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 1sq5_1_D DATA FIRST_RESID 4009 DATA SEQUENCE MTPYLQFDRN QWAALRDXXX MTLSEDEIAR LKGINEDLSL EEVAEIYLPL DATA SEQUENCE SRLLNFYISS NLRRQAVLEQ FLGTNGQRIP YIISIAGSVA VGKSTTARVL DATA SEQUENCE QALLSRWPEH RRVELITTDG FLHPNQVLKE RGLMKKKGFP ESYDMHRLVK DATA SEQUENCE FVSDLKSGVP NVTAPVYSHL IYDVIPDGDK TVVXPDILIL EGLNVLQSGM DATA SEQUENCE DYPHDPHHVF VSDFVDFSIY VDAPEDLLQT WYINRFLKFR EGAFTDPDSY DATA SEQUENCE FHNYAKLTKE EAIKTAMTLW KEINWLNLKQ NILPTRERAS LILTKSANHA DATA SEQUENCE VEEVRLRK 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 4009 M HA 0.000 nan 4.480 nan 0.000 0.227 4009 M C 0.000 176.312 176.300 0.019 0.000 1.140 4009 M CA 0.000 55.306 55.300 0.009 0.000 0.988 4009 M CB 0.000 32.602 32.600 0.004 0.000 1.302 4010 T N -0.968 113.607 114.554 0.035 0.000 2.926 4010 T HA 0.703 5.053 4.350 0.000 0.000 0.289 4010 T C -2.486 172.240 174.700 0.043 0.000 1.054 4010 T CA -1.624 60.515 62.100 0.065 0.000 1.015 4010 T CB 1.805 70.747 68.868 0.123 0.000 1.167 4010 T HN 0.425 nan 8.240 nan 0.000 0.526 4011 P HA 0.233 nan 4.420 nan 0.000 0.249 4011 P C -1.061 176.064 177.300 -0.292 0.000 1.241 4011 P CA 0.393 63.394 63.100 -0.165 0.000 0.781 4011 P CB -0.286 31.251 31.700 -0.272 0.000 1.088 4012 Y N -1.014 119.293 120.300 0.011 0.000 2.446 4012 Y HA 0.372 4.922 4.550 0.000 0.000 0.345 4012 Y C 0.535 176.446 175.900 0.019 0.000 0.984 4012 Y CA -1.216 56.901 58.100 0.029 0.000 1.058 4012 Y CB 1.341 39.814 38.460 0.022 0.000 1.220 4012 Y HN -0.323 nan 8.280 nan 0.000 0.455 4013 L N 2.993 124.351 121.223 0.224 0.000 2.371 4013 L HA 0.388 4.728 4.340 0.000 0.000 0.272 4013 L C -0.205 176.670 176.870 0.008 0.000 1.124 4013 L CA -0.334 54.547 54.840 0.069 0.000 0.816 4013 L CB 1.208 43.373 42.059 0.177 0.000 1.129 4013 L HN 0.586 nan 8.230 nan 0.000 0.448 4014 Q N 2.338 121.971 119.800 -0.278 0.000 2.353 4014 Q HA 0.565 4.906 4.340 0.000 0.000 0.268 4014 Q C -1.885 173.831 176.000 -0.473 0.000 1.045 4014 Q CA -0.611 55.071 55.803 -0.201 0.000 0.811 4014 Q CB 1.891 30.578 28.738 -0.086 0.000 1.305 4014 Q HN 0.422 nan 8.270 nan 0.000 0.447 4015 F N 2.158 122.183 119.950 0.125 0.000 2.557 4015 F HA 0.252 4.779 4.527 0.000 0.000 0.316 4015 F C -0.226 175.642 175.800 0.115 0.000 1.141 4015 F CA -1.055 57.050 58.000 0.176 0.000 0.922 4015 F CB 1.409 40.633 39.000 0.373 0.000 1.194 4015 F HN 0.567 nan 8.300 nan 0.000 0.443 4016 D N 0.993 121.547 120.400 0.258 0.000 2.411 4016 D HA 0.233 4.873 4.640 0.000 0.000 0.251 4016 D C 1.357 177.786 176.300 0.214 0.000 1.201 4016 D CA -0.664 53.437 54.000 0.169 0.000 0.996 4016 D CB 0.746 41.614 40.800 0.113 0.000 1.101 4016 D HN 0.510 nan 8.370 nan 0.000 0.504 4017 R N -0.211 120.377 120.500 0.147 0.000 2.112 4017 R HA -0.218 4.122 4.340 0.000 0.000 0.242 4017 R C 1.448 177.867 176.300 0.197 0.000 1.137 4017 R CA 1.674 57.870 56.100 0.160 0.000 0.944 4017 R CB -0.330 30.032 30.300 0.102 0.000 0.857 4017 R HN 0.485 nan 8.270 nan 0.000 0.435 4018 N N 0.731 119.522 118.700 0.153 0.000 2.120 4018 N HA -0.188 4.553 4.740 0.000 0.000 0.188 4018 N C 1.815 177.420 175.510 0.159 0.000 1.024 4018 N CA 1.574 54.703 53.050 0.132 0.000 0.852 4018 N CB -0.322 38.224 38.487 0.098 0.000 1.003 4018 N HN 0.462 nan 8.380 nan 0.000 0.424 4019 Q N -0.590 119.339 119.800 0.216 0.000 2.167 4019 Q HA -0.109 4.231 4.340 0.000 0.000 0.202 4019 Q C 1.927 178.098 176.000 0.285 0.000 0.970 4019 Q CA 0.771 56.733 55.803 0.265 0.000 0.855 4019 Q CB -0.100 28.849 28.738 0.351 0.000 0.911 4019 Q HN 0.536 nan 8.270 nan 0.000 0.438 4020 W N 0.970 122.339 121.300 0.114 0.000 2.407 4020 W HA -0.061 4.600 4.660 0.000 0.000 0.305 4020 W C 2.036 178.533 176.519 -0.037 0.000 1.196 4020 W CA 1.446 58.772 57.345 -0.032 0.000 1.311 4020 W CB -0.110 29.328 29.460 -0.036 0.000 1.135 4020 W HN 0.152 nan 8.180 nan 0.000 0.514 4021 A N 0.883 123.774 122.820 0.119 0.000 2.024 4021 A HA -0.062 4.258 4.320 0.000 0.000 0.220 4021 A C 1.995 179.543 177.584 -0.061 0.000 1.164 4021 A CA 2.024 54.072 52.037 0.017 0.000 0.643 4021 A CB -1.129 17.922 19.000 0.085 0.000 0.806 4021 A HN 0.293 nan 8.150 nan 0.000 0.451 4022 A N -0.521 122.277 122.820 -0.038 0.000 2.209 4022 A HA 0.189 4.509 4.320 0.000 0.000 0.212 4022 A C 1.820 179.341 177.584 -0.104 0.000 1.158 4022 A CA 0.803 52.817 52.037 -0.038 0.000 0.742 4022 A CB -0.489 18.520 19.000 0.016 0.000 0.790 4022 A HN 0.498 nan 8.150 nan 0.000 0.472 4023 L N 0.001 121.083 121.223 -0.236 0.000 2.395 4023 L HA -0.009 4.331 4.340 0.000 0.000 0.218 4023 L C 1.385 178.139 176.870 -0.193 0.000 1.130 4023 L CA 0.035 54.703 54.840 -0.288 0.000 0.826 4023 L CB -0.448 41.251 42.059 -0.600 0.000 0.941 4023 L HN 0.511 nan 8.230 nan 0.000 0.451 4024 R N 0.442 120.846 120.500 -0.159 0.000 2.641 4024 R HA 0.132 4.472 4.340 0.000 0.000 0.269 4024 R C -0.372 175.897 176.300 -0.052 0.000 1.074 4024 R CA -0.731 55.315 56.100 -0.090 0.000 1.133 4024 R CB 0.573 30.833 30.300 -0.066 0.000 1.029 4024 R HN -0.044 nan 8.270 nan 0.000 0.488 4030 T N 2.858 117.372 114.554 -0.066 0.000 2.829 4030 T HA 0.715 5.066 4.350 0.000 0.000 0.280 4030 T C -0.568 174.098 174.700 -0.058 0.000 0.999 4030 T CA -0.669 61.400 62.100 -0.051 0.000 0.983 4030 T CB 1.346 70.187 68.868 -0.046 0.000 0.968 4030 T HN 0.433 nan 8.240 nan 0.000 0.446 4031 L N 2.291 123.489 121.223 -0.042 0.000 2.312 4031 L HA 0.463 4.803 4.340 0.000 0.000 0.281 4031 L C 1.060 177.907 176.870 -0.038 0.000 1.070 4031 L CA -0.605 54.210 54.840 -0.041 0.000 0.805 4031 L CB 1.497 43.540 42.059 -0.026 0.000 1.174 4031 L HN 0.622 nan 8.230 nan 0.000 0.434 4032 S N 1.892 117.567 115.700 -0.041 0.000 2.598 4032 S HA 0.105 4.575 4.470 0.000 0.000 0.256 4032 S C 1.347 175.930 174.600 -0.028 0.000 1.350 4032 S CA 0.556 58.734 58.200 -0.036 0.000 0.984 4032 S CB 1.232 64.409 63.200 -0.037 0.000 0.930 4032 S HN 0.745 nan 8.310 nan 0.000 0.577 4033 E N 0.918 121.103 120.200 -0.025 0.000 2.106 4033 E HA -0.127 4.224 4.350 0.000 0.000 0.192 4033 E C 1.555 178.142 176.600 -0.021 0.000 0.984 4033 E CA 1.727 58.114 56.400 -0.021 0.000 0.806 4033 E CB -0.990 28.699 29.700 -0.019 0.000 0.750 4033 E HN 0.811 nan 8.360 nan 0.000 0.458 4034 D N 0.227 120.614 120.400 -0.021 0.000 2.144 4034 D HA -0.119 4.521 4.640 0.000 0.000 0.200 4034 D C 1.883 178.171 176.300 -0.020 0.000 0.978 4034 D CA 1.284 55.273 54.000 -0.020 0.000 0.833 4034 D CB -0.113 40.676 40.800 -0.018 0.000 0.961 4034 D HN 0.642 nan 8.370 nan 0.000 0.470 4035 E N 0.484 120.670 120.200 -0.023 0.000 2.106 4035 E HA -0.075 4.275 4.350 0.000 0.000 0.192 4035 E C 2.339 178.925 176.600 -0.022 0.000 0.984 4035 E CA 0.393 56.779 56.400 -0.023 0.000 0.806 4035 E CB 0.072 29.755 29.700 -0.028 0.000 0.750 4035 E HN 0.310 nan 8.360 nan 0.000 0.458 4036 I N 1.077 121.633 120.570 -0.023 0.000 2.353 4036 I HA -0.202 3.969 4.170 0.000 0.000 0.248 4036 I C 2.497 178.599 176.117 -0.026 0.000 1.119 4036 I CA 0.683 61.969 61.300 -0.022 0.000 1.417 4036 I CB -0.204 37.783 38.000 -0.020 0.000 1.078 4036 I HN 0.065 nan 8.210 nan 0.000 0.421 4037 A N 0.693 123.498 122.820 -0.024 0.000 1.930 4037 A HA -0.205 4.115 4.320 0.000 0.000 0.217 4037 A C 2.442 180.009 177.584 -0.028 0.000 1.175 4037 A CA 1.357 53.379 52.037 -0.025 0.000 0.627 4037 A CB -0.534 18.453 19.000 -0.021 0.000 0.815 4037 A HN 0.314 nan 8.150 nan 0.000 0.443 4038 R N -0.356 120.128 120.500 -0.025 0.000 2.075 4038 R HA -0.019 4.321 4.340 0.000 0.000 0.232 4038 R C 1.949 178.227 176.300 -0.036 0.000 1.126 4038 R CA 1.314 57.398 56.100 -0.026 0.000 0.963 4038 R CB -0.353 29.935 30.300 -0.018 0.000 0.858 4038 R HN 0.523 nan 8.270 nan 0.000 0.435 4039 L N 0.850 122.049 121.223 -0.039 0.000 2.046 4039 L HA -0.187 4.153 4.340 0.000 0.000 0.208 4039 L C 3.080 179.910 176.870 -0.066 0.000 1.077 4039 L CA 2.019 56.826 54.840 -0.055 0.000 0.747 4039 L CB -0.707 41.323 42.059 -0.049 0.000 0.896 4039 L HN 0.307 nan 8.230 nan 0.000 0.432 4040 K N 0.456 120.823 120.400 -0.055 0.000 2.057 4040 K HA -0.085 4.235 4.320 0.000 0.000 0.207 4040 K C 2.100 178.661 176.600 -0.064 0.000 1.049 4040 K CA 1.436 57.688 56.287 -0.059 0.000 0.931 4040 K CB -1.820 30.652 32.500 -0.047 0.000 0.714 4040 K HN 0.502 nan 8.250 nan 0.000 0.440 4041 G N 0.768 109.536 108.800 -0.053 0.000 2.432 4041 G HA2 -0.143 3.817 3.960 0.000 0.000 0.219 4041 G HA3 -0.143 3.817 3.960 0.000 0.000 0.219 4041 G C 1.781 176.645 174.900 -0.060 0.000 1.135 4041 G CA 0.995 46.065 45.100 -0.051 0.000 0.767 4041 G HN 0.516 nan 8.290 nan 0.000 0.550 4042 I N -0.222 120.309 120.570 -0.066 0.000 2.179 4042 I HA -0.055 4.115 4.170 0.000 0.000 0.242 4042 I C 0.649 176.704 176.117 -0.103 0.000 1.088 4042 I CA 0.809 62.063 61.300 -0.077 0.000 1.357 4042 I CB 0.082 38.030 38.000 -0.086 0.000 1.051 4042 I HN 0.118 nan 8.210 nan 0.000 0.409 4043 N N 0.035 118.664 118.700 -0.119 0.000 2.578 4043 N HA 0.071 4.811 4.740 0.000 0.000 0.282 4043 N C -0.044 175.387 175.510 -0.132 0.000 1.119 4043 N CA -0.164 52.798 53.050 -0.146 0.000 0.948 4043 N CB 1.357 39.728 38.487 -0.193 0.000 1.546 4043 N HN 0.030 nan 8.380 nan 0.000 0.525 4044 E N 0.822 120.949 120.200 -0.122 0.000 2.265 4044 E HA -0.106 4.244 4.350 0.000 0.000 0.196 4044 E C -0.018 176.519 176.600 -0.104 0.000 0.996 4044 E CA 1.010 57.349 56.400 -0.102 0.000 0.832 4044 E CB 0.347 29.990 29.700 -0.095 0.000 0.756 4044 E HN 0.512 nan 8.360 nan 0.000 0.491 4045 D N 0.228 120.548 120.400 -0.133 0.000 2.350 4045 D HA -0.008 4.632 4.640 0.000 0.000 0.213 4045 D C 0.255 176.474 176.300 -0.134 0.000 1.031 4045 D CA -0.038 53.884 54.000 -0.130 0.000 0.861 4045 D CB 0.154 40.859 40.800 -0.157 0.000 0.926 4045 D HN 0.078 nan 8.370 nan 0.000 0.520 4046 L N 1.813 122.947 121.223 -0.148 0.000 2.500 4046 L HA 0.039 4.379 4.340 0.000 0.000 0.272 4046 L C 0.335 177.162 176.870 -0.072 0.000 1.149 4046 L CA -0.157 54.600 54.840 -0.137 0.000 0.897 4046 L CB 0.525 42.486 42.059 -0.163 0.000 1.178 4046 L HN -0.265 nan 8.230 nan 0.000 0.473 4047 S N 4.858 120.537 115.700 -0.034 0.000 2.533 4047 S HA 0.138 4.608 4.470 0.000 0.000 0.282 4047 S C 1.349 175.961 174.600 0.021 0.000 1.304 4047 S CA -0.405 57.796 58.200 0.002 0.000 1.063 4047 S CB 0.242 63.459 63.200 0.029 0.000 0.881 4047 S HN 0.747 nan 8.310 nan 0.000 0.493 4048 L N 3.910 125.141 121.223 0.013 0.000 2.217 4048 L HA -0.011 4.329 4.340 0.000 0.000 0.211 4048 L C 2.630 179.525 176.870 0.043 0.000 1.107 4048 L CA 1.259 56.112 54.840 0.021 0.000 0.783 4048 L CB -0.395 41.667 42.059 0.006 0.000 0.919 4048 L HN 0.802 nan 8.230 nan 0.000 0.442 4049 E N 0.654 120.880 120.200 0.043 0.000 2.072 4049 E HA -0.278 4.072 4.350 0.000 0.000 0.190 4049 E C 2.014 178.662 176.600 0.080 0.000 0.982 4049 E CA 1.159 57.590 56.400 0.051 0.000 0.803 4049 E CB 