 1.047 1300 V CA 2.044 64.025 62.300 -0.532 0.000 1.035 1300 V CB -0.340 31.005 31.823 -0.796 0.000 0.658 1300 V HN 0.435 nan 8.190 nan 0.000 0.452 1301 L N -0.445 120.549 121.223 -0.381 0.000 2.027 1301 L HA -0.073 4.266 4.340 -0.002 0.000 0.206 1301 L C 0.075 176.822 176.870 -0.206 0.000 1.074 1301 L CA 1.644 56.318 54.840 -0.278 0.000 0.745 1301 L CB -1.588 40.285 42.059 -0.311 0.000 0.898 1301 L HN 0.283 nan 8.230 nan 0.000 0.433 1302 P HA -0.225 nan 4.420 nan 0.000 0.219 1302 P C 0.897 178.001 177.300 -0.327 0.000 1.151 1302 P CA 1.668 64.636 63.100 -0.221 0.000 0.850 1302 P CB 0.019 31.597 31.700 -0.203 0.000 0.784 1303 H N -2.636 116.244 119.070 -0.316 0.000 2.465 1303 H HA 0.106 4.661 4.556 -0.002 0.000 0.289 1303 H C 1.847 177.057 175.328 -0.197 0.000 1.022 1303 H CA 0.694 56.566 56.048 -0.293 0.000 1.340 1303 H CB -0.504 28.980 29.762 -0.463 0.000 1.437 1303 H HN 0.095 nan 8.280 nan 0.000 0.539 1304 I N 0.363 120.880 120.570 -0.089 0.000 2.133 1304 I HA -0.204 3.965 4.170 -0.002 0.000 0.238 1304 I C 2.066 178.156 176.117 -0.044 0.000 1.074 1304 I CA 1.191 62.458 61.300 -0.056 0.000 1.342 1304 I CB -0.257 37.711 38.000 -0.053 0.000 1.053 1304 I HN 0.064 nan 8.210 nan 0.000 0.404 1305 R N 0.651 121.112 120.500 -0.066 0.000 2.226 1305 R HA -0.193 4.146 4.340 -0.002 0.000 0.246 1305 R C 1.549 177.810 176.300 -0.065 0.000 1.161 1305 R CA 1.281 57.345 56.100 -0.060 0.000 0.997 1305 R CB -0.326 29.931 30.300 -0.072 0.000 0.870 1305 R HN 0.517 nan 8.270 nan 0.000 0.465 1306 E N -1.173 118.973 120.200 -0.090 0.000 2.498 1306 E HA 0.104 4.453 4.350 -0.002 0.000 0.203 1306 E C 0.448 177.008 176.600 -0.066 0.000 1.013 1306 E CA 0.240 56.585 56.400 -0.093 0.000 0.927 1306 E CB 1.138 30.747 29.700 -0.152 0.000 1.012 1306 E HN 0.448 nan 8.360 nan 0.000 0.482 1307 G N 2.152 110.926 108.800 -0.044 0.000 2.149 1307 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.235 1307 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.235 1307 G C 0.695 175.590 174.900 -0.007 0.000 1.018 1307 G CA 0.626 45.716 45.100 -0.018 0.000 0.728 1307 G HN 0.188 nan 8.290 nan 0.000 0.508 1308 K N -0.922 119.473 120.400 -0.008 0.000 2.348 1308 K HA 0.354 4.673 4.320 -0.002 0.000 0.194 1308 K C 0.812 177.433 176.600 0.035 0.000 1.052 1308 K CA 0.479 56.782 56.287 0.026 0.000 1.004 1308 K CB 0.570 33.109 32.500 0.067 0.000 0.873 1308 K HN 0.409 nan 8.250 nan 0.000 0.523 1309 I N 1.642 122.226 120.570 0.022 0.000 2.465 1309 I HA 0.183 4.351 4.170 -0.002 0.000 0.291 1309 I C -0.016 176.140 176.117 0.065 0.000 1.014 1309 I CA -0.795 60.522 61.300 0.028 0.000 1.093 1309 