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 2v6j_1_A DATA FIRST_RESID 2 DATA SEQUENCE RELTVLDLHP GAGKTRRVLP QLVREAVKKR LRTVILAPTR VVASETYEAL DATA SEQUENCE RGEPIRYMXX XXXXXXXGNE IVDFMCHSTF TMKLLQGVRV PNYNLYIMDE DATA SEQUENCE AHFLDPASVA ARGYIETRVS MGDAGAIFMT ATPPGTTEAF PPSNSPIIDE DATA SEQUENCE ETRIPDKAWN SGYEWITEFD GRTVWFVHSI KQGAEIGTCL QKAGKKVLYL DATA SEQUENCE NRKTFESEYP KCKSEKWDFV ITTDISEMGA NFKADRVIDP RKTIKPILLD DATA SEQUENCE GRVSMQGPIA ITPASAAQRR GRIGRNPEKL GDIYAYSGNV SSDNEGHVSW DATA SEQUENCE TEARMLLDNV HVQGGVVAQL YTPEREKTEA YEGEFKLKTN QRKVFSELIR DATA SEQUENCE TGDLPVWLAF QVASANVEYH DRKWCFDGPN EHLLLENNQE IEVWTRQGQR DATA SEQUENCE RVLKPRWLDG RITSDHLNLK SFKEFASGKR 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.295 176.300 -0.008 0.000 0.893 2 R CA 0.000 56.102 56.100 0.003 0.000 0.921 2 R CB 0.000 30.300 30.300 0.001 0.000 0.687 3 E N 2.318 122.509 120.200 -0.015 0.000 2.191 3 E HA 0.518 4.868 4.350 0.001 0.000 0.274 3 E C -1.123 175.436 176.600 -0.067 0.000 0.948 3 E CA -0.846 55.533 56.400 -0.035 0.000 0.802 3 E CB 1.518 31.201 29.700 -0.029 0.000 1.137 3 E HN 0.130 nan 8.360 nan 0.000 0.397 4 L N 2.432 123.592 121.223 -0.105 0.000 2.270 4 L HA 0.380 4.721 4.340 0.001 0.000 0.286 4 L C -0.909 175.860 176.870 -0.168 0.000 1.059 4 L CA 0.022 54.737 54.840 -0.209 0.000 0.839 4 L CB 0.619 42.505 42.059 -0.288 0.000 1.221 4 L HN 0.626 nan 8.230 nan 0.000 0.431 5 T N 4.509 118.977 114.554 -0.143 0.000 2.771 5 T HA 0.437 4.788 4.350 0.001 0.000 0.291 5 T C -0.244 174.421 174.700 -0.059 0.000 0.954 5 T CA -0.280 61.776 62.100 -0.073 0.000 1.045 5 T CB 1.123 69.970 68.868 -0.034 0.000 0.917 5 T HN 0.298 nan 8.240 nan 0.000 0.484 6 V N 6.093 126.007 119.914 -0.001 0.000 2.333 6 V HA 0.349 4.470 4.120 0.001 0.000 0.274 6 V C -0.208 175.926 176.094 0.066 0.000 1.028 6 V CA -0.892 61.452 62.300 0.075 0.000 0.851 6 V CB 0.391 32.291 31.823 0.129 0.000 1.000 6 V HN 0.699 nan 8.190 nan 0.000 0.456 7 L N 3.335 124.602 121.223 0.072 0.000 2.276 7 L HA 0.637 4.977 4.340 0.001 0.000 0.286 7 L C 0.087 176.989 176.870 0.054 0.000 1.024 7 L CA -0.440 54.430 54.840 0.049 0.000 0.826 7 L CB 1.191 43.266 42.059 0.027 0.000 1.211 7 L HN 0.602 nan 8.230 nan 0.000 0.422 8 D N 4.684 125.112 120.400 0.047 0.000 2.494 8 D HA 0.191 4.832 4.640 0.001 0.000 0.217 8 D C -0.416 175.895 176.300 0.018 0.000 1.153 8 D CA -0.113 53.915 54.000 0.046 0.000 0.954 8 D CB 0.845 41.678 40.800 0.054 0.000 1.034 8 D HN 0.575 nan 8.370 nan 0.000 0.518 9 L N 3.092 124.309 121.223 -0.009 0.000 2.260 9 L HA 0.184 4.525 4.340 0.001 0.000 0.289 9 L C 0.739 177.559 176.870 -0.083 0.000 1.057 9 L CA -1.058 53.728 54.840 -0.090 0.000 0.811 9 L CB 0.428 42.423 42.059 -0.106 0.000 1.184 9 L HN 0.432 nan 8.230 nan 0.000 0.429 10 H N 3.197 122.268 119.070 0.001 0.000 2.836 10 H HA 0.204 4.761 4.556 0.001 0.000 0.368 10 H C -2.550 172.774 175.328 -0.007 0.000 1.164 10 H CA -2.254 53.788 56.048 -0.011 0.000 1.425 10 H CB -0.414 29.342 29.762 -0.010 0.000 1.414 10 H HN 0.296 nan 8.280 