0.186 29.912 29.700 0.042 0.000 0.755 4049 E HN 0.329 nan 8.360 nan 0.000 0.453 4050 E N 0.187 120.446 120.200 0.099 0.000 2.085 4050 E HA -0.179 4.172 4.350 0.000 0.000 0.194 4050 E C 1.972 178.712 176.600 0.234 0.000 0.994 4050 E CA 1.558 58.049 56.400 0.151 0.000 0.801 4050 E CB -0.213 29.595 29.700 0.180 0.000 0.743 4050 E HN 0.164 nan 8.360 nan 0.000 0.453 4051 V N 0.668 120.725 119.914 0.239 0.000 2.295 4051 V HA -0.285 3.835 4.120 0.000 0.000 0.246 4051 V C 2.364 178.577 176.094 0.197 0.000 1.049 4051 V CA 1.951 64.424 62.300 0.289 0.000 1.024 4051 V CB -0.974 30.932 31.823 0.137 0.000 0.648 4051 V HN 0.487 nan 8.190 nan 0.000 0.447 4052 A N -0.450 122.440 122.820 0.116 0.000 1.933 4052 A HA -0.214 4.106 4.320 0.000 0.000 0.218 4052 A C 2.133 179.758 177.584 0.069 0.000 1.175 4052 A CA 1.853 53.935 52.037 0.075 0.000 0.628 4052 A CB -0.353 18.674 19.000 0.045 0.000 0.814 4052 A HN 0.670 nan 8.150 nan 0.000 0.444 4053 E N -1.152 119.096 120.200 0.081 0.000 2.340 4053 E HA 0.045 4.395 4.350 0.000 0.000 0.194 4053 E C 1.230 177.903 176.600 0.121 0.000 0.996 4053 E CA 0.380 56.826 56.400 0.076 0.000 0.869 4053 E CB 0.131 29.878 29.700 0.078 0.000 0.835 4053 E HN 0.543 nan 8.360 nan 0.000 0.493 4054 I N -0.759 119.872 120.570 0.103 0.000 3.345 4054 I HA -0.036 4.134 4.170 0.000 0.000 0.258 4054 I C 1.785 177.905 176.117 0.004 0.000 1.134 4054 I CA 0.707 62.046 61.300 0.065 0.000 1.457 4054 I CB -1.114 36.702 38.000 -0.308 0.000 1.425 4054 I HN 0.037 nan 8.210 nan 0.000 0.461 4055 Y N 1.243 121.658 120.300 0.192 0.000 2.314 4055 Y HA -0.003 4.547 4.550 0.000 0.000 0.293 4055 Y C 2.602 178.594 175.900 0.152 0.000 1.129 4055 Y CA 0.856 59.053 58.100 0.161 0.000 1.201 4055 Y CB -0.334 38.182 38.460 0.093 0.000 0.999 4055 Y HN 0.018 nan 8.280 nan 0.000 0.541 4056 L N -0.141 121.218 121.223 0.225 0.000 2.027 4056 L HA -0.130 4.210 4.340 0.000 0.000 0.206 4056 L C -0.528 176.421 176.870 0.131 0.000 1.074 4056 L CA 1.233 56.167 54.840 0.157 0.000 0.745 4056 L CB -1.364 40.747 42.059 0.086 0.000 0.898 4056 L HN 0.153 nan 8.230 nan 0.000 0.433 4057 P HA -0.188 nan 4.420 nan 0.000 0.217 4057 P C 1.645 178.985 177.300 0.068 0.000 1.150 4057 P CA 1.041 64.099 63.100 -0.069 0.000 0.832 4057 P CB 0.083 31.560 31.700 -0.370 0.000 0.787 4058 L N 0.072 121.476 121.223 0.301 0.000 2.093 4058 L HA -0.132 4.208 4.340 0.000 0.000 0.208 4058 L C 2.199 179.180 176.870 0.186 0.000 1.085 4058 L CA 2.261 57.330 54.840 0.381 0.000 0.755 4058 L CB -1.442 40.814 42.059 0.329 0.000 0.904 4058 L HN -0.011 nan 8.230 nan 0.000 0.435 4059 S N -1.115 114.696 115.700 0.185 0.000 2.402 4059 S HA -0.152 4.318 4.470 0.000 0.000 0.229 4059 S C 2.120 176.742 174.600 0.037 0.000 1.021 4059 S CA 0.660 58.943 58.200 0.138 0.000 0.974 4059 S CB -0.538 62.832 63.200 0.285 0.000 0.800 4059 S HN 0.508 nan 8.310 nan 0.000 0.484 4060 R N 0.385 120.957 120.500 0.120 0.000 2.066 4060 R HA 0.081 4.421 4.340 0.000 0.000 0.232 4060 R C 2.434 178.635 176.300 -0.164 0.000 1.131 4060 R CA 1.361 57.456 56.100 -0.009 0.000 0.955 4060 R CB -0.756 29.570 30.300 0.044 0.000 0.851 4060 R HN 0.423 nan 8.270 nan 0.000 0.432 4061 L N 1.348 122.605 121.223 0.058 0.000 2.012 4061 L HA -0.189 4.151 4.340 0.000 0.000 0.210 4061 L C 2.065 178.997 176.870 0.103 0.000 1.073 4061 L CA 1.677 56.653 54.840 0.228 0.000 0.748 4061 L CB -0.358 41.854 42.059 0.255 0.000 0.891 4061 L HN 0.143 nan 8.230 nan 0.000 0.431 4062 L N -0.229 120.903 121.223 -0.151 0.000 2.042 4062 L HA -0.260 4.080 4.340 0.000 0.000 0.210 4062 L C 2.517 179.170 176.870 -0.363 0.000 1.076 4062 L CA 1.749 56.373 54.840 -0.360 0.000 0.749 4062 L CB -0.934 40.901 42.059 -0.373 0.000 0.893 4062 L HN 0.540 nan 8.230 nan 0.000 0.432 4063 N N 0.433 118.825 118.700 -0.515 0.000 2.223 4063 N HA -0.206 4.535 4.740 0.000 0.000 0.185 4063 N C 2.016 177.259 175.510 -0.446 0.000 1.016 4063 N CA 1.356 53.971 53.050 -0.726 0.000 0.863 4063 N CB -0.037 37.576 38.487 -1.457 0.000 0.983 4063 N HN 0.273 nan 8.380 nan 0.000 0.429 4064 F N -0.102 119.728 119.950 -0.201 0.000 2.146 4064 F HA -0.151 4.376 4.527 0.000 0.000 0.298 4064 F C 1.940 177.645 175.800 -0.158 0.000 1.096 4064 F CA 0.778 58.694 58.000 -0.141 0.000 1.275 4064 F CB -0.292 38.653 39.000 -0.091 0.000 1.008 4064 F HN 0.039 nan 8.300 nan 0.000 0.480 4065 Y N 0.112 120.401 120.300 -0.019 0.000 2.200 4065 Y HA -0.183 4.367 4.550 0.000 0.000 0.290 4065 Y C 2.270 178.056 175.900 -0.190 0.000 1.137 4065 Y CA 1.281 59.364 58.100 -0.029 0.000 1.163 4065 Y CB -0.606 37.853 38.460 -0.001 0.000 0.988 4065 Y HN -0.012 nan 8.280 nan 0.000 0.518 4066 I N -1.313 119.046 120.570 -0.351 0.000 2.202 4066 I HA -0.313 3.857 4.170 0.000 0.000 0.242 4066 I C 2.354 178.329 176.117 -0.238 0.000 1.091 4066 I CA 1.369 62.283 61.300 -0.642 0.000 1.368 4066 I CB -0.534 36.984 38.000 -0.804 0.000 1.058 4066 I HN 0.050 nan 8.210 nan 0.000 0.410 4067 S N 0.126 115.735 115.700 -0.153 0.000 2.359 4067 S HA -0.230 4.240 4.470 0.000 0.000 0.224 4067 S C 2.200 176.794 174.600 -0.011 0.000 1.035 4067 S CA 1.864 60.029 58.200 -0.058 0.000 1.018 4067 S CB -0.387 62.791 63.200 -0.037 0.000 0.876 4067 S HN 0.458 nan 8.310 nan 0.000 0.448 4068 S N 1.952 117.650 115.700 -0.004 0.000 2.387 4068 S HA -0.189 4.281 4.470 0.000 0.000 0.230 4068 S C 1.920 176.542 174.600 0.037 0.000 1.035 4068 S CA 1.468 59.671 58.200 0.005 0.000 1.014 4068 S CB -0.631 62.548 63.200 -0.035 0.000 0.836 4068 S HN 0.595 nan 8.310 nan 0.000 0.466 4069 N N 0.766 119.506 118.700 0.065 0.000 2.142 4069 N HA -0.051 4.689 4.740 0.000 0.000 0.186 4069 N C 1.901 177.467 175.510 0.093 0.000 1.023 4069 N CA 1.404 54.531 53.050 0.128 0.000 0.852 4069 N CB -0.335 38.311 38.487 0.266 0.000 0.998 4069 N HN 0.458 nan 8.380 nan 0.000 0.424 4070 L N 0.790 122.049 121.223 0.059 0.000 2.046 4070 L HA -0.095 4.246 4.340 0.000 0.000 0.208 4070 L C 2.749 179.647 176.870 0.047 0.000 1.077 4070 L CA 0.829 55.702 54.840 0.055 0.000 0.747 4070 L CB -0.332 41.752 42.059 0.041 0.000 0.896 4070 L HN 0.099 nan 8.230 nan 0.000 0.432 4071 R N 0.025 120.547 120.500 0.037 0.000 2.073 4071 R HA -0.151 4.189 4.340 0.000 0.000 0.234 4071 R C 2.237 178.558 176.300 0.035 0.000 1.134 4071 R CA 1.251 57.370 56.100 0.032 0.000 0.952 4071 R CB -0.828 29.486 30.300 0.023 0.000 0.850 4071 R HN 0.346 nan 8.270 nan 0.000 0.433 4072 R N 1.173 121.696 120.500 0.038 0.000 2.105 4072 R HA -0.163 4.178 4.340 0.000 0.000 0.239 4072 R C 2.239 178.570 176.300 0.052 0.000 1.135 4072 R CA 1.687 57.810 56.100 0.039 0.000 0.967 4072 R CB -0.117 30.209 30.300 0.043 0.000 0.861 4072 R HN 0.299 nan 8.270 nan 0.000 0.442 4073 Q N -0.436 119.401 119.800 0.061 0.000 2.124 4073 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 4073 Q C 1.847 177.883 176.000 0.061 0.000 0.977 4073 Q CA 1.718 57.561 55.803 0.066 0.000 0.850 4073 Q CB -0.050 28.730 28.738 0.071 0.000 0.901 4073 Q HN 0.487 nan 8.270 nan 0.000 0.429 4074 A N -0.499 122.353 122.820 0.053 0.000 1.872 4074 A HA -0.104 4.216 4.320 0.000 0.000 0.214 4074 A C 2.165 179.783 177.584 0.056 0.000 1.187 4074 A CA 1.273 53.340 52.037 0.050 0.000 0.614 4074 A CB -0.644 18.380 19.000 0.040 0.000 0.826 4074 A HN 0.281 nan 8.150 nan 0.000 0.442 4075 V N 0.142 120.087 119.914 0.052 0.000 2.407 4075 V HA -0.239 3.881 4.120 0.000 0.000 0.248 4075 V C 2.503 178.653 176.094 0.094 0.000 1.055 4075 V CA 1.928 64.260 62.300 0.054 0.000 1.049 4075 V CB -0.647 31.191 31.823 0.024 0.000 0.662 4075 V HN 0.549 nan 8.190 nan 0.000 0.455 4076 L N -0.415 120.867 121.223 0.099 0.000 2.179 4076 L HA -0.101 4.239 4.340 0.000 0.000 0.208 4076 L C 2.528 179.491 176.870 0.155 0.000 1.096 4076 L CA 1.450 56.384 54.840 0.157 0.000 0.779 4076 L CB -0.456 41.676 42.059 0.122 0.000 0.922 4076 L HN 0.409 nan 8.230 nan 0.000 0.443 4077 E N 0.367 120.627 120.200 0.100 0.000 2.077 4077 E HA -0.312 4.039 4.350 0.000 0.000 0.193 4077 E C 2.176 178.818 176.600 0.070 0.000 0.989 4077 E CA 1.406 57.848 56.400 0.071 0.000 0.800 4077 E CB 0.011 29.743 29.700 0.054 0.000 0.746 4077 E HN 0.440 nan 8.360 nan 0.000 0.452 4078 Q N -0.507 119.347 119.800 0.090 0.000 2.050 4078 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 4078 Q C 2.041 178.114 176.000 0.121 0.000 0.980 4078 Q CA 1.703 57.559 55.803 0.088 0.000 0.840 4078 Q CB -0.259 28.533 28.738 0.090 0.000 0.898 4078 Q HN 0.391 nan 8.270 nan 0.000 0.424 4079 F N 0.823 120.778 119.950 0.010 0.000 2.084 4079 F HA -0.095 4.433 4.527 0.000 0.000 0.296 4079 F C 1.616 177.420 175.800 0.008 0.000 1.111 4079 F CA 1.313 59.318 58.000 0.008 0.000 1.224 4079 F CB -0.192 38.813 39.000 0.008 0.000 0.991 4079 F HN 0.054 nan 8.300 nan 0.000 0.471 4080 L N 0.096 121.252 121.223 -0.112 0.000 2.552 4080 L HA 0.156 4.496 4.340 0.000 0.000 0.227 4080 L C 1.753 178.538 176.870 -0.142 0.000 1.146 4080 L CA 0.626 55.335 54.840 -0.218 0.000 0.858 4080 L CB -1.260 40.779 42.059 -0.033 0.000 0.969 4080 L HN 0.449 nan 8.230 nan 0.000 0.451 4081 G N 0.682 109.434 108.800 -0.080 0.000 2.258 4081 G HA2 -0.286 3.674 3.960 0.000 0.000 0.274 4081 G HA3 -0.286 3.674 3.960 0.000 0.000 0.274 4081 G C 0.274 175.154 174.900 -0.032 0.000 1.021 4081 G CA 0.685 45.755 45.100 -0.051 0.000 0.798 4081 G HN 0.329 nan 8.290 nan 0.000 0.507 4082 T N 0.821 115.365 114.554 -0.017 0.000 3.029 4082 T HA 0.297 4.647 4.350 0.000 0.000 0.346 4082 T C 0.598 175.303 174.700 0.009 0.000 1.211 4082 T CA -0.546 61.550 62.100 -0.006 0.000 1.009 4082 T CB 0.606 69.472 68.868 -0.003 0.000 1.084 4082 T HN 0.189 nan 8.240 nan 0.000 0.536 4083 N N 3.066 121.770 118.700 0.007 0.000 2.906 4083 N HA 0.072 4.812 4.740 0.000 0.000 0.282 4083 N C 1.096 176.614 175.510 0.014 0.000 1.293 4083 N CA -0.084 52.974 53.050 0.013 0.000 1.059 4083 N CB 0.166 38.659 38.487 0.011 0.000 1.388 4083 N HN 0.770 nan 8.380 nan 0.000 0.533 4084 G N -0.489 108.321 108.800 0.015 0.000 2.744 4084 G HA2 0.203 4.164 3.960 0.000 0.000 0.257 4084 G HA3 0.203 4.164 3.960 0.000 0.000 0.257 4084 G C 0.324 175.235 174.900 0.018 0.000 1.244 4084 G CA -0.224 44.885 45.100 0.015 0.000 0.916 4084 G HN 0.537 nan 8.290 nan 0.000 0.564 4085 Q N -1.701 118.108 119.800 0.015 0.000 2.421 4085 Q HA 0.598 4.938 4.340 0.000 0.000 0.255 4085 Q C 0.836 176.849 176.000 0.023 0.000 1.013 4085 Q CA 0.435 56.248 55.803 0.016 0.000 0.895 4085 Q CB -0.311 28.433 28.738 0.009 0.000 1.271 4085 Q HN 1.463 nan 8.270 nan 0.000 0.460 4086 R N 1.498 122.014 120.500 0.026 0.000 2.347 4086 R HA 0.536 4.876 4.340 0.000 0.000 0.304 4086 R C -0.132 176.188 176.300 0.034 0.000 1.072 4086 R CA -0.309 55.813 56.100 0.036 0.000 0.980 4086 R CB -0.020 30.304 30.300 0.041 0.000 0.986 4086 R HN 0.707 nan 8.270 nan 0.000 0.448 4087 I N 4.426 125.022 120.570 0.043 0.000 2.359 4087 I