I CB 1.282 39.261 38.000 -0.035 0.000 1.267 1309 I HN -0.028 nan 8.210 nan 0.000 0.431 1310 T N 2.748 117.389 114.554 0.145 0.000 2.895 1310 T HA 0.721 5.070 4.350 -0.002 0.000 0.283 1310 T C -1.071 173.871 174.700 0.404 0.000 1.014 1310 T CA -0.745 61.488 62.100 0.222 0.000 1.037 1310 T CB 2.195 71.170 68.868 0.179 0.000 1.006 1310 T HN 0.490 nan 8.240 nan 0.000 0.468 1311 Y N 1.980 122.387 120.300 0.179 0.000 2.348 1311 Y HA 0.466 5.015 4.550 -0.002 0.000 0.321 1311 Y C -1.003 174.962 175.900 0.108 0.000 1.163 1311 Y CA -1.253 56.922 58.100 0.124 0.000 1.070 1311 Y CB 1.353 39.670 38.460 -0.239 0.000 1.250 1311 Y HN 0.899 nan 8.280 nan 0.000 0.425 1312 V N 2.492 122.357 119.914 -0.082 0.000 2.617 1312 V HA 0.780 4.899 4.120 -0.002 0.000 0.298 1312 V C -0.663 175.116 176.094 -0.526 0.000 1.048 1312 V CA -0.447 61.738 62.300 -0.191 0.000 0.964 1312 V CB 1.744 33.554 31.823 -0.022 0.000 1.004 1312 V HN 0.823 nan 8.190 nan 0.000 0.466 1313 E N 1.860 121.876 120.200 -0.307 0.000 2.378 1313 E HA 0.496 4.845 4.350 -0.002 0.000 0.265 1313 E C -1.482 175.058 176.600 -0.100 0.000 0.932 1313 E CA -0.778 55.475 56.400 -0.245 0.000 0.795 1313 E CB 2.489 32.130 29.700 -0.098 0.000 1.296 1313 E HN 0.789 nan 8.360 nan 0.000 0.438 1314 D N 1.770 122.135 120.400 -0.059 0.000 2.375 1314 D HA 0.182 4.821 4.640 -0.002 0.000 0.259 1314 D C -1.526 174.777 176.300 0.004 0.000 1.235 1314 D CA -0.285 53.701 54.000 -0.024 0.000 0.924 1314 D CB 1.668 42.452 40.800 -0.028 0.000 1.143 1314 D HN 0.142 nan 8.370 nan 0.000 0.529 1315 V N 2.456 122.381 119.914 0.019 0.000 2.461 1315 V HA 0.684 4.802 4.120 -0.002 0.000 0.275 1315 V C -0.361 175.747 176.094 0.023 0.000 1.047 1315 V CA -0.130 62.196 62.300 0.043 0.000 0.955 1315 V CB 0.949 32.811 31.823 0.065 0.000 0.988 1315 V HN 0.598 nan 8.190 nan 0.000 0.471 1316 A N 4.441 127.271 122.820 0.017 0.000 2.371 1316 A HA 0.587 4.905 4.320 -0.002 0.000 0.311 1316 A C -0.690 176.886 177.584 -0.014 0.000 1.068 1316 A CA -0.736 51.298 52.037 -0.006 0.000 0.744 1316 A CB 1.276 20.263 19.000 -0.022 0.000 1.239 1316 A HN 0.861 nan 8.150 nan 0.000 0.435 1317 D N 1.329 121.717 120.400 -0.020 0.000 2.339 1317 D HA 0.472 5.111 4.640 -0.002 0.000 0.256 1317 D C 0.881 177.151 176.300 -0.050 0.000 1.214 1317 D CA 2.138 56.119 54.000 -0.032 0.000 0.877 1317 D CB 0.367 41.152 40.800 -0.026 0.000 1.111 1317 D HN 1.245 nan 8.370 nan 0.000 0.478 1318 G N 2.178 110.938 108.800 -0.066 0.000 2.814 1318 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.677 1318 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.677 1318 G C 0.863 175.715 