nan 0.000 0.614 11 P HA 0.064 nan 4.420 nan 0.000 0.264 11 P C 0.958 178.372 177.300 0.190 0.000 1.193 11 P CA 1.770 64.944 63.100 0.123 0.000 0.763 11 P CB 0.690 32.438 31.700 0.081 0.000 0.810 12 G N 2.831 111.685 108.800 0.090 0.000 2.195 12 G HA2 -0.319 3.642 3.960 0.001 0.000 0.246 12 G HA3 -0.319 3.642 3.960 0.001 0.000 0.246 12 G C 1.139 176.054 174.900 0.024 0.000 0.984 12 G CA 0.299 45.450 45.100 0.087 0.000 0.633 12 G HN 0.668 nan 8.290 nan 0.000 0.525 13 A N 0.326 123.073 122.820 -0.122 0.000 2.125 13 A HA 0.465 4.786 4.320 0.001 0.000 0.219 13 A C 2.521 180.040 177.584 -0.108 0.000 1.156 13 A CA 2.130 54.021 52.037 -0.244 0.000 0.671 13 A CB -0.627 18.079 19.000 -0.490 0.000 0.794 13 A HN 2.575 nan 8.150 nan 0.000 0.459 14 G N -0.609 108.153 108.800 -0.063 0.000 2.370 14 G HA2 -0.227 3.734 3.960 0.001 0.000 0.268 14 G HA3 -0.227 3.734 3.960 0.001 0.000 0.268 14 G C 0.491 175.361 174.900 -0.050 0.000 1.122 14 G CA 0.525 45.601 45.100 -0.041 0.000 0.963 14 G HN 0.524 nan 8.290 nan 0.000 0.500 15 K N -0.682 119.689 120.400 -0.049 0.000 1.991 15 K HA -0.093 4.227 4.320 0.001 0.000 0.212 15 K C 2.626 179.198 176.600 -0.046 0.000 1.049 15 K CA 2.103 58.364 56.287 -0.044 0.000 0.932 15 K CB -0.226 32.257 32.500 -0.028 0.000 0.717 15 K HN 0.368 nan 8.250 nan 0.000 0.441 16 T N 0.798 115.326 114.554 -0.043 0.000 2.896 16 T HA 0.007 4.357 4.350 0.001 0.000 0.263 16 T C 1.780 176.442 174.700 -0.063 0.000 1.050 16 T CA 0.805 62.870 62.100 -0.057 0.000 1.140 16 T CB 0.082 68.924 68.868 -0.042 0.000 0.877 16 T HN 0.127 nan 8.240 nan 0.000 0.457 17 R N 0.550 121.023 120.500 -0.045 0.000 2.140 17 R HA 0.273 4.614 4.340 0.001 0.000 0.213 17 R C 2.208 178.481 176.300 -0.045 0.000 1.059 17 R CA 0.639 56.714 56.100 -0.042 0.000 1.000 17 R CB 0.064 30.350 30.300 -0.024 0.000 0.910 17 R HN 0.318 nan 8.270 nan 0.000 0.455 18 R N -0.619 119.855 120.500 -0.043 0.000 2.197 18 R HA 0.175 4.515 4.340 0.001 0.000 0.188 18 R C 2.219 178.492 176.300 -0.045 0.000 1.015 18 R CA 0.268 56.344 56.100 -0.041 0.000 1.132 18 R CB 0.067 30.347 30.300 -0.033 0.000 1.134 18 R HN -0.112 nan 8.270 nan 0.000 0.560 19 V N 1.930 121.816 119.914 -0.047 0.000 2.283 19 V HA -0.197 3.924 4.120 0.001 0.000 0.243 19 V C 2.237 178.300 176.094 -0.051 0.000 1.039 19 V CA 1.467 63.740 62.300 -0.045 0.000 1.016 19 V CB -0.377 31.420 31.823 -0.044 0.000 0.650 19 V HN 0.178 nan 8.190 nan 0.000 0.449 20 L N 1.015 122.201 121.223 -0.062 0.000 2.017 20 L HA -0.055 4.286 4.340 0.001 0.000 0.208 20 L C -0.186 176.630 176.870 -0.091 0.000 1.073 20 L CA 2.433 57.225 54.840 -0.080 0.000 0.745 20 L CB -1.690 40.307 42.059 -0.103 0.000 0.894 20 L HN 0.257 nan 8.230 nan 0.000 0.432 21 P HA -0.193 nan 4.420 nan 0.000 0.216 21 P C 1.489 178.748 177.300 -0.068 0.000 1.150 21 P CA 1.498 64.545 63.100 -0.089 0.000 0.837 21 P CB -0.030 31.621 31.700 -0.082 0.000 0.786 22 Q N -0.813 118.954 119.800 -0.055 0.000 2.084 22 Q HA -0.115 4.226 4.340 0.001 0.000 0.202 22 Q C 2.190 178.165 176.000 -0.041 0.000 