HA 0.326 4.496 4.170 0.000 0.000 0.294 4087 I C -2.174 173.975 176.117 0.055 0.000 0.987 4087 I CA -3.188 58.133 61.300 0.036 0.000 1.225 4087 I CB 1.471 39.493 38.000 0.038 0.000 1.366 4087 I HN 0.489 nan 8.210 nan 0.000 0.466 4088 P HA 0.033 nan 4.420 nan 0.000 0.268 4088 P C -0.810 176.540 177.300 0.085 0.000 1.204 4088 P CA 0.081 63.217 63.100 0.060 0.000 0.768 4088 P CB 0.200 31.913 31.700 0.021 0.000 0.842 4089 Y N 4.064 124.367 120.300 0.004 0.000 2.359 4089 Y HA 0.341 4.891 4.550 0.000 0.000 0.334 4089 Y C -0.069 175.840 175.900 0.016 0.000 1.058 4089 Y CA 0.032 58.138 58.100 0.010 0.000 1.244 4089 Y CB 0.231 38.675 38.460 -0.026 0.000 1.187 4089 Y HN 0.227 nan 8.280 nan 0.000 0.510 4090 I N 8.136 128.556 120.570 -0.250 0.000 2.378 4090 I HA 0.345 4.515 4.170 0.000 0.000 0.291 4090 I C -0.780 175.302 176.117 -0.058 0.000 0.992 4090 I CA -0.635 60.619 61.300 -0.076 0.000 1.154 4090 I CB 1.474 39.447 38.000 -0.044 0.000 1.315 4090 I HN 0.488 nan 8.210 nan 0.000 0.448 4091 I N 5.411 126.039 120.570 0.096 0.000 2.406 4091 I HA 0.297 4.467 4.170 0.000 0.000 0.290 4091 I C 0.108 176.303 176.117 0.129 0.000 0.999 4091 I CA -0.277 61.122 61.300 0.164 0.000 1.124 4091 I CB 1.996 40.121 38.000 0.210 0.000 1.289 4091 I HN 0.592 nan 8.210 nan 0.000 0.441 4092 S N 6.825 122.598 115.700 0.122 0.000 2.578 4092 S HA 0.805 5.276 4.470 0.000 0.000 0.301 4092 S C -0.686 173.975 174.600 0.102 0.000 1.091 4092 S CA -0.712 57.543 58.200 0.091 0.000 1.032 4092 S CB 1.951 65.187 63.200 0.059 0.000 1.064 4092 S HN 0.481 nan 8.310 nan 0.000 0.508 4093 I N 1.602 122.218 120.570 0.077 0.000 2.468 4093 I HA 0.610 4.780 4.170 0.000 0.000 0.285 4093 I C 0.056 176.187 176.117 0.023 0.000 1.039 4093 I CA -0.684 60.656 61.300 0.066 0.000 1.074 4093 I CB 1.609 39.651 38.000 0.071 0.000 1.228 4093 I HN 0.929 nan 8.210 nan 0.000 0.436 4094 A N 4.428 127.243 122.820 -0.007 0.000 2.309 4094 A HA 1.057 5.377 4.320 0.000 0.000 0.317 4094 A C 0.014 177.378 177.584 -0.366 0.000 1.134 4094 A CA -0.289 51.702 52.037 -0.077 0.000 0.866 4094 A CB 1.644 20.684 19.000 0.067 0.000 1.329 4094 A HN 1.001 nan 8.150 nan 0.000 0.477 4095 G N -1.313 107.219 108.800 -0.446 0.000 2.351 4095 G HA2 0.484 4.445 3.960 0.000 0.000 0.353 4095 G HA3 0.484 4.445 3.960 0.000 0.000 0.353 4095 G C -0.144 174.660 174.900 -0.160 0.000 1.358 4095 G CA 0.069 44.769 45.100 -0.666 0.000 0.995 4095 G HN 1.747 nan 8.290 nan 0.000 0.611 4096 S N -1.475 114.207 115.700 -0.030 0.000 2.569 4096 S HA 0.367 4.837 4.470 0.000 0.000 0.274 4096 S C 1.059 175.788 174.600 0.215 0.000 1.353 4096 S CA 0.093 58.385 58.200 0.153 0.000 1.023 4096 S CB 0.633 64.005 63.200 0.287 0.000 0.876 4096 S HN 1.478 nan 8.310 nan 0.000 0.540 4097 V N 4.185 124.270 119.914 0.285 0.000 2.673 4097 V HA 0.382 4.503 4.120 0.000 0.000 0.303 4097 V C 1.296 177.666 176.094 0.460 0.000 1.046 4097 V CA 1.056 63.569 62.300 0.355 0.000 1.126 4097 V CB -0.081 31.972 31.823 0.385 0.000 0.934 4097 V HN 1.648 nan 8.190 nan 0.000 0.487 4098 A N 3.573 126.632 122.820 0.399 0.000 3.021 4098 A HA -0.160 4.160 4.320 0.000 0.000 0.257 4098 A C 1.300 179.137 177.584 0.421 0.000 1.277 4098 A CA 1.020 53.295 52.037 0.398 0.000 1.012 4098 A CB -1.976 17.321 19.000 0.494 0.000 1.147 4098 A HN 1.356 nan 8.150 nan 0.000 0.861 4099 V N -0.855 119.271 119.914 0.355 0.000 2.951 4099 V HA 0.416 4.536 4.120 0.000 0.000 0.255 4099 V C 1.689 177.962 176.094 0.298 0.000 1.088 4099 V CA 2.668 65.218 62.300 0.416 0.000 1.109 4099 V CB 0.252 32.227 31.823 0.254 0.000 0.724 4099 V HN 2.481 nan 8.190 nan 0.000 0.471 4100 G N -0.174 108.723 108.800 0.161 0.000 2.157 4100 G HA2 -0.166 3.794 3.960 0.000 0.000 0.118 4100 G HA3 -0.166 3.794 3.960 0.000 0.000 0.118 4100 G C 0.533 175.444 174.900 0.018 0.000 1.032 4100 G CA 0.298 45.414 45.100 0.028 0.000 0.697 4100 G HN 0.431 nan 8.290 nan 0.000 0.495 4101 K N 0.340 120.770 120.400 0.050 0.000 2.026 4101 K HA -0.033 4.287 4.320 0.000 0.000 0.208 4101 K C 2.668 179.286 176.600 0.031 0.000 1.048 4101 K CA 1.574 57.885 56.287 0.040 0.000 0.929 4101 K CB -0.222 32.308 32.500 0.049 0.000 0.713 4101 K HN 0.302 nan 8.250 nan 0.000 0.439 4102 S N 0.260 115.982 115.700 0.037 0.000 2.368 4102 S HA -0.144 4.326 4.470 0.000 0.000 0.225 4102 S C 1.940 176.527 174.600 -0.023 0.000 1.030 4102 S CA 1.841 60.059 58.200 0.030 0.000 0.999 4102 S CB -0.297 62.934 63.200 0.053 0.000 0.844 4102 S HN 0.276 nan 8.310 nan 0.000 0.459 4103 T N 1.213 115.724 114.554 -0.073 0.000 2.737 4103 T HA -0.061 4.289 4.350 0.000 0.000 0.265 4103 T C 1.933 176.535 174.700 -0.165 0.000 1.038 4103 T CA 1.839 63.853 62.100 -0.143 0.000 1.144 4103 T CB -0.861 67.873 68.868 -0.224 0.000 0.866 4103 T HN 0.495 nan 8.240 nan 0.000 0.434 4104 T N 2.102 116.582 114.554 -0.124 0.000 2.684 4104 T HA -0.066 4.285 4.350 0.000 0.000 0.267 4104 T C 2.374 177.049 174.700 -0.042 0.000 1.036 4104 T CA 1.229 63.270 62.100 -0.099 0.000 1.148 4104 T CB -0.578 68.317 68.868 0.045 0.000 0.863 4104 T HN 0.424 nan 8.240 nan 0.000 0.436 4105 A N 1.843 124.662 122.820 -0.003 0.000 1.858 4105 A HA -0.145 4.175 4.320 0.000 0.000 0.216 4105 A C 2.383 179.972 177.584 0.008 0.000 1.190 4105 A CA 1.644 53.697 52.037 0.026 0.000 0.617 4105 A CB -0.554 18.472 19.000 0.043 0.000 0.827 4105 A HN 0.427 nan 8.150 nan 0.000 0.443 4106 R N -0.825 119.664 120.500 -0.017 0.000 2.096 4106 R HA -0.053 4.287 4.340 0.000 0.000 0.235 4106 R C 1.995 178.270 176.300 -0.043 0.000 1.127 4106 R CA 1.291 57.377 56.100 -0.022 0.000 0.968 4106 R CB -0.495 29.785 30.300 -0.033 0.000 0.861 4106 R HN 0.393 nan 8.270 nan 0.000 0.440 4107 V N 1.305 121.159 119.914 -0.100 0.000 2.307 4107 V HA -0.212 3.908 4.120 0.000 0.000 0.245 4107 V C 2.234 178.311 176.094 -0.029 0.000 1.045 4107 V CA 1.620 63.843 62.300 -0.128 0.000 1.024 4107 V CB -0.361 31.256 31.823 -0.343 0.000 0.651 4107 V HN 0.291 nan 8.190 nan 0.000 0.449 4108 L N -0.208 121.020 121.223 0.007 0.000 2.131 4108 L HA -0.242 4.098 4.340 0.000 0.000 0.210 4108 L C 2.630 179.543 176.870 0.072 0.000 1.092 4108 L CA 1.872 56.757 54.840 0.075 0.000 0.759 4108 L CB -0.579 41.533 42.059 0.090 0.000 0.903 4108 L HN 0.462 nan 8.230 nan 0.000 0.435 4109 Q N 0.264 120.095 119.800 0.051 0.000 2.084 4109 Q HA -0.224 4.116 4.340 0.000 0.000 0.202 4109 Q C 2.285 178.327 176.000 0.071 0.000 0.978 4109 Q CA 1.834 57.672 55.803 0.059 0.000 0.844 4109 Q CB -0.044 28.723 28.738 0.048 0.000 0.898 4109 Q HN 0.488 nan 8.270 nan 0.000 0.426 4110 A N 0.925 123.776 122.820 0.051 0.000 1.877 4110 A HA -0.140 4.180 4.320 0.000 0.000 0.216 4110 A C 2.085 179.717 177.584 0.080 0.000 1.186 4110 A CA 1.337 53.404 52.037 0.049 0.000 0.620 4110 A CB -0.754 18.255 19.000 0.016 0.000 0.822 4110 A HN 0.454 nan 8.150 nan 0.000 0.443 4111 L N -0.715 120.570 121.223 0.103 0.000 2.056 4111 L HA -0.139 4.201 4.340 0.000 0.000 0.207 4111 L C 2.460 179.510 176.870 0.300 0.000 1.078 4111 L CA 0.947 55.882 54.840 0.160 0.000 0.749 4111 L CB -0.602 41.566 42.059 0.182 0.000 0.901 4111 L HN 0.336 nan 8.230 nan 0.000 0.433 4112 L N -0.785 120.612 121.223 0.289 0.000 2.265 4112 L HA -0.157 4.183 4.340 0.000 0.000 0.215 4112 L C 2.485 179.630 176.870 0.459 0.000 1.117 4112 L CA 0.602 55.673 54.840 0.385 0.000 0.782 4112 L CB -0.359 41.775 42.059 0.126 0.000 0.914 4112 L HN 0.181 nan 8.230 nan 0.000 0.441 4113 S N -0.577 115.286 115.700 0.272 0.000 2.515 4113 S HA -0.070 4.400 4.470 0.000 0.000 0.231 4113 S C 1.926 176.621 174.600 0.157 0.000 0.987 4113 S CA 0.598 58.919 58.200 0.202 0.000 0.936 4113 S CB -0.120 63.149 63.200 0.114 0.000 0.766 4113 S HN 0.382 nan 8.310 nan 0.000 0.528 4114 R N 0.039 120.623 120.500 0.139 0.000 2.120 4114 R HA -0.019 4.321 4.340 0.000 0.000 0.234 4114 R C 0.316 176.517 176.300 -0.165 0.000 1.123 4114 R CA 0.610 56.656 56.100 -0.091 0.000 0.975 4114 R CB 0.072 30.187 30.300 -0.309 0.000 0.866 4114 R HN 0.387 nan 8.270 nan 0.000 0.446 4115 W N 1.045 122.286 121.300 -0.099 0.000 2.287 4115 W HA 0.117 4.778 4.660 0.000 0.000 0.313 4115 W C -1.786 174.602 176.519 -0.220 0.000 1.267 4115 W CA -2.283 54.929 57.345 -0.221 0.000 1.201 4115 W CB 0.613 29.800 29.460 -0.455 0.000 1.196 4115 W HN -0.044 nan 8.180 nan 0.000 0.536 4116 P HA -0.201 nan 4.420 nan 0.000 0.219 4116 P C 1.025 178.311 177.300 -0.022 0.000 1.146 4116 P CA 1.740 64.832 63.100 -0.014 0.000 0.808 4116 P CB 0.437 32.124 31.700 -0.022 0.000 0.779 4117 E N -1.743 118.399 120.200 -0.097 0.000 2.150 4117 E HA -0.124 4.227 4.350 0.000 0.000 0.193 4117 E C 0.535 177.133 176.600 -0.003 0.000 0.985 4117 E CA 0.966 57.301 56.400 -0.109 0.000 0.814 4117 E CB -0.700 28.876 29.700 -0.206 0.000 0.752 4117 E HN 0.459 nan 8.360 nan 0.000 0.466 4118 H N -0.311 118.812 119.070 0.088 0.000 2.588 4118 H HA 0.367 4.924 4.556 0.000 0.000 0.223 4118 H C 1.481 176.853 175.328 0.073 0.000 1.804 4118 H CA 0.366 56.453 56.048 0.065 0.000 1.269 4118 H CB -0.590 29.207 29.762 0.059 0.000 1.670 4118 H HN 0.123 nan 8.280 nan 0.000 0.539 4119 R N 1.411 121.997 120.500 0.145 0.000 2.066 4119 R HA 0.020 4.360 4.340 0.000 0.000 0.232 4119 R C 1.592 177.952 176.300 0.099 0.000 1.131 4119 R CA 1.548 57.707 56.100 0.099 0.000 0.955 4119 R CB -0.787 29.555 30.300 0.069 0.000 0.851 4119 R HN 0.545 nan 8.270 nan 0.000 0.432 4120 R N 0.705 121.265 120.500 0.099 0.000 2.246 4120 R HA 0.620 4.960 4.340 0.000 0.000 0.332 4120 R C -0.919 175.433 176.300 0.088 0.000 0.974 4120 R CA -0.057 56.093 56.100 0.084 0.000 0.837 4120 R CB 0.293 30.635 30.300 0.070 0.000 1.145 4120 R HN 0.322 nan 8.270 nan 0.000 0.467 4121 V N 4.233 124.198 119.914 0.085 0.000 2.289 4121 V HA 0.260 4.380 4.120 0.000 0.000 0.272 4121 V C -0.281 175.859 176.094 0.076 0.000 1.026 4121 V CA -0.955 61.391 62.300 0.077 0.000 0.807 4121 V CB 1.044 32.915 31.823 0.080 0.000 1.044 4121 V HN 0.848 nan 8.190 nan 0.000 0.443 4122 E N 3.084 123.334 120.200 0.084 0.000 2.374 4122 E HA 0.460 4.810 4.350 0.000 0.000 0.260 4122 E C -0.735 175.926 176.600 0.102 0.000 1.101 4122 E CA -0.348 56.110 56.400 0.096 0.000 0.907 4122 E CB 2.613 32.382 29.700 0.115 0.000 1.014 4122 E HN 0.456 nan 8.360 nan 0.000 0.427 4123 L N 3.770 125.055 121.223 0.103 0.000 2.404 4123 L HA 0.381 4.721 4.340 0.000 0.000 0.272 4123 L C -1.425 175.510 176.870 0.109 0.000 0.980 4123 L CA -0.510 54.390 54.840 0.100 0.000 0.836 4123 L CB 0.845 42.951 42.059 0.078 0.000 1.238 4123 L HN 0.318 nan 8.230 nan 0.000 0.408 4124 I N 3.246 123.890 120.570 0.122 0.000 2.498 4124 I HA 0.328 4.498 4.170 0.000 0.000 0.290 4124 I C 0.103 176.278 176.117 0.098 0.000 1.032 4124 I CA -0.296 61.068 61.300 0.108 0.000 1.073 4124 I CB 2.135 40.207 38.000 0.120 0.000 1.251 4124 I HN 0.471 nan 8.210 nan 0.000 0.426 4125 T N 2.377 116.994 114.554 0.105 