174.900 -0.080 0.000 1.429 1318 G CA -0.428 44.628 45.100 -0.073 0.000 0.868 1318 G HN 0.546 nan 8.290 nan 0.000 0.553 1319 L N -0.231 120.958 121.223 -0.056 0.000 2.189 1319 L HA -0.129 4.210 4.340 -0.002 0.000 0.214 1319 L C 2.744 179.717 176.870 0.172 0.000 1.097 1319 L CA 2.115 56.951 54.840 -0.005 0.000 0.764 1319 L CB -0.268 41.851 42.059 0.099 0.000 0.900 1319 L HN 0.774 nan 8.230 nan 0.000 0.436 1320 E N 0.579 120.841 120.200 0.103 0.000 2.204 1320 E HA -0.213 4.136 4.350 -0.002 0.000 0.195 1320 E C 1.764 178.388 176.600 0.041 0.000 0.990 1320 E CA 1.310 57.715 56.400 0.008 0.000 0.821 1320 E CB 0.108 29.714 29.700 -0.157 0.000 0.750 1320 E HN 0.216 nan 8.360 nan 0.000 0.477 1321 K N -1.467 118.933 120.400 -0.000 0.000 2.358 1321 K HA 0.307 4.625 4.320 -0.002 0.000 0.197 1321 K C 1.229 177.793 176.600 -0.060 0.000 1.025 1321 K CA 0.443 56.714 56.287 -0.026 0.000 1.104 1321 K CB 0.615 33.091 32.500 -0.040 0.000 0.855 1321 K HN 0.112 nan 8.250 nan 0.000 0.531 1322 A N 1.554 124.312 122.820 -0.104 0.000 1.935 1322 A HA 0.081 4.400 4.320 -0.002 0.000 0.214 1322 A C -0.944 176.556 177.584 -0.140 0.000 1.178 1322 A CA 0.384 52.262 52.037 -0.266 0.000 0.640 1322 A CB -0.931 17.654 19.000 -0.691 0.000 0.825 1322 A HN 0.074 nan 8.150 nan 0.000 0.447 1323 P HA -0.259 nan 4.420 nan 0.000 0.216 1323 P C 1.214 178.350 177.300 -0.273 0.000 1.167 1323 P CA 1.713 64.463 63.100 -0.583 0.000 0.933 1323 P CB -0.228 31.244 31.700 -0.381 0.000 0.793 1324 E N -0.977 119.169 120.200 -0.090 0.000 2.147 1324 E HA -0.206 4.143 4.350 -0.002 0.000 0.199 1324 E C 1.883 178.490 176.600 0.013 0.000 1.005 1324 E CA 1.598 57.992 56.400 -0.011 0.000 0.810 1324 E CB -0.397 29.300 29.700 -0.004 0.000 0.736 1324 E HN 0.211 nan 8.360 nan 0.000 0.460 1325 A N 0.222 123.039 122.820 -0.006 0.000 2.132 1325 A HA 0.060 4.378 4.320 -0.002 0.000 0.213 1325 A C 1.963 179.585 177.584 0.063 0.000 1.154 1325 A CA 0.154 52.200 52.037 0.015 0.000 0.753 1325 A CB 0.040 19.028 19.000 -0.020 0.000 0.826 1325 A HN 0.158 nan 8.150 nan 0.000 0.469 1326 L N -0.915 120.382 121.223 0.124 0.000 2.408 1326 L HA 0.022 4.360 4.340 -0.002 0.000 0.215 1326 L C 2.148 179.161 176.870 0.237 0.000 1.081 1326 L CA 0.456 55.422 54.840 0.210 0.000 0.840 1326 L CB 0.168 42.480 42.059 0.421 0.000 1.002 1326 L HN 0.232 nan 8.230 nan 0.000 0.468 1327 V N 0.009 120.084 119.914 0.269 0.000 2.270 1327 V HA -0.098 4.020 4.120 -0.002 0.000 0.245 1327 V C 1.450 177.807 176.094 0.437 0.000 1.043 1327 V CA 1.595 64.162 62.300 0.445 0.000 1.014 1327 V CB -0.699 31.313 31.823 0.315 0.000 0.645 1327 V HN 0.493 nan 8.190 