0.978 22 Q CA 1.203 56.980 55.803 -0.043 0.000 0.844 22 Q CB -0.699 28.018 28.738 -0.035 0.000 0.898 22 Q HN 0.261 nan 8.270 nan 0.000 0.426 23 L N -0.267 120.929 121.223 -0.045 0.000 2.083 23 L HA -0.172 4.169 4.340 0.001 0.000 0.209 23 L C 2.267 179.108 176.870 -0.047 0.000 1.083 23 L CA 0.682 55.497 54.840 -0.041 0.000 0.752 23 L CB -0.334 41.701 42.059 -0.041 0.000 0.899 23 L HN 0.112 nan 8.230 nan 0.000 0.433 24 V N -0.489 119.387 119.914 -0.063 0.000 2.379 24 V HA -0.215 3.906 4.120 0.001 0.000 0.245 24 V C 2.585 178.649 176.094 -0.051 0.000 1.044 24 V CA 1.450 63.710 62.300 -0.068 0.000 1.036 24 V CB -0.589 31.175 31.823 -0.098 0.000 0.664 24 V HN 0.382 nan 8.190 nan 0.000 0.453 25 R N 0.669 121.140 120.500 -0.049 0.000 2.083 25 R HA -0.219 4.122 4.340 0.001 0.000 0.237 25 R C 2.349 178.633 176.300 -0.027 0.000 1.137 25 R CA 2.034 58.112 56.100 -0.037 0.000 0.951 25 R CB -0.383 29.896 30.300 -0.036 0.000 0.851 25 R HN 0.812 nan 8.270 nan 0.000 0.434 26 E N 0.195 120.379 120.200 -0.026 0.000 2.285 26 E HA -0.050 4.301 4.350 0.001 0.000 0.194 26 E C 1.722 178.313 176.600 -0.016 0.000 0.997 26 E CA 0.894 57.282 56.400 -0.019 0.000 0.845 26 E CB 0.016 29.705 29.700 -0.017 0.000 0.782 26 E HN 0.294 nan 8.360 nan 0.000 0.491 27 A N 1.553 124.361 122.820 -0.020 0.000 1.930 27 A HA 0.001 4.322 4.320 0.001 0.000 0.215 27 A C 2.428 180.007 177.584 -0.009 0.000 1.176 27 A CA 0.840 52.868 52.037 -0.016 0.000 0.632 27 A CB -0.481 18.505 19.000 -0.024 0.000 0.819 27 A HN 0.164 nan 8.150 nan 0.000 0.445 28 V N 0.234 120.141 119.914 -0.013 0.000 2.358 28 V HA -0.245 3.876 4.120 0.001 0.000 0.246 28 V C 2.416 178.508 176.094 -0.004 0.000 1.047 28 V CA 2.300 64.596 62.300 -0.007 0.000 1.035 28 V CB -0.606 31.210 31.823 -0.012 0.000 0.658 28 V HN 0.536 nan 8.190 nan 0.000 0.452 29 K N 0.003 120.398 120.400 -0.007 0.000 2.097 29 K HA -0.155 4.166 4.320 0.001 0.000 0.206 29 K C 2.009 178.607 176.600 -0.002 0.000 1.049 29 K CA 1.279 57.563 56.287 -0.005 0.000 0.933 29 K CB -0.160 32.336 32.500 -0.008 0.000 0.717 29 K HN 0.366 nan 8.250 nan 0.000 0.442 30 K N 0.330 120.729 120.400 -0.002 0.000 2.487 30 K HA 0.089 4.410 4.320 0.001 0.000 0.192 30 K C -0.138 176.465 176.600 0.004 0.000 1.027 30 K CA 0.060 56.347 56.287 0.001 0.000 1.054 30 K CB 0.231 32.731 32.500 -0.000 0.000 0.824 30 K HN 0.046 nan 8.250 nan 0.000 0.510 31 R N 0.637 121.140 120.500 0.006 0.000 3.525 31 R HA -0.161 4.180 4.340 0.001 0.000 0.276 31 R C -0.930 175.379 176.300 0.015 0.000 1.116 31 R CA 0.225 56.331 56.100 0.010 0.000 0.745 31 R CB -2.122 28.184 30.300 0.010 0.000 1.185 31 R HN 0.166 nan 8.270 nan 0.000 0.454 32 L N 0.866 122.097 121.223 0.013 0.000 2.281 32 L HA 0.249 4.590 4.340 0.001 0.000 0.285 32 L C 0.945 177.834 176.870 0.031 0.000 1.074 32 L CA -0.628 54.223 54.840 0.018 0.000 0.817 32 L CB 0.880 42.944 42.059 0.009 0.000 1.168 32 L HN 0.027 nan 8.230 nan 0.000 0.434 33 R N 2.551 123.081 120.500 0.049 0.000 2.345 33 R HA 0.175 4.516 4.340 0.001 0.000 0.331 33 R C -0.818 