0.000 2.859 4125 T HA 0.269 4.619 4.350 0.000 0.000 0.281 4125 T C 1.234 176.028 174.700 0.157 0.000 1.005 4125 T CA -0.203 61.968 62.100 0.118 0.000 1.025 4125 T CB 0.915 69.865 68.868 0.137 0.000 0.977 4125 T HN 0.824 nan 8.240 nan 0.000 0.458 4126 T N 1.086 115.715 114.554 0.125 0.000 3.113 4126 T HA -0.023 4.328 4.350 0.000 0.000 0.263 4126 T C 1.155 176.038 174.700 0.305 0.000 1.143 4126 T CA 0.685 62.889 62.100 0.174 0.000 1.090 4126 T CB -0.252 68.595 68.868 -0.034 0.000 0.922 4126 T HN 0.616 nan 8.240 nan 0.000 0.521 4127 D N 2.120 122.617 120.400 0.162 0.000 2.149 4127 D HA -0.058 4.582 4.640 0.000 0.000 0.198 4127 D C 2.338 178.579 176.300 -0.097 0.000 0.990 4127 D CA 1.499 55.455 54.000 -0.074 0.000 0.839 4127 D CB -0.891 39.811 40.800 -0.162 0.000 0.948 4127 D HN 0.613 nan 8.370 nan 0.000 0.460 4128 G N -0.175 108.662 108.800 0.061 0.000 2.448 4128 G HA2 -0.229 3.731 3.960 0.000 0.000 0.219 4128 G HA3 -0.229 3.731 3.960 0.000 0.000 0.219 4128 G C 1.006 175.794 174.900 -0.187 0.000 1.127 4128 G CA 0.084 45.150 45.100 -0.057 0.000 0.766 4128 G HN 0.219 nan 8.290 nan 0.000 0.552 4129 F N 0.711 120.628 119.950 -0.055 0.000 2.769 4129 F HA 0.391 4.919 4.527 0.000 0.000 0.304 4129 F C 1.155 176.917 175.800 -0.062 0.000 1.158 4129 F CA -0.534 57.439 58.000 -0.045 0.000 1.398 4129 F CB -0.251 38.731 39.000 -0.030 0.000 1.094 4129 F HN -0.072 nan 8.300 nan 0.000 0.553 4130 L N -0.065 121.129 121.223 -0.048 0.000 2.452 4130 L HA 0.105 4.446 4.340 0.000 0.000 0.267 4130 L C 0.779 177.548 176.870 -0.168 0.000 1.188 4130 L CA -0.435 54.243 54.840 -0.271 0.000 0.821 4130 L CB 0.303 42.086 42.059 -0.460 0.000 1.102 4130 L HN 0.057 nan 8.230 nan 0.000 0.470 4131 H N 1.495 120.518 119.070 -0.078 0.000 2.732 4131 H HA 0.151 4.708 4.556 0.000 0.000 0.351 4131 H C -2.033 173.266 175.328 -0.048 0.000 1.090 4131 H CA -1.654 54.376 56.048 -0.030 0.000 1.431 4131 H CB 0.668 30.424 29.762 -0.010 0.000 1.447 4131 H HN 0.302 nan 8.280 nan 0.000 0.582 4132 P HA -0.055 nan 4.420 nan 0.000 0.271 4132 P C 0.913 178.229 177.300 0.026 0.000 1.238 4132 P CA -0.194 62.932 63.100 0.043 0.000 0.794 4132 P CB 0.790 32.508 31.700 0.030 0.000 0.959 4133 N N 0.373 119.074 118.700 0.002 0.000 2.149 4133 N HA -0.190 4.550 4.740 0.000 0.000 0.188 4133 N C 1.598 177.112 175.510 0.007 0.000 1.019 4133 N CA 1.153 54.203 53.050 -0.001 0.000 0.857 4133 N CB -0.534 37.958 38.487 0.008 0.000 0.997 4133 N HN 0.567 nan 8.380 nan 0.000 0.426 4134 Q N 0.850 120.654 119.800 0.006 0.000 2.030 4134 Q HA -0.113 4.227 4.340 0.000 0.000 0.204 4134 Q C 1.772 177.765 176.000 -0.010 0.000 0.986 4134 Q CA 1.556 57.359 55.803 0.001 0.000 0.843 4134 Q CB 0.082 28.821 28.738 0.001 0.000 0.904 4134 Q HN 0.120 nan 8.270 nan 0.000 0.420 4135 V N 1.205 121.110 119.914 -0.014 0.000 2.343 4135 V HA -0.274 3.846 4.120 0.000 0.000 0.247 4135 V C 2.389 178.444 176.094 -0.066 0.000 1.051 4135 V CA 1.509 63.777 62.300 -0.054 0.000 1.036 4135 V CB -0.545 31.230 31.823 -0.079 0.000 0.654 4135 V HN 0.373 nan 8.190 nan 0.000 0.451 4136 L N 0.269 121.476 121.223 -0.026 0.000 2.093 4136 L HA -0.171 4.169 4.340 0.000 0.000 0.208 4136 L C 2.973 179.827 176.870 -0.026 0.000 1.085 4136 L CA 2.060 56.885 54.840 -0.025 0.000 0.755 4136 L CB -0.902 41.150 42.059 -0.011 0.000 0.904 4136 L HN 0.429 nan 8.230 nan 0.000 0.435 4137 K N 0.956 121.348 120.400 -0.013 0.000 2.057 4137 K HA -0.191 4.129 4.320 0.000 0.000 0.206 4137 K C 1.864 178.453 176.600 -0.019 0.000 1.050 4137 K CA 1.543 57.826 56.287 -0.008 0.000 0.935 4137 K CB -0.978 31.525 32.500 0.006 0.000 0.715 4137 K HN 0.703 nan 8.250 nan 0.000 0.439 4138 E N 0.323 120.508 120.200 -0.025 0.000 2.153 4138 E HA -0.189 4.161 4.350 0.000 0.000 0.194 4138 E C 1.778 178.355 176.600 -0.037 0.000 0.988 4138 E CA 0.925 57.308 56.400 -0.029 0.000 0.811 4138 E CB -0.118 29.563 29.700 -0.031 0.000 0.746 4138 E HN 0.571 nan 8.360 nan 0.000 0.466 4139 R N 0.340 120.810 120.500 -0.050 0.000 2.334 4139 R HA 0.140 4.480 4.340 0.000 0.000 0.220 4139 R C 0.745 177.012 176.300 -0.055 0.000 0.917 4139 R CA 0.371 56.437 56.100 -0.057 0.000 1.073 4139 R CB 0.439 30.693 30.300 -0.077 0.000 1.056 4139 R HN 0.332 nan 8.270 nan 0.000 0.506 4140 G N 1.744 110.517 108.800 -0.045 0.000 2.356 4140 G HA2 -0.255 3.705 3.960 0.000 0.000 0.296 4140 G HA3 -0.255 3.705 3.960 0.000 0.000 0.296 4140 G C 0.311 175.172 174.900 -0.064 0.000 1.022 4140 G CA 0.163 45.236 45.100 -0.046 0.000 0.961 4140 G HN 0.365 nan 8.290 nan 0.000 0.510 4141 L N -1.413 119.775 121.223 -0.060 0.000 3.014 4141 L HA 0.374 4.714 4.340 0.000 0.000 0.263 4141 L C 2.192 179.030 176.870 -0.054 0.000 1.207 4141 L CA -0.341 54.452 54.840 -0.078 0.000 1.017 4141 L CB 0.250 42.268 42.059 -0.069 0.000 1.360 4141 L HN 0.305 nan 8.230 nan 0.000 0.560 4142 M N 0.090 119.677 119.600 -0.021 0.000 2.549 4142 M HA -0.068 4.412 4.480 0.000 0.000 0.260 4142 M C 1.453 177.784 176.300 0.052 0.000 1.076 4142 M CA 1.569 56.885 55.300 0.026 0.000 1.090 4142 M CB -0.065 32.569 32.600 0.056 0.000 1.418 4142 M HN -0.074 nan 8.290 nan 0.000 0.486 4143 K N -0.654 119.742 120.400 -0.006 0.000 2.440 4143 K HA 0.185 4.505 4.320 0.000 0.000 0.206 4143 K C 0.188 176.725 176.600 -0.104 0.000 1.025 4143 K CA 0.090 56.373 56.287 -0.008 0.000 1.135 4143 K CB 0.584 33.064 32.500 -0.034 0.000 0.856 4143 K HN 0.126 nan 8.250 nan 0.000 0.502 4144 K N 0.920 121.245 120.400 -0.125 0.000 2.592 4144 K HA 0.180 4.500 4.320 0.000 0.000 0.203 4144 K C -0.241 176.387 176.600 0.046 0.000 1.070 4144 K CA -0.139 56.001 56.287 -0.247 0.000 1.062 4144 K CB 0.981 33.236 32.500 -0.409 0.000 0.814 4144 K HN -0.017 nan 8.250 nan 0.000 0.502 4145 K N 0.385 120.820 120.400 0.058 0.000 2.447 4145 K HA 0.110 4.431 4.320 0.000 0.000 0.281 4145 K C 0.990 177.659 176.600 0.114 0.000 1.031 4145 K CA 1.106 57.389 56.287 -0.007 0.000 1.019 4145 K CB 0.386 32.841 32.500 -0.075 0.000 0.918 4145 K HN 0.439 nan 8.250 nan 0.000 0.476 4146 G N 3.008 111.800 108.800 -0.014 0.000 2.259 4146 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 4146 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 4146 G C -0.171 174.882 174.900 0.255 0.000 1.001 4146 G CA -0.632 44.549 45.100 0.135 0.000 0.627 4146 G HN 0.450 nan 8.290 nan 0.000 0.501 4147 F N 1.466 121.451 119.950 0.057 0.000 2.406 4147 F HA 0.496 5.023 4.527 0.000 0.000 0.327 4147 F C -0.306 175.584 175.800 0.150 0.000 1.153 4147 F CA -1.436 56.596 58.000 0.053 0.000 1.218 4147 F CB 0.733 39.710 39.000 -0.037 0.000 1.215 4147 F HN -0.164 nan 8.300 nan 0.000 0.570 4148 P HA -0.251 nan 4.420 nan 0.000 0.215 4148 P C 1.354 178.828 177.300 0.291 0.000 1.163 4148 P CA 2.113 65.190 63.100 -0.039 0.000 0.894 4148 P CB -0.045 31.218 31.700 -0.727 0.000 0.791 4149 E N 0.073 120.357 120.200 0.140 0.000 2.401 4149 E HA -0.131 4.219 4.350 0.000 0.000 0.199 4149 E C 1.473 178.223 176.600 0.250 0.000 1.023 4149 E CA 1.620 58.094 56.400 0.124 0.000 0.859 4149 E CB -1.098 28.431 29.700 -0.285 0.000 0.780 4149 E HN 0.363 nan 8.360 nan 0.000 0.523 4150 S N -0.979 114.842 115.700 0.201 0.000 2.593 4150 S HA 0.044 4.514 4.470 0.000 0.000 0.217 4150 S C 0.245 174.823 174.600 -0.036 0.000 0.966 4150 S CA -0.588 57.661 58.200 0.082 0.000 0.914 4150 S CB -0.449 62.688 63.200 -0.105 0.000 0.776 4150 S HN 0.187 nan 8.310 nan 0.000 0.523 4151 Y N 1.372 121.755 120.300 0.139 0.000 2.387 4151 Y HA 0.507 5.057 4.550 0.000 0.000 0.330 4151 Y C 0.139 175.886 175.900 -0.256 0.000 1.133 4151 Y CA -1.206 56.864 58.100 -0.050 0.000 1.152 4151 Y CB 0.951 39.458 38.460 0.078 0.000 1.215 4151 Y HN 0.048 nan 8.280 nan 0.000 0.466 4152 D N 2.847 123.089 120.400 -0.264 0.000 2.631 4152 D HA 0.074 4.714 4.640 0.000 0.000 0.227 4152 D C 0.897 177.178 176.300 -0.032 0.000 1.146 4152 D CA 0.078 53.940 54.000 -0.231 0.000 1.009 4152 D CB 0.243 40.920 40.800 -0.205 0.000 1.057 4152 D HN 0.488 nan 8.370 nan 0.000 0.509 4153 M N 1.237 120.754 119.600 -0.137 0.000 2.108 4153 M HA -0.167 4.313 4.480 0.000 0.000 0.261 4153 M C 1.490 177.537 176.300 -0.422 0.000 1.066 4153 M CA 1.316 56.359 55.300 -0.428 0.000 1.107 4153 M CB -0.715 31.324 32.600 -0.934 0.000 1.356 4153 M HN 0.500 nan 8.290 nan 0.000 0.406 4154 H N -1.091 117.868 119.070 -0.184 0.000 2.422 4154 H HA -0.140 4.416 4.556 0.000 0.000 0.298 4154 H C 2.218 177.517 175.328 -0.049 0.000 1.098 4154 H CA 1.585 57.562 56.048 -0.118 0.000 1.315 4154 H CB -0.377 29.372 29.762 -0.022 0.000 1.382 4154 H HN 0.399 nan 8.280 nan 0.000 0.523 4155 R N 0.434 121.013 120.500 0.133 0.000 2.073 4155 R HA -0.096 4.244 4.340 0.000 0.000 0.229 4155 R C 2.311 178.731 176.300 0.200 0.000 1.120 4155 R CA 0.726 56.948 56.100 0.202 0.000 0.967 4155 R CB -0.181 30.276 30.300 0.262 0.000 0.862 4155 R HN 0.146 nan 8.270 nan 0.000 0.436 4156 L N 0.628 121.836 121.223 -0.025 0.000 2.046 4156 L HA -0.112 4.228 4.340 0.000 0.000 0.208 4156 L C 2.006 178.725 176.870 -0.251 0.000 1.077 4156 L CA 1.531 56.056 54.840 -0.526 0.000 0.747 4156 L CB -0.422 41.216 42.059 -0.701 0.000 0.896 4156 L HN -0.007 nan 8.230 nan 0.000 0.432 4157 V N 0.060 119.858 119.914 -0.194 0.000 2.295 4157 V HA -0.327 3.794 4.120 0.000 0.000 0.246 4157 V C 2.665 178.679 176.094 -0.132 0.000 1.049 4157 V CA 2.199 64.426 62.300 -0.121 0.000 1.024 4157 V CB -0.742 31.021 31.823 -0.100 0.000 0.648 4157 V HN 0.549 nan 8.190 nan 0.000 0.447 4158 K N -0.727 119.639 120.400 -0.057 0.000 2.147 4158 K HA -0.212 4.108 4.320 0.000 0.000 0.205 4158 K C 2.078 178.639 176.600 -0.066 0.000 1.049 4158 K CA 1.564 57.809 56.287 -0.070 0.000 0.936 4158 K CB -0.251 32.263 32.500 0.023 0.000 0.722 4158 K HN 0.404 nan 8.250 nan 0.000 0.446 4159 F N 1.301 121.193 119.950 -0.098 0.000 2.075 4159 F HA -0.225 4.302 4.527 0.000 0.000 0.297 4159 F C 1.862 177.579 175.800 -0.138 0.000 1.113 4159 F CA 1.909 59.881 58.000 -0.046 0.000 1.218 4159 F CB -0.495 38.532 39.000 0.045 0.000 0.984 4159 F HN -0.076 nan 8.300 nan 0.000 0.472 4160 V N -2.247 117.542 119.914 -0.208 0.000 2.667 4160 V HA -0.138 3.983 4.120 0.000 0.000 0.252 4160 V C 2.367 178.126 176.094 -0.557 0.000 1.065 4160 V CA 1.768 63.880 62.300 -0.314 0.000 1.083 4160 V CB -1.298 30.488 31.823 -0.062 0.000 0.692 4160 V HN 0.457 nan 8.190 nan 0.000 0.468 4161 S N 0.672 115.876 115.700 -0.825 0.000 2.355 4161 S HA -0.232 4.238 4.470 0.000 0.000 0.222 4161 S C 1.778 176.046 174.600 -0.552 0.000 1.031 4161 S CA 1.861 59.346 58.200 -1.192 0.000 0.993 4161 S CB -0.604 61.998 63.200 -0.996 0.000 0.859 4161 S HN 0.715 nan 8.310 nan 0.000 0.453 4162 D N 1.269 121.437 120.400 -0.387 0.000 2.117 4162 D HA -0.049 4.591 4.640 0.000 0.000 0.197 4162 D C 1.989 178.135 176.300 -0.256 0.000 0.987 4162 D CA 0.919 54.764 54.000 -0.258 0.000 0.829 4162 D CB -0.458 