nan 0.000 0.447 1328 G N -1.085 107.867 108.800 0.254 0.000 3.058 1328 G HA2 0.467 4.426 3.960 -0.002 0.000 0.316 1328 G HA3 0.467 4.426 3.960 -0.002 0.000 0.316 1328 G C -0.113 174.829 174.900 0.071 0.000 0.951 1328 G CA 0.096 45.327 45.100 0.218 0.000 1.535 1328 G HN 0.282 nan 8.290 nan 0.000 0.500 1329 L N 0.449 121.667 121.223 -0.009 0.000 3.188 1329 L HA 0.416 4.754 4.340 -0.002 0.000 0.327 1329 L C 1.137 177.855 176.870 -0.254 0.000 1.009 1329 L CA 0.430 55.140 54.840 -0.217 0.000 1.373 1329 L CB -0.178 41.609 42.059 -0.454 0.000 2.331 1329 L HN 0.332 nan 8.230 nan 0.000 0.594 1330 F N -0.474 119.565 119.950 0.148 0.000 2.710 1330 F HA 0.150 4.675 4.527 -0.002 0.000 0.298 1330 F C 1.838 177.664 175.800 0.045 0.000 1.137 1330 F CA 0.623 58.680 58.000 0.095 0.000 1.444 1330 F CB 0.180 39.251 39.000 0.119 0.000 1.111 1330 F HN 0.182 nan 8.300 nan 0.000 0.580 1331 H N -1.170 118.108 119.070 0.346 0.000 3.046 1331 H HA 0.288 4.843 4.556 -0.002 0.000 0.262 1331 H C 1.704 177.117 175.328 0.141 0.000 1.044 1331 H CA 0.811 56.992 56.048 0.222 0.000 1.209 1331 H CB 0.813 30.660 29.762 0.142 0.000 1.507 1331 H HN 0.148 nan 8.280 nan 0.000 0.507 1332 G N 2.333 111.253 108.800 0.200 0.000 2.212 1332 G HA2 -0.262 3.696 3.960 -0.002 0.000 0.255 1332 G HA3 -0.262 3.696 3.960 -0.002 0.000 0.255 1332 G C 1.085 176.036 174.900 0.084 0.000 1.062 1332 G CA 0.311 45.480 45.100 0.115 0.000 0.815 1332 G HN 0.227 nan 8.290 nan 0.000 0.497 1333 K N -0.066 120.382 120.400 0.079 0.000 2.486 1333 K HA -0.016 4.303 4.320 -0.002 0.000 0.194 1333 K C 1.299 177.912 176.600 0.021 0.000 1.033 1333 K CA 0.764 57.080 56.287 0.048 0.000 1.004 1333 K CB -0.122 32.408 32.500 0.052 0.000 0.798 1333 K HN 0.906 nan 8.250 nan 0.000 0.495 1334 N N -0.955 117.752 118.700 0.011 0.000 2.488 1334 N HA 0.100 4.839 4.740 -0.002 0.000 0.274 1334 N C -0.806 174.698 175.510 -0.010 0.000 1.111 1334 N CA -0.535 52.510 53.050 -0.008 0.000 0.974 1334 N CB 1.533 40.007 38.487 -0.023 0.000 1.089 1334 N HN -0.349 nan 8.380 nan 0.000 0.465 1335 V N 2.632 122.535 119.914 -0.018 0.000 2.294 1335 V HA 0.633 4.752 4.120 -0.002 0.000 0.272 1335 V C 1.127 177.200 176.094 -0.036 0.000 1.027 1335 V CA 0.345 62.636 62.300 -0.015 0.000 0.823 1335 V CB -0.431 31.384 31.823 -0.014 0.000 1.030 1335 V HN 1.160 nan 8.190 nan 0.000 0.457 1336 G N 4.932 113.705 108.800 -0.045 0.000 2.542 1336 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.235 1336 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.235 1336 G C -0.270 174.553 174.900 -0.129 0.000 1.286 1336 G CA -0.171 44.860 45.100 -0.114 0.000 0.904 