175.570 176.300 0.148 0.000 1.067 33 R CA 0.268 56.427 56.100 0.099 0.000 0.962 33 R CB 0.053 30.400 30.300 0.078 0.000 0.987 33 R HN 0.566 nan 8.270 nan 0.000 0.451 34 T N 3.135 117.756 114.554 0.111 0.000 2.885 34 T HA 0.439 4.789 4.350 0.001 0.000 0.285 34 T C -1.221 173.315 174.700 -0.272 0.000 1.019 34 T CA -0.697 61.363 62.100 -0.067 0.000 1.010 34 T CB 1.953 70.781 68.868 -0.066 0.000 1.022 34 T HN 0.346 nan 8.240 nan 0.000 0.466 35 V N 3.606 123.121 119.914 -0.665 0.000 2.604 35 V HA 0.636 4.757 4.120 0.001 0.000 0.305 35 V C -1.155 174.769 176.094 -0.285 0.000 1.043 35 V CA -1.019 60.889 62.300 -0.654 0.000 0.888 35 V CB 1.188 32.250 31.823 -1.268 0.000 0.995 35 V HN 0.816 nan 8.190 nan 0.000 0.429 36 I N 7.251 127.772 120.570 -0.081 0.000 2.339 36 I HA 0.430 4.601 4.170 0.001 0.000 0.290 36 I C -0.679 175.560 176.117 0.203 0.000 0.994 36 I CA -0.391 60.920 61.300 0.019 0.000 1.191 36 I CB 1.504 39.445 38.000 -0.099 0.000 1.343 36 I HN 0.354 nan 8.210 nan 0.000 0.458 37 L N 6.640 127.929 121.223 0.111 0.000 2.294 37 L HA 0.658 4.998 4.340 0.001 0.000 0.283 37 L C 0.246 177.315 176.870 0.331 0.000 1.015 37 L CA -0.459 54.485 54.840 0.172 0.000 0.831 37 L CB 1.358 43.377 42.059 -0.065 0.000 1.217 37 L HN 0.661 nan 8.230 nan 0.000 0.420 38 A N 5.542 128.524 122.820 0.271 0.000 2.310 38 A HA 0.636 4.957 4.320 0.001 0.000 0.299 38 A C -1.643 175.736 177.584 -0.343 0.000 1.147 38 A CA -1.418 50.665 52.037 0.078 0.000 0.818 38 A CB 0.552 19.645 19.000 0.154 0.000 1.096 38 A HN 0.550 nan 8.150 nan 0.000 0.495 39 P HA -0.031 nan 4.420 nan 0.000 0.219 39 P C 0.580 177.634 177.300 -0.411 0.000 1.150 39 P CA 1.734 64.308 63.100 -0.877 0.000 0.814 39 P CB -0.002 31.202 31.700 -0.827 0.000 0.787 40 T N -5.159 109.211 114.554 -0.306 0.000 2.883 40 T HA 0.405 4.756 4.350 0.001 0.000 0.296 40 T C 1.008 175.631 174.700 -0.128 0.000 1.117 40 T CA -0.932 61.047 62.100 -0.201 0.000 1.006 40 T CB 2.124 70.835 68.868 -0.262 0.000 1.191 40 T HN -0.243 nan 8.240 nan 0.000 0.508 41 R N 0.177 120.627 120.500 -0.083 0.000 2.091 41 R HA -0.062 4.279 4.340 0.001 0.000 0.238 41 R C 2.152 178.462 176.300 0.017 0.000 1.136 41 R CA 1.593 57.679 56.100 -0.023 0.000 0.959 41 R CB -0.810 29.484 30.300 -0.011 0.000 0.856 41 R HN 0.603 nan 8.270 nan 0.000 0.437 42 V N 0.261 120.167 119.914 -0.012 0.000 2.307 42 V HA -0.191 3.930 4.120 0.001 0.000 0.245 42 V C 2.421 178.531 176.094 0.027 0.000 1.045 42 V CA 1.451 63.773 62.300 0.038 0.000 1.024 42 V CB -0.354 31.489 31.823 0.034 0.000 0.651 42 V HN 0.095 nan 8.190 nan 0.000 0.449 43 V N 0.459 120.346 119.914 -0.045 0.000 2.343 43 V HA -0.262 3.858 4.120 0.001 0.000 0.247 43 V C 2.752 178.893 176.094 0.078 0.000 1.051 43 V CA 1.970 64.258 62.300 -0.020 0.000 1.036 43 V CB -1.204 30.561 31.823 -0.098 0.000 0.654 43 V HN 0.552 nan 8.190 nan 0.000 0.451 44 A N -0.287 122.568 122.820 0.059 0.000 1.892 44 A HA -0.258 4.063 4.320 0.001 0.000 0.218 44 A C 2.503 180.128 177.584 0.068 0.000 1.188 44 A CA 2.528 54.602 52.037 0.062 