40.220 40.800 -0.202 0.000 0.961 4162 D HN 0.380 nan 8.370 nan 0.000 0.460 4163 L N 0.131 121.143 121.223 -0.351 0.000 2.046 4163 L HA -0.163 4.177 4.340 0.000 0.000 0.208 4163 L C 2.046 178.819 176.870 -0.162 0.000 1.077 4163 L CA 1.059 55.732 54.840 -0.279 0.000 0.747 4163 L CB -0.159 41.684 42.059 -0.359 0.000 0.896 4163 L HN -0.126 nan 8.230 nan 0.000 0.432 4164 K N -0.669 119.635 120.400 -0.160 0.000 2.525 4164 K HA 0.029 4.349 4.320 0.000 0.000 0.192 4164 K C 1.677 178.262 176.600 -0.024 0.000 1.029 4164 K CA 0.325 56.590 56.287 -0.038 0.000 1.029 4164 K CB 0.117 32.682 32.500 0.108 0.000 0.814 4164 K HN 0.049 nan 8.250 nan 0.000 0.503 4165 S N -1.492 114.161 115.700 -0.079 0.000 2.511 4165 S HA 0.192 4.662 4.470 0.000 0.000 0.214 4165 S C 1.040 175.617 174.600 -0.037 0.000 0.997 4165 S CA 0.390 58.561 58.200 -0.049 0.000 0.908 4165 S CB 0.843 63.998 63.200 -0.076 0.000 0.803 4165 S HN 0.478 nan 8.310 nan 0.000 0.504 4166 G N 1.272 110.043 108.800 -0.047 0.000 2.159 4166 G HA2 -0.232 3.728 3.960 0.000 0.000 0.227 4166 G HA3 -0.232 3.728 3.960 0.000 0.000 0.227 4166 G C 0.105 174.982 174.900 -0.038 0.000 0.986 4166 G CA -0.116 44.965 45.100 -0.032 0.000 0.651 4166 G HN 0.375 nan 8.290 nan 0.000 0.523 4167 V N 2.809 122.687 119.914 -0.060 0.000 2.475 4167 V HA 0.093 4.213 4.120 0.000 0.000 0.292 4167 V C 0.628 176.694 176.094 -0.045 0.000 1.003 4167 V CA -0.009 62.260 62.300 -0.053 0.000 1.120 4167 V CB 0.792 32.571 31.823 -0.072 0.000 0.937 4167 V HN 0.342 nan 8.190 nan 0.000 0.476 4168 P HA -0.142 nan 4.420 nan 0.000 0.214 4168 P C 0.208 177.503 177.300 -0.008 0.000 1.163 4168 P CA 1.315 64.408 63.100 -0.011 0.000 0.889 4168 P CB 0.253 31.951 31.700 -0.002 0.000 0.790 4169 N N -0.260 118.438 118.700 -0.003 0.000 2.399 4169 N HA 0.350 5.090 4.740 0.000 0.000 0.280 4169 N C -0.954 174.565 175.510 0.015 0.000 1.008 4169 N CA -0.430 52.628 53.050 0.013 0.000 0.894 4169 N CB 2.860 41.361 38.487 0.023 0.000 1.273 4169 N HN -0.144 nan 8.380 nan 0.000 0.486 4170 V N 1.210 121.143 119.914 0.032 0.000 2.604 4170 V HA 0.499 4.619 4.120 0.000 0.000 0.305 4170 V C 0.256 176.486 176.094 0.226 0.000 1.043 4170 V CA -0.567 61.774 62.300 0.068 0.000 0.888 4170 V CB 2.067 33.819 31.823 -0.119 0.000 0.995 4170 V HN 0.550 nan 8.190 nan 0.000 0.429 4171 T N 3.426 118.127 114.554 0.246 0.000 2.859 4171 T HA 0.782 5.133 4.350 0.000 0.000 0.281 4171 T C -0.132 174.698 174.700 0.216 0.000 1.005 4171 T CA -0.289 61.933 62.100 0.203 0.000 1.025 4171 T CB 1.669 70.591 68.868 0.090 0.000 0.977 4171 T HN 1.026 nan 8.240 nan 0.000 0.458 4172 A N 4.371 127.199 122.820 0.013 0.000 2.386 4172 A HA 0.859 5.180 4.320 0.000 0.000 0.311 4172 A C -2.765 174.584 177.584 -0.392 0.000 1.068 4172 A CA -2.019 49.817 52.037 -0.335 0.000 0.743 4172 A CB 1.221 19.899 19.000 -0.537 0.000 1.258 4172 A HN 0.544 nan 8.150 nan 0.000 0.429 4173 P HA 0.375 nan 4.420 nan 0.000 0.274 4173 P C -0.668 176.428 177.300 -0.340 0.000 1.237 4173 P CA -0.070 62.768 63.100 -0.437 0.000 0.793 4173 P CB 1.128 32.522 31.700 -0.510 0.000 0.977 4174 V N 2.215 122.025 119.914 -0.174 0.000 2.604 4174 V HA 0.301 4.421 4.120 0.000 0.000 0.305 4174 V C -0.557 175.527 176.094 -0.017 0.000 1.043 4174 V CA -0.626 61.626 62.300 -0.080 0.000 0.888 4174 V CB 1.617 33.408 31.823 -0.053 0.000 0.995 4174 V HN 0.499 nan 8.190 nan 0.000 0.429 4175 Y N 2.444 122.669 120.300 -0.125 0.000 2.420 4175 Y HA 0.655 5.206 4.550 0.000 0.000 0.334 4175 Y C 0.294 176.117 175.900 -0.129 0.000 1.094 4175 Y CA -0.336 57.671 58.100 -0.155 0.000 1.126 4175 Y CB 2.079 40.417 38.460 -0.203 0.000 1.217 4175 Y HN 0.584 nan 8.280 nan 0.000 0.462 4176 S N 3.690 118.952 115.700 -0.729 0.000 2.669 4176 S HA 0.255 4.726 4.470 0.000 0.000 0.315 4176 S C -0.094 174.158 174.600 -0.581 0.000 1.106 4176 S CA -0.488 57.447 58.200 -0.442 0.000 1.107 4176 S CB 0.007 63.050 63.200 -0.262 0.000 0.990 4176 S HN 0.939 nan 8.310 nan 0.000 0.471 4177 H N 3.363 122.329 119.070 -0.173 0.000 2.518 4177 H HA 0.044 4.601 4.556 0.000 0.000 0.289 4177 H C 1.274 176.606 175.328 0.007 0.000 1.051 4177 H CA 1.304 57.345 56.048 -0.011 0.000 1.280 4177 H CB 0.235 30.060 29.762 0.104 0.000 1.380 4177 H HN 0.436 nan 8.280 nan 0.000 0.566 4178 L N -0.056 121.223 121.223 0.093 0.000 2.209 4178 L HA -0.025 4.315 4.340 0.000 0.000 0.207 4178 L C 1.982 178.943 176.870 0.152 0.000 1.094 4178 L CA 1.090 56.016 54.840 0.143 0.000 0.790 4178 L CB -0.103 42.020 42.059 0.107 0.000 0.932 4178 L HN 0.435 nan 8.230 nan 0.000 0.447 4179 I N -5.873 114.708 120.570 0.018 0.000 3.968 4179 I HA 0.098 4.269 4.170 0.000 0.000 0.328 4179 I C 0.475 176.581 176.117 -0.018 0.000 1.290 4179 I CA -0.323 60.987 61.300 0.017 0.000 1.163 4179 I CB -0.055 37.913 38.000 -0.053 0.000 1.024 4179 I HN 0.127 nan 8.210 nan 0.000 0.413 4180 Y N 2.559 122.655 120.300 -0.341 0.000 3.234 4180 Y HA -0.294 4.256 4.550 0.000 0.000 0.207 4180 Y C -0.740 174.910 175.900 -0.416 0.000 1.316 4180 Y CA 0.859 58.666 58.100 -0.489 0.000 1.309 4180 Y CB -1.672 36.209 38.460 -0.964 0.000 1.408 4180 Y HN 0.803 nan 8.280 nan 0.000 0.544 4181 D N -1.709 118.262 120.400 -0.715 0.000 2.755 4181 D HA 0.444 5.085 4.640 0.000 0.000 0.277 4181 D C -1.134 174.903 176.300 -0.439 0.000 1.261 4181 D CA 0.031 53.789 54.000 -0.404 0.000 0.759 4181 D CB 1.204 41.901 40.800 -0.171 0.000 1.279 4181 D HN 0.040 nan 8.370 nan 0.000 0.420 4182 V N 1.883 121.754 119.914 -0.072 0.000 2.655 4182 V HA 0.214 4.334 4.120 0.000 0.000 0.300 4182 V C 0.613 176.650 176.094 -0.096 0.000 1.044 4182 V CA -0.039 62.248 62.300 -0.021 0.000 1.095 4182 V CB 0.609 32.441 31.823 0.015 0.000 0.952 4182 V HN 0.369 nan 8.190 nan 0.000 0.485 4183 I N 8.398 128.908 120.570 -0.100 0.000 2.347 4183 I HA 0.147 4.317 4.170 0.000 0.000 0.294 4183 I C -0.539 175.541 176.117 -0.061 0.000 1.090 4183 I CA -1.335 59.914 61.300 -0.085 0.000 1.314 4183 I CB 0.968 38.921 38.000 -0.078 0.000 1.423 4183 I HN 0.574 nan 8.210 nan 0.000 0.503 4184 P HA -0.229 nan 4.420 nan 0.000 0.219 4184 P C 0.577 177.857 177.300 -0.033 0.000 1.158 4184 P CA 2.228 65.307 63.100 -0.035 0.000 0.895 4184 P CB 0.061 31.745 31.700 -0.027 0.000 0.792 4185 D N -1.288 119.093 120.400 -0.032 0.000 2.804 4185 D HA 0.415 5.055 4.640 0.000 0.000 0.308 4185 D C 1.061 177.344 176.300 -0.028 0.000 1.371 4185 D CA 0.100 54.084 54.000 -0.027 0.000 0.823 4185 D CB -0.305 40.484 40.800 -0.018 0.000 1.126 4185 D HN 0.287 nan 8.370 nan 0.000 0.467 4186 G N 0.437 109.213 108.800 -0.039 0.000 4.044 4186 G HA2 0.386 4.346 3.960 0.000 0.000 0.297 4186 G HA3 0.386 4.346 3.960 0.000 0.000 0.297 4186 G C -0.415 174.459 174.900 -0.044 0.000 1.101 4186 G CA -0.260 44.818 45.100 -0.036 0.000 0.884 4186 G HN 0.256 nan 8.290 nan 0.000 0.538 4187 D N 1.106 121.476 120.400 -0.049 0.000 2.458 4187 D HA 0.146 4.786 4.640 0.000 0.000 0.243 4187 D C 0.474 176.755 176.300 -0.032 0.000 1.146 4187 D CA 0.646 54.609 54.000 -0.062 0.000 0.877 4187 D CB 1.284 42.051 40.800 -0.056 0.000 1.176 4187 D HN 0.190 nan 8.370 nan 0.000 0.461 4188 K N 1.455 121.835 120.400 -0.033 0.000 2.211 4188 K HA 0.288 4.608 4.320 0.000 0.000 0.275 4188 K C -0.855 175.774 176.600 0.048 0.000 1.024 4188 K CA -0.461 55.830 56.287 0.007 0.000 0.887 4188 K CB 0.729 33.234 32.500 0.008 0.000 1.084 4188 K HN 0.251 nan 8.250 nan 0.000 0.463 4189 T N 3.526 118.116 114.554 0.060 0.000 2.733 4189 T HA 0.199 4.549 4.350 0.000 0.000 0.294 4189 T C -0.504 174.257 174.700 0.102 0.000 0.956 4189 T CA -0.556 61.596 62.100 0.086 0.000 0.987 4189 T CB 0.974 69.877 68.868 0.059 0.000 0.920 4189 T HN 0.291 nan 8.240 nan 0.000 0.470 4190 V N 5.713 125.715 119.914 0.147 0.000 2.406 4190 V HA 0.440 4.560 4.120 0.000 0.000 0.272 4190 V C 0.593 176.735 176.094 0.080 0.000 1.043 4190 V CA -0.496 61.885 62.300 0.135 0.000 0.915 4190 V CB 0.883 32.832 31.823 0.210 0.000 0.988 4190 V HN 0.775 nan 8.190 nan 0.000 0.466 4194 D N 0.250 120.693 120.400 0.072 0.000 2.149 4194 D HA 0.088 4.728 4.640 0.000 0.000 0.201 4194 D C 0.637 176.980 176.300 0.071 0.000 0.972 4194 D CA 1.273 55.321 54.000 0.081 0.000 0.835 4194 D CB 0.767 41.635 40.800 0.113 0.000 0.966 4194 D HN 0.340 nan 8.370 nan 0.000 0.476 4195 I N 0.620 121.224 120.570 0.057 0.000 2.619 4195 I HA 0.293 4.464 4.170 0.000 0.000 0.292 4195 I C -1.063 175.101 176.117 0.077 0.000 1.100 4195 I CA -0.856 60.480 61.300 0.060 0.000 1.043 4195 I CB 3.082 41.062 38.000 -0.033 0.000 1.239 4195 I HN -0.224 nan 8.210 nan 0.000 0.420 4196 L N 7.058 128.338 121.223 0.095 0.000 2.349 4196 L HA 0.620 4.960 4.340 0.000 0.000 0.278 4196 L C -1.193 175.744 176.870 0.111 0.000 0.996 4196 L CA -0.219 54.684 54.840 0.104 0.000 0.825 4196 L CB 1.483 43.603 42.059 0.102 0.000 1.243 4196 L HN 0.455 nan 8.230 nan 0.000 0.412 4197 I N 5.799 126.435 120.570 0.111 0.000 2.312 4197 I HA 0.267 4.437 4.170 0.000 0.000 0.290 4197 I C -0.844 175.340 176.117 0.112 0.000 1.008 4197 I CA -0.555 60.809 61.300 0.106 0.000 1.226 4197 I CB 1.635 39.689 38.000 0.091 0.000 1.371 4197 I HN 0.436 nan 8.210 nan 0.000 0.468 4198 L N 7.757 129.042 121.223 0.105 0.000 2.276 4198 L HA 0.392 4.732 4.340 0.000 0.000 0.286 4198 L C -0.176 176.734 176.870 0.066 0.000 1.024 4198 L CA 0.089 54.983 54.840 0.091 0.000 0.826 4198 L CB 0.904 43.013 42.059 0.082 0.000 1.211 4198 L HN 0.512 nan 8.230 nan 0.000 0.422 4199 E N 4.270 124.509 120.200 0.066 0.000 2.151 4199 E HA 0.722 5.072 4.350 0.000 0.000 0.275 4199 E C -0.954 175.678 176.600 0.054 0.000 0.936 4199 E CA -0.515 55.921 56.400 0.061 0.000 0.777 4199 E CB 1.622 31.366 29.700 0.074 0.000 1.108 4199 E HN 0.808 nan 8.360 nan 0.000 0.401 4200 G N 2.908 111.729 108.800 0.036 0.000 2.473 4200 G HA2 0.192 4.152 3.960 0.000 0.000 0.298 4200 G HA3 0.192 4.152 3.960 0.000 0.000 0.298 4200 G C 0.202 175.106 174.900 0.007 0.000 1.575 4200 G CA -0.330 44.788 45.100 0.030 0.000 0.846 4200 G HN 0.476 nan 8.290 nan 0.000 0.585 4201 L N -0.101 121.141 121.223 0.031 0.000 2.353 4201 L HA 0.132 4.473 4.340 0.000 0.000 0.220 4201 L C 1.551 178.411 176.870 -0.017 0.000 1.133 4201 L CA 2.041 56.891 54.840 0.018 0.000 0.798 4201 L CB -0.355 41.741 42.059 0.062 0.000 0.922 4201 L HN 0.500 nan 8.230 nan 0.000 0.445 4202 N N 0.074 118.718 118.700 -0.093 0.000 2.214 4202 N HA -0.005 4.735 4.740 0.000 0.000 0.214 4202 N C 1.305 176.748 175.510 -0.110 0.000 1.132 4202 N CA 0.600 53.568 53.050 -0.137 0.000 0.856 4202 N CB -0.375 37.908 38.487 -0.340 0.000 1.020 4202 N HN 0.410 nan 8.380 nan 0.000 0.509 4203 V N -2.100 117.772 119.914 -0.070 0.000 3.078 4203 V HA 0.043 4.163 4.120 0.000 0.000 0.265 4203 V C 1.555 177.648 176.094 -0.001 0.000 1.122 4203 V CA 1.032 63.306 62.300 -0.044 0.000 1.141 4203 V CB -0.740 31.074 31.823 -0.015 0.000 0.735 4203 