1336 G HN 0.803 nan 8.290 nan 0.000 0.577 1337 K N 0.631 120.909 120.400 -0.203 0.000 2.276 1337 K HA 0.574 4.893 4.320 -0.002 0.000 0.283 1337 K C 0.237 176.806 176.600 -0.052 0.000 1.044 1337 K CA -0.228 56.004 56.287 -0.092 0.000 0.944 1337 K CB 1.203 33.696 32.500 -0.013 0.000 1.012 1337 K HN 0.658 nan 8.250 nan 0.000 0.472 1338 Q N 3.334 123.130 119.800 -0.006 0.000 2.361 1338 Q HA 0.288 4.627 4.340 -0.002 0.000 0.250 1338 Q C -1.240 174.794 176.000 0.057 0.000 1.023 1338 Q CA -0.342 55.471 55.803 0.015 0.000 0.915 1338 Q CB 0.507 29.249 28.738 0.007 0.000 1.238 1338 Q HN 0.387 nan 8.270 nan 0.000 0.451 1339 V N 4.075 124.024 119.914 0.058 0.000 2.532 1339 V HA 0.626 4.745 4.120 -0.002 0.000 0.295 1339 V C -0.661 175.472 176.094 0.065 0.000 1.041 1339 V CA -0.921 61.437 62.300 0.097 0.000 0.926 1339 V CB 1.769 33.672 31.823 0.133 0.000 0.992 1339 V HN 0.521 nan 8.190 nan 0.000 0.457 1340 V N 5.421 125.363 119.914 0.047 0.000 2.482 1340 V HA 0.575 4.694 4.120 -0.002 0.000 0.295 1340 V C -0.658 175.431 176.094 -0.008 0.000 1.026 1340 V CA -0.549 61.733 62.300 -0.029 0.000 0.856 1340 V CB 2.009 33.732 31.823 -0.167 0.000 1.001 1340 V HN 0.783 nan 8.190 nan 0.000 0.424 1341 V N 8.183 128.101 119.914 0.006 0.000 2.353 1341 V HA 0.314 4.433 4.120 -0.002 0.000 0.264 1341 V C 0.849 176.850 176.094 -0.156 0.000 1.049 1341 V CA 0.604 62.863 62.300 -0.068 0.000 0.896 1341 V CB 1.375 33.221 31.823 0.038 0.000 1.025 1341 V HN 0.831 nan 8.190 nan 0.000 0.475 1342 V N 6.508 126.294 119.914 -0.214 0.000 2.379 1342 V HA 0.257 4.376 4.120 -0.002 0.000 0.245 1342 V C 1.060 177.042 176.094 -0.186 0.000 1.044 1342 V CA 1.654 63.844 62.300 -0.183 0.000 1.036 1342 V CB -0.454 31.260 31.823 -0.182 0.000 0.664 1342 V HN 1.038 nan 8.190 nan 0.000 0.453 1343 A N -1.146 121.511 122.820 -0.271 0.000 2.594 1343 A HA 0.764 5.082 4.320 -0.002 0.000 0.295 1343 A C -0.398 176.963 177.584 -0.372 0.000 1.071 1343 A CA -0.660 51.227 52.037 -0.250 0.000 0.685 1343 A CB 1.811 20.680 19.000 -0.219 0.000 1.285 1343 A HN 0.152 nan 8.150 nan 0.000 0.405 1344 R N -0.174 120.186 120.500 -0.235 0.000 2.936 1344 R HA 0.624 4.963 4.340 -0.002 0.000 0.218 1344 R C -0.284 175.967 176.300 -0.082 0.000 1.528 1344 R CA -0.592 55.398 56.100 -0.183 0.000 1.005 1344 R CB 0.528 30.803 30.300 -0.042 0.000 2.099 1344 R HN 0.788 nan 8.270 nan 0.000 0.527 1345 E N 0.000 120.210 120.200 0.017 0.000 2.725 1345 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 1345 E CA 0.000 56.419 56.400 0.031 0.000 0.976 1345 E CB 0.000 29.747 29.700 0.079 0.000 0.812 1345 E HN 0.000 nan 8.360 nan 0.000 0.440