0.000 0.631 44 A CB -0.848 17.993 19.000 -0.265 0.000 0.822 44 A HN 0.508 nan 8.150 nan 0.000 0.447 45 S N -0.538 115.210 115.700 0.080 0.000 2.368 45 S HA -0.167 4.304 4.470 0.001 0.000 0.225 45 S C 1.870 176.561 174.600 0.152 0.000 1.030 45 S CA 1.482 59.759 58.200 0.128 0.000 0.999 45 S CB -0.324 62.984 63.200 0.181 0.000 0.844 45 S HN 0.690 nan 8.310 nan 0.000 0.459 46 E N 0.479 120.755 120.200 0.126 0.000 2.058 46 E HA -0.128 4.223 4.350 0.001 0.000 0.194 46 E C 2.141 178.779 176.600 0.064 0.000 0.997 46 E CA 1.547 58.005 56.400 0.098 0.000 0.801 46 E CB -0.289 29.459 29.700 0.079 0.000 0.746 46 E HN 0.384 nan 8.360 nan 0.000 0.450 47 T N 0.211 114.807 114.554 0.070 0.000 2.788 47 T HA -0.183 4.168 4.350 0.001 0.000 0.268 47 T C 1.520 176.139 174.700 -0.135 0.000 1.044 47 T CA 1.035 63.102 62.100 -0.055 0.000 1.139 47 T CB -0.364 68.454 68.868 -0.083 0.000 0.867 47 T HN 0.287 nan 8.240 nan 0.000 0.454 48 Y N 1.854 122.080 120.300 -0.123 0.000 2.181 48 Y HA -0.174 4.378 4.550 0.002 0.000 0.288 48 Y C 2.349 178.201 175.900 -0.080 0.000 1.146 48 Y CA 1.558 59.574 58.100 -0.140 0.000 1.164 48 Y CB -0.049 38.313 38.460 -0.164 0.000 0.982 48 Y HN 0.299 nan 8.280 nan 0.000 0.515 49 E N 0.043 120.244 120.200 0.001 0.000 2.031 49 E HA -0.243 4.108 4.350 0.001 0.000 0.193 49 E C 2.322 178.853 176.600 -0.114 0.000 0.994 49 E CA 1.083 57.454 56.400 -0.048 0.000 0.800 49 E CB -0.407 29.315 29.700 0.036 0.000 0.752 49 E HN 0.555 nan 8.360 nan 0.000 0.447 50 A N 0.695 123.457 122.820 -0.096 0.000 2.076 50 A HA -0.122 4.199 4.320 0.001 0.000 0.220 50 A C 1.789 179.283 177.584 -0.150 0.000 1.160 50 A CA 1.037 53.011 52.037 -0.104 0.000 0.653 50 A CB -0.243 18.703 19.000 -0.089 0.000 0.801 50 A HN 0.157 nan 8.150 nan 0.000 0.455 51 L N -0.890 120.199 121.223 -0.224 0.000 3.017 51 L HA 0.221 4.561 4.340 0.001 0.000 0.255 51 L C 0.785 177.473 176.870 -0.303 0.000 1.247 51 L CA -0.456 54.231 54.840 -0.255 0.000 1.038 51 L CB 0.092 41.971 42.059 -0.300 0.000 1.380 51 L HN 0.234 nan 8.230 nan 0.000 0.548 52 R N 0.273 120.606 120.500 -0.278 0.000 2.570 52 R HA 0.258 4.599 4.340 0.001 0.000 0.277 52 R C 1.255 177.462 176.300 -0.156 0.000 1.039 52 R CA 1.293 57.244 56.100 -0.247 0.000 1.065 52 R CB 0.423 30.624 30.300 -0.166 0.000 0.964 52 R HN 0.344 nan 8.270 nan 0.000 0.428 53 G N 2.287 111.011 108.800 -0.127 0.000 2.217 53 G HA2 -0.247 3.714 3.960 0.001 0.000 0.246 53 G HA3 -0.247 3.714 3.960 0.001 0.000 0.246 53 G C -0.179 174.678 174.900 -0.072 0.000 0.990 53 G CA 0.176 45.229 45.100 -0.078 0.000 0.627 53 G HN 0.538 nan 8.290 nan 0.000 0.522 54 E N 1.362 121.502 120.200 -0.101 0.000 2.231 54 E HA 0.550 4.901 4.350 0.001 0.000 0.277 54 E C -1.982 174.591 176.600 -0.046 0.000 0.999 54 E CA -2.109 54.244 56.400 -0.078 0.000 0.827 54 E CB 1.239 30.875 29.700 -0.107 0.000 1.101 54 E HN 0.118 nan 8.360 nan 0.000 0.393 55 P HA 0.161 nan 4.420 nan 0.000 0.241 55 P C -0.691 176.642 177.300 0.054 0.000 1.760 55 P CA 0.299 63.414 63.100 0.025 0.000 1.081 55 P CB -0.359 31.355 31.700 0.024 0.000 1.975 56 I N 1.865 122.484 120.570 0.082 0.000 2.378 56 I HA 0.333 4.504 4.170 0.001 0.000 0.291 56 I C 0.912 177.194 176.117 0.275 0.000 0.992 56 I CA -0.948 60.443 61.300 0.152 0.000 1.154 56 I CB 2.233 40.299 38.000 0.110 0.000 1.315 56 I HN -0.021 nan 8.210 nan 0.000 0.448 57 R N 5.840 126.495 120.500 0.259 0.000 2.205 57 R HA 0.173 4.514 4.340 0.001 0.000 0.342 57 R C -1.330 175.186 176.300 0.359 0.000 1.058 57 R CA -0.528 55.733 56.100 0.268 0.000 0.904 57 R CB 0.512 30.926 30.300 0.191 0.000 1.089 57 R HN 0.451 nan 8.270 nan 0.000 0.471 58 Y N 6.644 127.050 120.300 0.176 0.000 2.452 58 Y HA 0.114 4.665 4.550 0.001 0.000 0.348 58 Y C 0.063 175.931 175.900 -0.054 0.000 0.985 58 Y CA -0.777 57.357 58.100 0.057 0.000 1.214 58 Y CB 0.564 38.891 38.460 -0.223 0.000 1.136 58 Y HN 0.501 nan 8.280 nan 0.000 0.523 70 N N 2.222 120.946 118.700 0.040 0.000 2.372 70 N HA 0.503 5.244 4.740 0.001 0.000 0.291 70 N C -1.149 174.390 175.510 0.047 0.000 1.024 70 N CA -0.249 52.826 53.050 0.042 0.000 0.873 70 N CB 1.851 40.357 38.487 0.033 0.000 1.206 70 N HN 0.620 nan 8.380 nan 0.000 0.486 71 E N 1.632 121.867 120.200 0.058 0.000 2.343 71 E HA 0.314 4.665 4.350 0.001 0.000 0.270 71 E C 0.309 176.952 176.600 0.072 0.000 0.895 71 E CA -0.619 55.821 56.400 0.066 0.000 0.767 71 E CB 1.482 31.233 29.700 0.086 0.000 1.248 71 E HN 0.570 nan 8.360 nan 0.000 0.440 72 I N -1.512 119.098 120.570 0.067 0.000 4.018 72 I HA 0.298 4.469 4.170 0.001 0.000 0.337 72 I C 0.262 176.440 176.117 0.101 0.000 1.327 72 I CA -0.445 60.901 61.300 0.077 0.000 1.100 72 I CB 1.120 39.152 38.000 0.053 0.000 1.025 72 I HN 0.152 nan 8.210 nan 0.000 0.396 73 V N 2.507 122.477 119.914 0.093 0.000 2.378 73 V HA 0.479 4.599 4.120 0.001 0.000 0.288 73 V C -1.202 174.972 176.094 0.133 0.000 1.016 73 V CA -0.253 62.096 62.300 0.083 0.000 0.840 73 V CB 1.483 33.318 31.823 0.021 0.000 0.994 73 V HN 0.124 nan 8.190 nan 0.000 0.431 74 D N 5.358 125.850 120.400 0.154 0.000 2.332 74 D HA 0.496 5.136 4.640 0.001 0.000 0.252 74 D C -0.940 175.518 176.300 0.263 0.000 1.050 74 D CA 0.158 54.291 54.000 0.221 0.000 0.970 74 D CB 1.956 42.928 40.800 0.287 0.000 1.141 74 D HN 0.566 nan 8.370 nan 0.000 0.485 75 F N 1.537 121.559 119.950 0.120 0.000 2.607 75 F HA 0.420 4.948 4.527 0.001 0.000 0.322 75 F C -1.143 174.783 175.800 0.210 0.000 1.176 75 F CA -0.654 57.417 58.000 0.118 0.000 0.977 75 F CB 0.777 39.846 39.000 0.114 0.000 1.242 75 F HN 0.315 nan 8.300 nan 0.000 0.465 76 M N 4.533 124.108 119.600 -0.041 0.000 2.813 76 M HA 0.579 5.060 4.480 0.001 0.000 0.270 76 M C -1.703 174.547 176.300 -0.083 0.000 1.267 76 M CA -0.678 54.555 55.300 -0.113 0.000 0.822 76 M CB 1.830 34.470 32.600 0.067 0.000 1.671 76 M HN 0.411 nan 8.290 nan 0.000 0.468 77 C N 1.348 120.628 119.300 -0.034 0.000 2.500 77 C HA 0.313 4.774 4.460 0.001 0.000 0.367 77 C C 1.782 176.883 174.990 0.184 0.000 1.283 77 C CA -0.181 58.847 59.018 0.018 0.000 2.456 77 C CB -0.132 27.595 27.740 -0.022 0.000 2.457 