V HN 0.199 nan 8.190 nan 0.000 0.498 4204 L N -0.766 120.468 121.223 0.017 0.000 2.640 4204 L HA 0.278 4.619 4.340 0.000 0.000 0.230 4204 L C 1.392 178.253 176.870 -0.015 0.000 1.123 4204 L CA 0.025 54.879 54.840 0.022 0.000 0.900 4204 L CB 0.039 42.133 42.059 0.059 0.000 1.146 4204 L HN 0.378 nan 8.230 nan 0.000 0.484 4205 Q N 0.074 119.866 119.800 -0.013 0.000 2.471 4205 Q HA 0.239 4.579 4.340 0.000 0.000 0.223 4205 Q C 0.258 176.209 176.000 -0.081 0.000 1.045 4205 Q CA 0.214 56.006 55.803 -0.019 0.000 0.956 4205 Q CB 1.270 30.058 28.738 0.084 0.000 1.249 4205 Q HN 0.298 nan 8.270 nan 0.000 0.549 4206 S N -1.792 113.791 115.700 -0.196 0.000 2.973 4206 S HA 0.476 4.946 4.470 0.000 0.000 0.317 4206 S C 0.924 175.187 174.600 -0.561 0.000 1.196 4206 S CA -0.413 57.404 58.200 -0.638 0.000 0.894 4206 S CB 0.445 62.724 63.200 -1.536 0.000 1.292 4206 S HN 0.680 nan 8.310 nan 0.000 0.614 4207 G N 1.453 109.649 108.800 -1.006 0.000 2.442 4207 G HA2 -0.224 3.736 3.960 0.000 0.000 0.219 4207 G HA3 -0.224 3.736 3.960 0.000 0.000 0.219 4207 G C 1.452 176.191 174.900 -0.269 0.000 1.141 4207 G CA 1.365 46.056 45.100 -0.683 0.000 0.763 4207 G HN 0.892 nan 8.290 nan 0.000 0.554 4208 M N -0.375 119.072 119.600 -0.256 0.000 2.358 4208 M HA 0.038 4.518 4.480 0.000 0.000 0.264 4208 M C 1.034 177.284 176.300 -0.084 0.000 1.064 4208 M CA 1.869 57.087 55.300 -0.135 0.000 1.093 4208 M CB -0.277 32.239 32.600 -0.140 0.000 1.401 4208 M HN -0.084 nan 8.290 nan 0.000 0.440 4209 D N -0.201 120.168 120.400 -0.051 0.000 2.355 4209 D HA 0.003 4.644 4.640 0.000 0.000 0.218 4209 D C -0.231 175.892 176.300 -0.295 0.000 1.004 4209 D CA 0.808 54.735 54.000 -0.122 0.000 0.880 4209 D CB 0.152 40.892 40.800 -0.101 0.000 0.911 4209 D HN 0.530 nan 8.370 nan 0.000 0.528 4210 Y N 0.138 120.405 120.300 -0.055 0.000 2.480 4210 Y HA 0.215 4.765 4.550 0.000 0.000 0.356 4210 Y C -1.636 174.123 175.900 -0.235 0.000 0.922 4210 Y CA -2.085 55.926 58.100 -0.149 0.000 1.146 4210 Y CB 0.988 39.339 38.460 -0.182 0.000 1.185 4210 Y HN -0.092 nan 8.280 nan 0.000 0.624 4211 P HA -0.234 nan 4.420 nan 0.000 0.219 4211 P C 1.159 178.497 177.300 0.063 0.000 1.146 4211 P CA 1.855 64.981 63.100 0.043 0.000 0.808 4211 P CB 0.137 31.878 31.700 0.068 0.000 0.779 4212 H N -1.071 118.051 119.070 0.086 0.000 2.495 4212 H HA 0.082 4.639 4.556 0.000 0.000 0.287 4212 H C -0.099 175.314 175.328 0.141 0.000 1.033 4212 H CA 0.848 56.954 56.048 0.097 0.000 1.307 4212 H CB -0.322 29.492 29.762 0.085 0.000 1.401 4212 H HN 0.130 nan 8.280 nan 0.000 0.555 4213 D N 1.180 121.422 120.400 -0.263 0.000 3.036 4213 D HA 0.157 4.797 4.640 0.000 0.000 0.244 4213 D C -2.966 173.339 176.300 0.008 0.000 1.337 4213 D CA -1.569 52.417 54.000 -0.024 0.000 0.829 4213 D CB 1.123 41.959 40.800 0.061 0.000 1.478 4213 D HN 0.098 nan 8.370 nan 0.000 0.570 4214 P HA 0.123 nan 4.420 nan 0.000 0.268 4214 P C -0.403 176.886 177.300 -0.019 0.000 1.205 4214 P CA 0.106 63.173 63.100 -0.056 0.000 0.771 4214 P CB 0.568 32.203 31.700 -0.109 0.000 0.858 4215 H N 1.363 120.319 119.070 -0.190 0.000 2.569 4215 H HA 0.371 4.927 4.556 0.000 0.000 0.357 4215 H C 0.114 175.310 175.328 -0.220 0.000 1.153 4215 H CA -0.705 55.290 56.048 -0.089 0.000 1.193 4215 H CB 1.216 30.957 29.762 -0.035 0.000 1.602 4215 H HN 0.520 nan 8.280 nan 0.000 0.523 4216 H N 1.152 120.337 119.070 0.192 0.000 2.652 4216 H HA 0.265 4.821 4.556 0.000 0.000 0.274 4216 H C -0.133 175.035 175.328 -0.266 0.000 1.021 4216 H CA 0.097 56.166 56.048 0.035 0.000 1.187 4216 H CB 1.318 31.090 29.762 0.017 0.000 1.505 4216 H HN 0.187 nan 8.280 nan 0.000 0.530 4217 V N 2.168 122.034 119.914 -0.081 0.000 2.483 4217 V HA 0.243 4.363 4.120 0.000 0.000 0.297 4217 V C -0.373 175.717 176.094 -0.007 0.000 1.027 4217 V CA -0.740 61.384 62.300 -0.294 0.000 0.855 4217 V CB 1.483 33.315 31.823 0.014 0.000 0.995 4217 V HN 0.046 nan 8.190 nan 0.000 0.424 4218 F N 2.163 122.172 119.950 0.098 0.000 2.411 4218 F HA 0.440 4.967 4.527 0.000 0.000 0.324 4218 F C 1.559 177.426 175.800 0.112 0.000 1.086 4218 F CA -0.944 57.139 58.000 0.138 0.000 1.028 4218 F CB 0.933 39.964 39.000 0.051 0.000 1.284 4218 F HN 0.185 nan 8.300 nan 0.000 0.501 4219 V N 0.682 120.774 119.914 0.298 0.000 2.282 4219 V HA -0.318 3.802 4.120 0.000 0.000 0.249 4219 V C 2.307 178.500 176.094 0.165 0.000 1.057 4219 V CA 2.514 64.934 62.300 0.199 0.000 1.032 4219 V CB -0.915 30.937 31.823 0.049 0.000 0.645 4219 V HN 0.940 nan 8.190 nan 0.000 0.447 4220 S N -0.301 115.476 115.700 0.130 0.000 2.419 4220 S HA -0.250 4.220 4.470 0.000 0.000 0.235 4220 S C 1.509 176.084 174.600 -0.041 0.000 1.019 4220 S CA 1.606 59.840 58.200 0.057 0.000 0.982 4220 S CB -0.560 62.685 63.200 0.075 0.000 0.789 4220 S HN 0.632 nan 8.310 nan 0.000 0.490 4221 D N 0.554 120.863 120.400 -0.152 0.000 2.378 4221 D HA 0.067 4.707 4.640 0.000 0.000 0.222 4221 D C 0.240 176.115 176.300 -0.709 0.000 0.980 4221 D CA 0.719 54.433 54.000 -0.477 0.000 0.907 4221 D CB -0.186 40.182 40.800 -0.721 0.000 0.899 4221 D HN 0.606 nan 8.370 nan 0.000 0.527 4222 F N -0.217 119.711 119.950 -0.036 0.000 2.735 4222 F HA 0.188 4.715 4.527 0.000 0.000 0.308 4222 F C 0.146 175.903 175.800 -0.073 0.000 1.112 4222 F CA -0.372 57.594 58.000 -0.057 0.000 1.235 4222 F CB 0.990 39.954 39.000 -0.059 0.000 1.027 4222 F HN -0.350 nan 8.300 nan 0.000 0.528 4223 V N 0.918 120.847 119.914 0.025 0.000 2.495 4223 V HA 0.176 4.296 4.120 0.000 0.000 0.298 4223 V C 0.285 176.321 176.094 -0.096 0.000 1.031 4223 V CA -0.639 61.647 62.300 -0.023 0.000 0.871 4223 V CB 1.835 33.662 31.823 0.007 0.000 0.988 4223 V HN 0.171 nan 8.190 nan 0.000 0.432 4224 D N 2.722 122.992 120.400 -0.216 0.000 2.162 4224 D HA 0.028 4.669 4.640 0.000 0.000 0.205 4224 D C -0.041 176.241 176.300 -0.030 0.000 0.964 4224 D CA 1.624 55.453 54.000 -0.284 0.000 0.847 4224 D CB 0.579 40.782 40.800 -0.996 0.000 0.988 4224 D HN 0.389 nan 8.370 nan 0.000 0.480 4225 F N 0.827 120.692 119.950 -0.143 0.000 2.561 4225 F HA 0.219 4.746 4.527 0.000 0.000 0.313 4225 F C -0.812 174.983 175.800 -0.009 0.000 1.126 4225 F CA -0.775 57.207 58.000 -0.029 0.000 0.918 4225 F CB 1.849 40.880 39.000 0.053 0.000 1.199 4225 F HN -0.294 nan 8.300 nan 0.000 0.444 4226 S N 6.002 121.549 115.700 -0.255 0.000 2.513 4226 S HA 0.831 5.301 4.470 0.000 0.000 0.299 4226 S C -1.054 173.510 174.600 -0.061 0.000 1.087 4226 S CA -0.665 57.499 58.200 -0.060 0.000 1.012 4226 S CB 1.727 64.895 63.200 -0.053 0.000 1.044 4226 S HN 0.549 nan 8.310 nan 0.000 0.485 4227 I N 2.686 123.325 120.570 0.114 0.000 2.509 4227 I HA 0.391 4.561 4.170 0.000 0.000 0.293 4227 I C -1.424 174.788 176.117 0.158 0.000 1.020 4227 I CA -0.858 60.535 61.300 0.156 0.000 1.088 4227 I CB 1.948 40.074 38.000 0.209 0.000 1.267 4227 I HN 0.821 nan 8.210 nan 0.000 0.430 4228 Y N 6.518 126.840 120.300 0.038 0.000 2.328 4228 Y HA 0.537 5.087 4.550 0.000 0.000 0.333 4228 Y C -0.691 175.236 175.900 0.046 0.000 0.958 4228 Y CA -0.778 57.343 58.100 0.036 0.000 1.167 4228 Y CB 1.232 39.699 38.460 0.011 0.000 1.151 4228 Y HN 0.235 nan 8.280 nan 0.000 0.470 4229 V N 6.040 125.834 119.914 -0.200 0.000 2.455 4229 V HA 0.179 4.299 4.120 0.000 0.000 0.273 4229 V C -0.328 175.719 176.094 -0.078 0.000 1.045 4229 V CA -0.179 62.089 62.300 -0.053 0.000 0.976 4229 V CB 0.962 32.777 31.823 -0.012 0.000 0.993 4229 V HN 0.713 nan 8.190 nan 0.000 0.475 4230 D N 3.054 123.542 120.400 0.146 0.000 2.342 4230 D HA 0.837 5.478 4.640 0.000 0.000 0.243 4230 D C -0.477 175.936 176.300 0.187 0.000 1.019 4230 D CA 0.020 54.163 54.000 0.239 0.000 0.864 4230 D CB 2.111 43.097 40.800 0.309 0.000 1.315 4230 D HN 0.898 nan 8.370 nan 0.000 0.468 4231 A N 2.531 125.451 122.820 0.165 0.000 2.605 4231 A HA 0.629 4.949 4.320 0.000 0.000 0.294 4231 A C -2.820 174.767 177.584 0.004 0.000 1.062 4231 A CA -1.189 50.899 52.037 0.085 0.000 0.682 4231 A CB 0.883 19.952 19.000 0.115 0.000 1.278 4231 A HN 0.451 nan 8.150 nan 0.000 0.410 4232 P HA 0.167 nan 4.420 nan 0.000 0.269 4232 P C 0.721 177.931 177.300 -0.151 0.000 1.215 4232 P CA -0.181 62.865 63.100 -0.090 0.000 0.780 4232 P CB 0.709 32.336 31.700 -0.122 0.000 0.898 4233 E N 2.323 122.481 120.200 -0.069 0.000 2.085 4233 E HA -0.258 4.092 4.350 0.000 0.000 0.194 4233 E C 1.126 177.552 176.600 -0.291 0.000 0.994 4233 E CA 1.814 58.160 56.400 -0.089 0.000 0.801 4233 E CB -0.308 29.331 29.700 -0.103 0.000 0.743 4233 E HN 0.573 nan 8.360 nan 0.000 0.453 4234 D N 0.265 120.488 120.400 -0.296 0.000 2.144 4234 D HA -0.198 4.442 4.640 0.000 0.000 0.199 4234 D C 2.319 178.317 176.300 -0.503 0.000 0.984 4234 D CA 0.804 54.596 54.000 -0.346 0.000 0.834 4234 D CB -0.633 40.020 40.800 -0.245 0.000 0.955 4234 D HN 0.302 nan 8.370 nan 0.000 0.465 4235 L N -0.040 120.802 121.223 -0.635 0.000 2.131 4235 L HA -0.013 4.327 4.340 0.000 0.000 0.206 4235 L C 2.872 178.809 176.870 -1.554 0.000 1.087 4235 L CA 0.326 54.498 54.840 -1.114 0.000 0.767 4235 L CB -0.275 41.050 42.059 -1.223 0.000 0.917 4235 L HN -0.021 nan 8.230 nan 0.000 0.441 4236 L N -0.448 120.135 121.223 -1.067 0.000 2.046 4236 L HA -0.264 4.076 4.340 0.000 0.000 0.208 4236 L C 2.707 178.930 176.870 -1.078 0.000 1.077 4236 L CA 1.364 55.711 54.840 -0.821 0.000 0.747 4236 L CB -0.488 41.342 42.059 -0.380 0.000 0.896 4236 L HN 0.397 nan 8.230 nan 0.000 0.432 4237 Q N -0.333 118.724 119.800 -1.238 0.000 2.050 4237 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 4237 Q C 2.083 177.711 176.000 -0.619 0.000 0.980 4237 Q CA 2.322 57.327 55.803 -1.331 0.000 0.840 4237 Q CB 0.004 28.176 28.738 -0.943 0.000 0.898 4237 Q HN 0.433 nan 8.270 nan 0.000 0.424 4238 T N 0.162 114.413 114.554 -0.504 0.000 2.684 4238 T HA -0.172 4.178 4.350 0.000 0.000 0.267 4238 T C 1.166 175.850 174.700 -0.026 0.000 1.036 4238 T CA 1.446 63.397 62.100 -0.248 0.000 1.148 4238 T CB -0.358 68.359 68.868 -0.252 0.000 0.863 4238 T HN 0.454 nan 8.240 nan 0.000 0.436 4239 W N 0.671 121.869 121.300 -0.170 0.000 2.363 4239 W HA 0.025 4.685 4.660 0.000 0.000 0.296 4239 W C 2.175 178.665 176.519 -0.048 0.000 1.212 4239 W CA -0.358 56.945 57.345 -0.071 0.000 1.260 4239 W CB -1.647 27.799 29.460 -0.025 0.000 1.131 4239 W HN 0.333 nan 8.180 nan 0.000 0.530 4240 Y N 0.751 121.054 120.300 0.005 0.000 2.114 4240 Y HA -0.218 4.332 4.550 0.000 0.000 0.284 4240 Y C 2.413 178.379 175.900 0.111 0.000 1.143 4240 Y CA 2.126 60.251 58.100 0.042 0.000 1.135 4240 Y CB -0.807 37.585 38.460 -0.113 0.000 0.980 4240 Y HN -0.197 nan 8.280 nan 0.000 0.499 4241 I N 0.405 120.996 120.570 0.034 0.000 2.163 4241 I HA -0.373 3.797 4.170 0.000 0.000 0.243 4241 I C 1.928 178.073 176.117 0.046 0.000 1.085 4241 I CA 1.581 62.894 61.300 0.022 0.000 1.347 4241 I CB -0.561 37.452 38.000 0.021 0.000 1.044 4241 I HN 