77 C HN 0.927 nan 8.230 nan 0.000 0.632 78 H N 1.153 120.254 119.070 0.051 0.000 2.319 78 H HA -0.121 4.436 4.556 0.001 0.000 0.297 78 H C 2.392 177.786 175.328 0.109 0.000 1.097 78 H CA 2.368 58.460 56.048 0.074 0.000 1.285 78 H CB -0.761 29.036 29.762 0.059 0.000 1.368 78 H HN 0.791 nan 8.280 nan 0.000 0.495 79 S N -0.610 115.198 115.700 0.179 0.000 2.387 79 S HA -0.111 4.359 4.470 0.001 0.000 0.226 79 S C 2.130 176.764 174.600 0.057 0.000 1.026 79 S CA 1.299 59.545 58.200 0.077 0.000 0.972 79 S CB -0.602 62.609 63.200 0.018 0.000 0.814 79 S HN 0.371 nan 8.310 nan 0.000 0.477 80 T N 1.995 116.594 114.554 0.075 0.000 2.684 80 T HA -0.035 4.316 4.350 0.001 0.000 0.267 80 T C 1.266 176.026 174.700 0.099 0.000 1.036 80 T CA 1.532 63.667 62.100 0.058 0.000 1.148 80 T CB -0.632 68.265 68.868 0.049 0.000 0.863 80 T HN 0.452 nan 8.240 nan 0.000 0.436 81 F N 2.153 122.111 119.950 0.012 0.000 2.069 81 F HA -0.188 4.340 4.527 0.002 0.000 0.298 81 F C 2.782 178.554 175.800 -0.047 0.000 1.113 81 F CA 2.022 60.031 58.000 0.014 0.000 1.214 81 F CB -0.915 38.111 39.000 0.043 0.000 0.978 81 F HN 0.211 nan 8.300 nan 0.000 0.474 82 T N -1.187 113.336 114.554 -0.052 0.000 2.985 82 T HA -0.175 4.175 4.350 0.001 0.000 0.266 82 T C 1.905 176.490 174.700 -0.192 0.000 1.076 82 T CA 1.211 63.176 62.100 -0.224 0.000 1.135 82 T CB -0.381 68.441 68.868 -0.077 0.000 0.890 82 T HN 0.297 nan 8.240 nan 0.000 0.480 83 M N 1.385 120.913 119.600 -0.119 0.000 2.108 83 M HA 0.090 4.570 4.480 0.001 0.000 0.261 83 M C 2.066 178.289 176.300 -0.127 0.000 1.066 83 M CA 1.687 56.917 55.300 -0.117 0.000 1.107 83 M CB -0.565 31.983 32.600 -0.087 0.000 1.356 83 M HN 0.220 nan 8.290 nan 0.000 0.406 84 K N -0.368 119.951 120.400 -0.135 0.000 2.032 84 K HA -0.149 4.172 4.320 0.001 0.000 0.209 84 K C 1.939 178.432 176.600 -0.178 0.000 1.048 84 K CA 1.807 58.015 56.287 -0.132 0.000 0.927 84 K CB -0.545 31.891 32.500 -0.106 0.000 0.712 84 K HN 0.379 nan 8.250 nan 0.000 0.441 85 L N 0.997 122.035 121.223 -0.309 0.000 2.042 85 L HA -0.224 4.116 4.340 0.001 0.000 0.210 85 L C 2.477 179.252 176.870 -0.159 0.000 1.076 85 L CA 1.052 55.701 54.840 -0.319 0.000 0.749 85 L CB -0.473 41.231 42.059 -0.592 0.000 0.893 85 L HN 0.256 nan 8.230 nan 0.000 0.432 86 L N -0.415 120.729 121.223 -0.132 0.000 2.046 86 L HA -0.256 4.085 4.340 0.001 0.000 0.208 86 L C 2.534 179.386 176.870 -0.030 0.000 1.077 86 L CA 1.581 56.392 54.840 -0.048 0.000 0.747 86 L CB -0.200 41.821 42.059 -0.063 0.000 0.896 86 L HN 0.433 nan 8.230 nan 0.000 0.432 87 Q N -0.868 118.896 119.800 -0.060 0.000 2.472 87 Q HA -0.004 4.337 4.340 0.001 0.000 0.208 87 Q C 1.240 177.219 176.000 -0.036 0.000 0.958 87 Q CA 0.599 56.374 55.803 -0.047 0.000 0.932 87 Q CB 0.225 28.926 28.738 -0.061 0.000 1.007 87 Q HN 0.709 nan 8.270 nan 0.000 0.508 88 G N 1.400 110.179 108.800 -0.036 0.000 2.148 88 G HA2 -0.278 3.682 3.960 0.001 0.000 0.254 88 G HA3 -0.278 3.682 3.960 0.001 0.000 0.254 88 G C 0.258 175.143 174.900 -0.026 0.000 0.981 88 G CA 0.332 