0.309 nan 8.210 nan 0.000 0.408 4242 N N 0.669 119.388 118.700 0.032 0.000 2.223 4242 N HA -0.199 4.541 4.740 0.000 0.000 0.185 4242 N C 1.875 177.348 175.510 -0.061 0.000 1.016 4242 N CA 1.080 54.137 53.050 0.012 0.000 0.863 4242 N CB -0.445 38.063 38.487 0.036 0.000 0.983 4242 N HN 0.371 nan 8.380 nan 0.000 0.429 4243 R N -0.190 120.258 120.500 -0.086 0.000 2.090 4243 R HA -0.055 4.285 4.340 0.000 0.000 0.228 4243 R C 2.095 178.265 176.300 -0.216 0.000 1.110 4243 R CA 0.666 56.629 56.100 -0.229 0.000 0.973 4243 R CB -0.344 29.854 30.300 -0.170 0.000 0.869 4243 R HN 0.155 nan 8.270 nan 0.000 0.440 4244 F N 1.377 121.199 119.950 -0.213 0.000 2.095 4244 F HA -0.196 4.331 4.527 0.000 0.000 0.298 4244 F C 1.765 177.534 175.800 -0.052 0.000 1.104 4244 F CA 1.574 59.538 58.000 -0.059 0.000 1.232 4244 F CB -0.260 38.648 39.000 -0.153 0.000 0.987 4244 F HN -0.029 nan 8.300 nan 0.000 0.475 4245 L N 0.251 121.516 121.223 0.070 0.000 2.042 4245 L HA -0.271 4.069 4.340 0.000 0.000 0.210 4245 L C 2.454 179.191 176.870 -0.222 0.000 1.076 4245 L CA 1.822 56.642 54.840 -0.033 0.000 0.749 4245 L CB -0.816 41.272 42.059 0.048 0.000 0.893 4245 L HN 0.127 nan 8.230 nan 0.000 0.432 4246 K N -0.475 119.758 120.400 -0.277 0.000 2.147 4246 K HA -0.147 4.173 4.320 0.000 0.000 0.205 4246 K C 2.055 178.389 176.600 -0.444 0.000 1.049 4246 K CA 1.356 57.424 56.287 -0.365 0.000 0.936 4246 K CB -0.207 32.046 32.500 -0.411 0.000 0.722 4246 K HN 0.173 nan 8.250 nan 0.000 0.446 4247 F N 0.846 120.455 119.950 -0.569 0.000 2.186 4247 F HA -0.151 4.376 4.527 0.000 0.000 0.299 4247 F C 2.756 178.132 175.800 -0.707 0.000 1.090 4247 F CA 0.726 58.208 58.000 -0.863 0.000 1.307 4247 F CB 0.043 38.032 39.000 -1.684 0.000 1.019 4247 F HN -0.006 nan 8.300 nan 0.000 0.489 4248 R N 0.724 120.983 120.500 -0.401 0.000 2.066 4248 R HA -0.165 4.176 4.340 0.000 0.000 0.232 4248 R C 2.020 178.008 176.300 -0.521 0.000 1.131 4248 R CA 1.733 57.692 56.100 -0.236 0.000 0.955 4248 R CB -0.260 29.938 30.300 -0.170 0.000 0.851 4248 R HN 0.255 nan 8.270 nan 0.000 0.432 4249 E N -0.949 118.818 120.200 -0.721 0.000 2.070 4249 E HA -0.172 4.179 4.350 0.000 0.000 0.197 4249 E C 1.782 177.845 176.600 -0.894 0.000 1.004 4249 E CA 1.340 56.987 56.400 -1.254 0.000 0.805 4249 E CB -0.275 29.041 29.700 -0.639 0.000 0.744 4249 E HN 0.578 nan 8.360 nan 0.000 0.451 4250 G N 0.112 108.639 108.800 -0.455 0.000 2.498 4250 G HA2 -0.173 3.787 3.960 0.000 0.000 0.219 4250 G HA3 -0.173 3.787 3.960 0.000 0.000 0.219 4250 G C 1.294 176.119 174.900 -0.124 0.000 1.119 4250 G CA 0.712 45.670 45.100 -0.238 0.000 0.766 4250 G HN 0.325 nan 8.290 nan 0.000 0.552 4251 A N -0.341 122.406 122.820 -0.121 0.000 2.348 4251 A HA 0.513 4.833 4.320 0.000 0.000 0.224 4251 A C 1.723 179.427 177.584 0.200 0.000 1.227 4251 A CA -0.432 51.656 52.037 0.084 0.000 0.885 4251 A CB -0.259 18.849 19.000 0.180 0.000 0.933 4251 A HN 0.334 nan 8.150 nan 0.000 0.506 4252 F N 0.959 120.914 119.950 0.008 0.000 2.115 4252 F HA -0.249 4.278 4.527 0.000 0.000 0.300 4252 F C 2.583 178.409 175.800 0.044 0.000 1.092 4252 F CA 1.460 59.441 58.000 -0.032 0.000 1.245 4252 F CB -0.059 38.927 39.000 -0.024 0.000 0.995 4252 F HN 0.418 nan 8.300 nan 0.000 0.481 4253 T N -4.203 110.518 114.554 0.279 0.000 3.134 4253 T HA 0.057 4.407 4.350 0.000 0.000 0.260 4253 T C -0.074 174.739 174.700 0.189 0.000 1.027 4253 T CA -0.313 61.911 62.100 0.207 0.000 0.913 4253 T CB -0.037 68.915 68.868 0.139 0.000 1.046 4253 T HN -0.066 nan 8.240 nan 0.000 0.553 4254 D N 2.072 122.619 120.400 0.244 0.000 2.462 4254 D HA 0.343 4.983 4.640 0.000 0.000 0.249 4254 D C -2.193 174.198 176.300 0.152 0.000 1.117 4254 D CA -2.329 51.772 54.000 0.168 0.000 0.900 4254 D CB 1.972 42.853 40.800 0.136 0.000 1.039 4254 D HN 0.014 nan 8.370 nan 0.000 0.516 4255 P HA 0.041 nan 4.420 nan 0.000 0.234 4255 P C 0.416 177.615 177.300 -0.169 0.000 1.167 4255 P CA 0.840 63.730 63.100 -0.350 0.000 0.763 4255 P CB 0.233 31.767 31.700 -0.277 0.000 0.835 4256 D N -1.267 119.111 120.400 -0.037 0.000 2.427 4256 D HA 0.221 4.861 4.640 0.000 0.000 0.224 4256 D C 0.408 176.742 176.300 0.057 0.000 1.157 4256 D CA -0.063 53.938 54.000 0.001 0.000 0.828 4256 D CB -0.036 40.770 40.800 0.010 0.000 0.974 4256 D HN 0.062 nan 8.370 nan 0.000 0.498 4257 S N -1.581 114.176 115.700 0.095 0.000 2.532 4257 S HA 0.413 4.883 4.470 0.000 0.000 0.301 4257 S C 0.525 175.242 174.600 0.194 0.000 1.083 4257 S CA -0.531 57.774 58.200 0.175 0.000 1.025 4257 S CB 1.262 64.592 63.200 0.216 0.000 1.056 4257 S HN 0.397 nan 8.310 nan 0.000 0.494 4258 Y N 4.087 124.450 120.300 0.105 0.000 2.242 4258 Y HA 0.041 4.591 4.550 0.000 0.000 0.291 4258 Y C 0.971 176.819 175.900 -0.086 0.000 1.137 4258 Y CA 1.611 59.695 58.100 -0.026 0.000 1.181 4258 Y CB -0.282 38.140 38.460 -0.063 0.000 0.989 4258 Y HN 0.753 nan 8.280 nan 0.000 0.527 4259 F N -0.545 119.382 119.950 -0.037 0.000 2.802 4259 F HA -0.067 4.460 4.527 0.000 0.000 0.300 4259 F C 2.527 178.325 175.800 -0.004 0.000 1.168 4259 F CA 0.985 58.962 58.000 -0.038 0.000 1.433 4259 F CB -0.531 38.460 39.000 -0.015 0.000 1.115 4259 F HN 0.296 nan 8.300 nan 0.000 0.582 4260 H N 0.718 119.810 119.070 0.038 0.000 2.423 4260 H HA -0.105 4.451 4.556 0.000 0.000 0.297 4260 H C 1.726 177.020 175.328 -0.056 0.000 1.075 4260 H CA 1.280 57.357 56.048 0.047 0.000 1.342 4260 H CB -0.015 29.766 29.762 0.032 0.000 1.395 4260 H HN 0.183 nan 8.280 nan 0.000 0.530 4261 N N 0.541 119.175 118.700 -0.109 0.000 2.192 4261 N HA -0.200 4.540 4.740 0.000 0.000 0.188 4261 N C 1.456 176.764 175.510 -0.336 0.000 1.013 4261 N CA 1.280 54.145 53.050 -0.308 0.000 0.863 4261 N CB -0.561 37.526 38.487 -0.668 0.000 0.990 4261 N HN 0.537 nan 8.380 nan 0.000 0.430 4262 Y N 0.511 120.761 120.300 -0.083 0.000 2.544 4262 Y HA 0.175 4.726 4.550 0.000 0.000 0.286 4262 Y C 2.263 178.199 175.900 0.060 0.000 1.141 4262 Y CA 0.192 58.309 58.100 0.027 0.000 1.299 4262 Y CB 0.012 38.531 38.460 0.099 0.000 1.030 4262 Y HN 0.025 nan 8.280 nan 0.000 0.543 4263 A N 0.866 123.753 122.820 0.111 0.000 2.067 4263 A HA -0.129 4.192 4.320 0.000 0.000 0.219 4263 A C 2.242 179.794 177.584 -0.053 0.000 1.158 4263 A CA 1.712 53.791 52.037 0.071 0.000 0.661 4263 A CB -0.769 18.171 19.000 -0.101 0.000 0.801 4263 A HN 0.387 nan 8.150 nan 0.000 0.452 4264 K N -0.195 120.177 120.400 -0.048 0.000 2.366 4264 K HA 0.382 4.702 4.320 0.000 0.000 0.198 4264 K C 0.711 177.317 176.600 0.010 0.000 1.044 4264 K CA 0.846 57.112 56.287 -0.034 0.000 0.973 4264 K CB -0.764 31.722 32.500 -0.023 0.000 0.767 4264 K HN 0.570 nan 8.250 nan 0.000 0.475 4265 L N 1.860 123.125 121.223 0.069 0.000 2.379 4265 L HA 0.296 4.636 4.340 0.000 0.000 0.269 4265 L C 0.972 177.896 176.870 0.089 0.000 1.084 4265 L CA -1.062 53.836 54.840 0.097 0.000 0.802 4265 L CB 1.738 43.902 42.059 0.174 0.000 1.175 4265 L HN 0.350 nan 8.230 nan 0.000 0.448 4266 T N -2.160 112.435 114.554 0.069 0.000 2.900 4266 T HA 0.042 4.392 4.350 0.000 0.000 0.307 4266 T C 0.970 175.730 174.700 0.099 0.000 1.065 4266 T CA -0.492 61.643 62.100 0.059 0.000 1.105 4266 T CB 1.132 70.026 68.868 0.042 0.000 0.979 4266 T HN 0.708 nan 8.240 nan 0.000 0.544 4267 K N 1.205 121.665 120.400 0.099 0.000 2.044 4267 K HA -0.221 4.099 4.320 0.000 0.000 0.210 4267 K C 2.726 179.393 176.600 0.112 0.000 1.049 4267 K CA 2.108 58.473 56.287 0.130 0.000 0.927 4267 K CB -0.887 31.681 32.500 0.113 0.000 0.713 4267 K HN 0.871 nan 8.250 nan 0.000 0.443 4268 E N 1.196 121.443 120.200 0.078 0.000 2.058 4268 E HA -0.278 4.072 4.350 0.000 0.000 0.194 4268 E C 1.698 178.336 176.600 0.064 0.000 0.997 4268 E CA 1.872 58.309 56.400 0.061 0.000 0.801 4268 E CB -0.707 29.019 29.700 0.043 0.000 0.746 4268 E HN 0.705 nan 8.360 nan 0.000 0.450 4269 E N -0.603 119.641 120.200 0.073 0.000 2.208 4269 E HA 0.101 4.451 4.350 0.000 0.000 0.193 4269 E C 2.274 178.933 176.600 0.099 0.000 0.988 4269 E CA 0.750 57.195 56.400 0.075 0.000 0.828 4269 E CB -0.178 29.567 29.700 0.075 0.000 0.763 4269 E HN 0.479 nan 8.360 nan 0.000 0.478 4270 A N 0.936 123.845 122.820 0.148 0.000 1.933 4270 A HA -0.131 4.189 4.320 0.000 0.000 0.218 4270 A C 2.086 179.726 177.584 0.093 0.000 1.175 4270 A CA 1.016 53.190 52.037 0.229 0.000 0.628 4270 A CB -0.462 18.748 19.000 0.351 0.000 0.814 4270 A HN 0.325 nan 8.150 nan 0.000 0.444 4271 I N -0.683 119.933 120.570 0.075 0.000 2.202 4271 I HA -0.245 3.925 4.170 0.000 0.000 0.242 4271 I C 2.442 178.530 176.117 -0.049 0.000 1.091 4271 I CA 1.480 62.784 61.300 0.007 0.000 1.368 4271 I CB -0.240 37.784 38.000 0.040 0.000 1.058 4271 I HN 0.269 nan 8.210 nan 0.000 0.410 4272 K N 0.140 120.535 120.400 -0.009 0.000 2.097 4272 K HA -0.129 4.191 4.320 0.000 0.000 0.206 4272 K C 2.080 178.666 176.600 -0.024 0.000 1.049 4272 K CA 1.782 58.067 56.287 -0.004 0.000 0.933 4272 K CB -0.256 32.256 32.500 0.020 0.000 0.717 4272 K HN 0.305 nan 8.250 nan 0.000 0.442 4273 T N 1.058 115.585 114.554 -0.045 0.000 2.708 4273 T HA -0.163 4.187 4.350 0.000 0.000 0.266 4273 T C 2.012 176.590 174.700 -0.203 0.000 1.037 4273 T CA 1.448 63.513 62.100 -0.059 0.000 1.146 4273 T CB -0.295 68.582 68.868 0.015 0.000 0.865 4273 T HN 0.327 nan 8.240 nan 0.000 0.435 4274 A N 1.439 123.953 122.820 -0.510 0.000 1.883 4274 A HA -0.082 4.238 4.320 0.000 0.000 0.217 4274 A C 2.333 179.906 177.584 -0.018 0.000 1.186 4274 A CA 1.862 53.528 52.037 -0.617 0.000 0.624 4274 A CB -0.796 17.577 19.000 -1.044 0.000 0.822 4274 A HN 0.494 nan 8.150 nan 0.000 0.444 4275 M N -0.654 118.940 119.600 -0.010 0.000 2.202 4275 M HA -0.154 4.326 4.480 0.000 0.000 0.262 4275 M C 1.954 178.336 176.300 0.136 0.000 1.063 4275 M CA 2.081 57.441 55.300 0.101 0.000 1.097 4275 M CB -0.264 32.362 32.600 0.044 0.000 1.382 4275 M HN 0.454 nan 8.290 nan 0.000 0.413 4276 T N 1.019 115.615 114.554 0.071 0.000 2.857 4276 T HA -0.045 4.306 4.350 0.000 0.000 0.266 4276 T C 1.673 176.417 174.700 0.074 0.000 1.048 4276 T CA 1.036 63.178 62.100 0.071 0.000 1.139 4276 T CB -0.211 68.688 68.868 0.051 0.000 0.874 4276 T HN 0.373 nan 8.240 nan 0.000 0.455 4277 L N 0.004 121.279 121.223 0.086 0.000 2.046 4277 L HA -0.081 4.259 4.340 0.000 0.000 0.208 4277 L C 2.493 179.360 176.870 -0.005 0.000 1.077 4277 L CA 1.296 56.194 54.840 0.098 0.000 0.747 4277 L CB -0.499 41.686 42.059 0.211 0.000 0.896 4277 L HN 0.489 nan 8.230 nan 0.000 0.432 4278 W N 1.911 123.081 121.300 -0.217 0.000 2.322 4278 W HA -0.263 4.398 4.660 0.001 0.000 0.326 4278 W C 2.385 178.888 176.519 -0.027 0.000 1.224 4278 W CA 1.751 58.898 57.345 -0.330 0.000 1.257 4278 W CB -0.217 29.065 29.460 -0.297 0.000 1.174 4278 W HN 0.044 nan 8.180 nan 0.000 0.460 4279 K N 0.162 120.484 120.400 -0.131 0.000 2.009 4279 K HA -0.233 4.087 4.320 0.000 0.000 0.210 4279 K C 1.865 178.491 176.600 0.043 0.000 1.049 4279 K CA 2.322 58.617 56.287 0.014 0.000 0.929 4279 K CB -0.486 32.120 32.500 0.176 0.000 0.714 4279 K HN 0.274 nan 8.250 nan 0.000 0.440 4280 E N -0.173 120.036 120.200 0.015 0.000 2.285 4280 E HA -0.023 4.328 4.350 0.000 0.000 0.194 4280 E C 1.699 178.299 176.600 -0.000 0.000 0.997 4280 E CA 0.639 57.044 56.400 0.007 0.000 0.845 4280 E CB 0.246 29.957 29.700 0.018 0.000 0.782 4280 E HN 0.322 nan 8.360 nan 0.000 0.491 4281 I N 0.053 120.617 120.570 -0.011 0.000 3.632 4281 I HA -0.040 4.130 4.170 0.000 0.000 0.246 4281 I C 1.718 177.863 176.117 0.047 0.000 1.125 4281 I CA -0.111 61.247 61.300 0.096 0.000 1.519 4281 I CB -0.081 37.990 38.000 0.119 0.000 1.555 4281 I HN -0.088 nan 8.210 nan 0.000 0.452 4282 N N 0.650 119.244 118.700 -0.176 0.000 2.142 4282 N HA -0.217 4.523 4.740 0.000 0.000 0.186 4282 N C 1.558 176.720 175.510 -0.580 0.000 1.023 4282 N CA 1.414 54.262 53.050 -0.337 0.000 0.852 4282 N CB -0.338 37.943 38.487 -0.344 0.000 0.998 4282 N HN 0.429 nan 8.380 nan 0.000 0.424 4283 W N 1.911 122.505 121.300 -1.176 0.000 2.388 4283 W HA 0.037 4.698 4.660 0.001 0.000 0.294 4283 W C 2.033 178.284 176.519 -0.447 0.000 1.212 4283 W CA 0.291 57.042 57.345 -0.991 0.000 1.271 4283 W CB -0.687 28.120 29.460 -1.088 0.000 1.126 4283 W HN -0.005 nan 8.180 nan 0.000 0.535 4284 L N 1.731 122.721 121.223 -0.387 0.000 2.046 4284 L HA -0.199 4.141 4.340 0.000 0.000 0.208 4284 L C 2.210 178.882 176.870 -0.329 0.000 1.077 4284 L CA 2.512 57.134 54.840 -0.363 0.000 0.747 4284 L CB -1.366 40.645 42.059 -0.080 0.000 0.896 4284 L HN 0.023 nan 8.230 nan 0.000 0.432 4285 N N -0.532 117.930 118.700 -0.396 0.000 2.166 4285 N HA -0.211 4.529 4.740 0.000 0.000 0.186 4285 N C 1.821 177.077 175.510 -0.423 0.000 1.019 4285 N CA 1.633 54.228 53.050 -0.758 0.000 0.856 4285 N CB -0.342 37.594 38.487 -0.917 0.000 0.993 4285 N HN 0.380 nan 8.380 nan 0.000 0.426 4286 L N 0.981 122.035 121.223 -0.282 0.000 1.994 4286 L HA -0.068 4.272 4.340 0.000 0.000 0.208 4286 L C 1.920 178.711 176.870 -0.132 0.000 1.071 4286 L CA 1.853 56.623 54.840 -0.117 0.000 0.745 4286 L CB -0.672 41.408 42.059 0.036 0.000 0.892 4286 L HN 0.035 nan 8.230 nan 0.000 0.431 4287 K N -0.910 119.341 120.400 -0.249 0.000 2.057 4287 K HA -0.137 4.183 4.320 0.000 0.000 0.206 4287 K C 2.107 178.588 176.600 -0.198 0.000 1.050 4287 K CA 1.922 58.064 56.287 -0.243 0.000 0.935 4287 K CB -0.176 32.068 32.500 -0.428 0.000 0.715 4287 K HN 0.514 nan 8.250 nan 0.000 0.439 4288 Q N -0.284 119.382 119.800 -0.223 0.000 2.212 4288 Q HA 0.039 4.379 4.340 0.000 0.000 0.199 4288 Q C 1.132 177.037 176.000 -0.159 0.000 0.950 4288 Q CA 0.793 56.494 55.803 -0.170 0.000 0.863 4288 Q CB 0.319 28.975 28.738 -0.137 0.000 0.944 4288 Q HN 0.327 nan 8.270 nan 0.000 0.465 4289 N N -0.751 117.830 118.700 -0.199 0.000 2.325 4289 N HA 0.165 4.905 4.740 0.000 0.000 0.220 4289 N C 1.560 177.007 175.510 -0.105 0.000 1.176 4289 N CA 0.307 53.255 53.050 -0.169 0.000 0.861 4289 N CB 0.779 39.122 38.487 -0.239 0.000 1.230 4289 N HN 0.130 nan 8.380 nan 0.000 0.479 4290 I N 0.688 121.209 120.570 -0.081 0.000 2.499 4290 I HA -0.044 4.126 4.170 0.000 0.000 0.243 4290 I C 2.115 178.298 176.117 0.110 0.000 1.085 4290 I CA 0.323 61.644 61.300 0.035 0.000 1.422 4290 I CB -0.083 37.949 38.000 0.055 0.000 1.165 4290 I HN -0.075 nan 8.210 nan 0.000 0.440 4291 L N 2.475 123.746 121.223 0.080 0.000 2.081 4291 L HA -0.115 4.225 4.340 0.000 0.000 0.212 4291 L C -0.635 176.184 176.870 -0.085 0.000 1.080 4291 L CA 2.375 57.240 54.840 0.042 0.000 0.754 4291 L CB -1.598 40.482 42.059 0.036 0.000 0.893 4291 L HN 0.073 nan 8.230 nan 0.000 0.433 4292 P HA -0.083 nan 4.420 nan 0.000 0.225 4292 P C 1.323 178.560 177.300 -0.105 0.000 1.148 4292 P CA 1.633 64.678 63.100 -0.092 0.000 0.779 4292 P CB -0.267 31.384 31.700 -0.081 0.000 0.780 4293 T N -4.204 110.294 114.554 -0.093 0.000 3.100 4293 T HA 0.069 4.419 4.350 0.000 0.000 0.253 4293 T C 1.792 176.395 174.700 -0.162 0.000 1.118 4293 T CA -0.111 61.940 62.100 -0.082 0.000 1.058 4293 T CB -0.434 68.430 68.868 -0.007 0.000 0.953 4293 T HN -0.016 nan 8.240 nan 0.000 0.515 4294 R N 1.337 121.602 120.500 -0.391 0.000 2.103 4294 R HA -0.140 4.200 4.340 0.000 0.000 0.242 4294 R C 1.533 177.637 176.300 -0.327 0.000 1.142 4294 R CA 1.832 57.482 56.100 -0.751 0.000 0.960 4294 R CB -0.221 29.461 30.300 -1.030 0.000 0.858 4294 R HN 0.325 nan 8.270 nan 0.000 0.439 4295 E N -0.189 119.909 120.200 -0.170 0.000 2.516 4295 E HA -0.044 4.306 4.350 0.000 0.000 0.199 4295 E C 1.177 177.807 176.600 0.049 0.000 1.069 4295 E CA 0.472 56.876 56.400 0.007 0.000 0.876 4295 E CB 0.138 29.852 29.700 0.024 0.000 0.843 4295 E HN 0.298 nan 8.360 nan 0.000 0.530 4296 R N -0.134 120.360 120.500 -0.011 0.000 2.300 4296 R HA 0.313 4.653 4.340 0.000 0.000 0.199 4296 R C 0.449 176.748 176.300 -0.002 0.000 0.920 4296 R CA 0.151 56.246 56.100 -0.009 0.000 1.046 4296 R CB 0.489 30.776 30.300 -0.022 0.000 0.984 4296 R HN 0.000 nan 8.270 nan 0.000 0.493 4297 A N 0.457 123.296 122.820 0.031 0.000 2.351 4297 A HA 0.222 4.542 4.320 0.000 0.000 0.257 4297 A C 0.992 178.566 177.584 -0.016 0.000 1.087 4297 A CA -0.311 51.738 52.037 0.020 0.000 0.798 4297 A CB 0.804 19.860 19.000 0.093 0.000 1.033 4297 A HN 0.116 nan 8.150 nan 0.000 0.488 4298 S N 0.042 115.602 115.700 -0.234 0.000 2.387 4298 S HA 0.063 4.534 4.470 0.000 0.000 0.226 4298 S C 0.528 175.010 174.600 -0.196 0.000 1.026 4298 S CA 1.019 58.956 58.200 -0.438 0.000 0.972 4298 S CB -0.311 62.129 63.200 -1.267 0.000 0.814 4298 S HN 0.636 nan 8.310 nan 0.000 0.477 4299 L N 0.745 121.906 121.223 -0.105 0.000 2.455 4299 L HA 0.570 4.911 4.340 0.000 0.000 0.264 4299 L C -1.972 174.959 176.870 0.101 0.000 0.968 4299 L CA -0.694 54.210 54.840 0.107 0.000 0.827 4299 L CB 1.668 43.862 42.059 0.225 0.000 1.317 4299 L HN 0.029 nan 8.230 nan 0.000 0.407 4300 I N 5.264 125.859 120.570 0.042 0.000 2.362 4300 I HA 0.307 4.477 4.170 0.000 0.000 0.289 4300 I C -0.966 175.139 176.117 -0.020 0.000 0.994 4300 I CA -0.575 60.734 61.300 0.015 0.000 1.158 4300 I CB 1.822 39.739 38.000 -0.138 0.000 1.315 4300 I HN 0.404 nan 8.210 nan 0.000 0.451 4301 L N 6.762 127.998 121.223 0.023 0.000 2.277 4301 L HA 0.417 4.757 4.340 0.000 0.000 0.284 4301 L C -0.159 176.724 176.870 0.021 0.000 1.028 4301 L CA 0.241 55.056 54.840 -0.043 0.000 0.835 4301 L CB 1.222 43.267 42.059 -0.024 0.000 1.215 4301 L HN 0.496 nan 8.230 nan 0.000 0.425 4302 T N 4.737 119.286 114.554 -0.007 0.000 2.733 4302 T HA 0.400 4.750 4.350 0.000 0.000 0.294 4302 T C -0.015 174.722 174.700 0.061 0.000 0.956 4302 T CA -0.548 61.578 62.100 0.044 0.000 0.987 4302 T CB 0.528 69.408 68.868 0.020 0.000 0.920 4302 T HN 0.428 nan 8.240 nan 0.000 0.470 4303 K N 1.858 122.339 120.400 0.134 0.000 2.095 4303 K HA 0.719 5.039 4.320 0.000 0.000 0.252 4303 K C 0.439 177.160 176.600 0.201 0.000 0.977 4303 K CA -0.739 55.660 56.287 0.187 0.000 0.900 4303 K CB 1.269 33.946 32.500 0.295 0.000 1.060 4303 K HN 0.701 nan 8.250 nan 0.000 0.449 4304 S N -0.331 115.488 115.700 0.199 0.000 2.998 4304 S HA 0.647 5.117 4.470 0.000 0.000 0.323 4304 S C -0.591 174.137 174.600 0.213 0.000 1.141 4304 S CA -0.959 57.332 58.200 0.151 0.000 0.873 4304 S CB 0.426 63.674 63.200 0.080 0.000 1.315 4304 S HN 0.652 nan 8.310 nan 0.000 0.637 4305 A N 1.452 124.350 122.820 0.130 0.000 2.616 4305 A HA 0.248 4.568 4.320 0.000 0.000 0.234 4305 A C 0.790 178.462 177.584 0.146 0.000 1.024 4305 A CA 0.652 52.772 52.037 0.139 0.000 0.758 4305 A CB -1.285 17.758 19.000 0.071 0.000 0.939 4305 A HN 1.137 nan 8.150 nan 0.000 0.510 4306 N N 1.248 120.041 118.700 0.155 0.000 2.741 4306 N HA -0.226 4.514 4.740 0.000 0.000 0.251 4306 N C 0.123 175.676 175.510 0.072 0.000 1.112 4306 N CA 1.415 54.520 53.050 0.091 0.000 0.750 4306 N CB -1.444 37.091 38.487 0.081 0.000 1.119 4306 N HN 1.008 nan 8.380 nan 0.000 0.561 4307 H N -3.867 115.187 119.070 -0.027 0.000 3.237 4307 H HA -0.183 4.373 4.556 0.000 0.000 0.231 4307 H C 0.755 176.078 175.328 -0.009 0.000 1.148 4307 H CA 1.258 57.191 56.048 -0.192 0.000 1.155 4307 H CB -1.680 27.830 29.762 -0.421 0.000 1.210 4307 H HN 0.590 nan 8.280 nan 0.000 0.317 4308 A N 1.395 124.290 122.820 0.126 0.000 2.488 4308 A HA 0.422 4.743 4.320 0.000 0.000 0.249 4308 A C 0.877 178.516 177.584 0.090 0.000 1.083 4308 A CA 0.013 52.112 52.037 0.103 0.000 0.768 4308 A CB 0.536 19.586 19.000 0.084 0.000 1.017 4308 A HN 0.132 nan 8.150 nan 0.000 0.496 4309 V N 3.211 123.157 119.914 0.053 0.000 2.555 4309 V HA 0.109 4.229 4.120 0.000 0.000 0.286 4309 V C 1.224 177.323 176.094 0.009 0.000 1.044 4309 V CA 0.972 63.273 62.300 0.001 0.000 1.026 4309 V CB 0.776 32.530 31.823 -0.116 0.000 0.981 4309 V HN 1.133 nan 8.190 nan 0.000 0.480 4310 E N 2.905 123.113 120.200 0.013 0.000 2.514 4310 E HA 0.293 4.643 4.350 0.000 0.000 0.215 4310 E C 0.410 177.021 176.600 0.019 0.000 0.946 4310 E CA -0.240 56.176 56.400 0.027 0.000 1.038 4310 E CB 1.041 30.763 29.700 0.037 0.000 1.069 4310 E HN 0.705 nan 8.360 nan 0.000 0.503 4311 E N 0.490 120.678 120.200 -0.020 0.000 2.372 4311 E HA 0.410 4.760 4.350 0.000 0.000 0.279 4311 E C -1.891 174.642 176.600 -0.112 0.000 0.946 4311 E CA -0.905 55.483 56.400 -0.021 0.000 0.769 4311 E CB 2.598 32.295 29.700 -0.005 0.000 1.230 4311 E HN 0.012 nan 8.360 nan 0.000 0.442 4312 V N 3.679 123.536 119.914 -0.096 0.000 2.525 4312 V HA 0.542 4.662 4.120 0.000 0.000 0.299 4312 V C -0.555 175.571 176.094 0.055 0.000 1.034 4312 V CA -0.720 61.438 62.300 -0.237 0.000 0.863 4312 V CB 1.774 33.070 31.823 -0.878 0.000 0.999 4312 V HN 0.612 nan 8.190 nan 0.000 0.423 4313 R N 3.529 124.040 120.500 0.017 0.000 2.437 4313 R HA 0.717 5.058 4.340 0.000 0.000 0.310 4313 R C -1.525 174.947 176.300 0.286 0.000 0.955 4313 R CA -0.813 55.361 56.100 0.123 0.000 0.851 4313 R CB 2.288 32.486 30.300 -0.170 0.000 1.161 4313 R HN 0.534 nan 8.270 nan 0.000 0.446 4314 L N 2.667 124.176 121.223 0.477 0.000 2.362 4314 L HA 0.457 4.797 4.340 0.000 0.000 0.275 4314 L C -0.401 176.694 176.870 0.375 0.000 0.998 4314 L CA -0.663 54.453 54.840 0.460 0.000 0.820 4314 L CB 1.419 43.782 42.059 0.506 0.000 1.270 4314 L HN 0.400 nan 8.230 nan 0.000 0.415 4315 R N 3.760 124.348 120.500 0.147 0.000 2.538 4315 R HA 0.099 4.439 4.340 0.000 0.000 0.282 4315 R C 0.003 176.314 176.300 0.019 0.000 1.009 4315 R CA 0.167 56.166 56.100 -0.167 0.000 1.063 4315 R CB 0.120 30.278 30.300 -0.237 0.000 0.945 4315 R HN 0.685 nan 8.270 nan 0.000 0.414 4316 K N 0.000 120.380 120.400 -0.033 0.000 2.780 4316 K HA 0.000 4.320 4.320 0.000 0.000 0.191 4316 K CA 0.000 56.310 56.287 0.038 0.000 0.838 4316 K CB 0.000 32.504 32.500 0.006 0.000 1.064 4316 K HN 0.000 nan 8.250 nan 0.000 0.543