45.419 45.100 -0.021 0.000 0.670 88 G HN 0.426 nan 8.290 nan 0.000 0.528 89 V N 0.063 119.955 119.914 -0.037 0.000 2.555 89 V HA 0.682 4.803 4.120 0.001 0.000 0.286 89 V C 1.070 177.150 176.094 -0.024 0.000 1.044 89 V CA -0.553 61.730 62.300 -0.029 0.000 1.026 89 V CB 1.053 32.857 31.823 -0.032 0.000 0.981 89 V HN 0.753 nan 8.190 nan 0.000 0.480 90 R N 5.226 125.720 120.500 -0.010 0.000 2.522 90 R HA 0.370 4.711 4.340 0.001 0.000 0.284 90 R C -0.314 175.985 176.300 -0.003 0.000 1.032 90 R CA 0.190 56.290 56.100 -0.000 0.000 1.049 90 R CB 0.576 30.878 30.300 0.003 0.000 0.956 90 R HN 1.210 nan 8.270 nan 0.000 0.422 91 V N 0.835 120.751 119.914 0.004 0.000 2.513 91 V HA 0.536 4.657 4.120 0.001 0.000 0.299 91 V C -2.336 173.731 176.094 -0.046 0.000 1.035 91 V CA -2.514 59.801 62.300 0.024 0.000 0.889 91 V CB 1.333 33.201 31.823 0.075 0.000 0.988 91 V HN 0.693 nan 8.190 nan 0.000 0.440 92 P HA 0.159 nan 4.420 nan 0.000 0.267 92 P C -0.566 176.505 177.300 -0.381 0.000 1.201 92 P CA 0.151 62.980 63.100 -0.453 0.000 0.775 92 P CB 0.157 31.324 31.700 -0.889 0.000 0.854 93 N N 1.512 120.098 118.700 -0.189 0.000 2.819 93 N HA 0.076 4.817 4.740 0.001 0.000 0.284 93 N C -0.762 174.712 175.510 -0.060 0.000 1.196 93 N CA 0.017 53.051 53.050 -0.027 0.000 1.114 93 N CB -0.985 37.514 38.487 0.020 0.000 1.437 93 N HN 0.314 nan 8.380 nan 0.000 0.518 94 Y N 0.448 120.745 120.300 -0.005 0.000 2.597 94 Y HA -0.016 4.535 4.550 0.001 0.000 0.336 94 Y C 1.788 177.591 175.900 -0.161 0.000 1.216 94 Y CA -0.135 57.840 58.100 -0.209 0.000 1.463 94 Y CB 0.582 38.664 38.460 -0.630 0.000 1.303 94 Y HN 0.394 nan 8.280 nan 0.000 0.576 95 N N 1.400 120.132 118.700 0.053 0.000 2.354 95 N HA 0.022 4.763 4.740 0.001 0.000 0.179 95 N C -0.431 175.093 175.510 0.024 0.000 1.021 95 N CA 0.835 53.911 53.050 0.044 0.000 0.887 95 N CB 0.422 38.930 38.487 0.036 0.000 0.974 95 N HN 0.467 nan 8.380 nan 0.000 0.437 96 L N 0.696 121.879 121.223 -0.067 0.000 2.470 96 L HA 0.315 4.656 4.340 0.001 0.000 0.268 96 L C -1.680 175.049 176.870 -0.235 0.000 0.964 96 L CA -0.627 54.175 54.840 -0.062 0.000 0.839 96 L CB 1.496 43.534 42.059 -0.034 0.000 1.276 96 L HN -0.051 nan 8.230 nan 0.000 0.403 97 Y N 4.740 125.030 120.300 -0.017 0.000 2.335 97 Y HA 0.506 5.057 4.550 0.001 0.000 0.338 97 Y C 0.103 175.976 175.900 -0.046 0.000 0.977 97 Y CA -0.517 57.535 58.100 -0.080 0.000 1.114 97 Y CB 1.696 40.140 38.460 -0.027 0.000 1.182 97 Y HN 0.312 nan 8.280 nan 0.000 0.463 98 I N 5.044 125.637 120.570 0.039 0.000 2.382 98 I HA 0.343 4.514 4.170 0.001 0.000 0.285 98 I C -0.535 175.594 176.117 0.020 0.000 1.007 98 I CA -0.580 60.747 61.300 0.044 0.000 1.142 98 I CB 1.312 39.305 38.000 -0.011 0.000 1.289 98 I HN 0.555 nan 8.210 nan 0.000 0.453 99 M N 6.101 125.725 119.600 0.040 0.000 2.088 99 M HA 0.326 4.807 4.480 0.001 0.000 0.346 99 M C -0.834 175.455 176.300 -0.018 0.000 1.111 99 M CA -0.391 54.852 55.300 -0.095 0.000 1.017 99 M CB 0.907 33.246 32.600 -0.435 0.000 1.568 99 M HN 0.447 nan 8.290 nan 0.000 0.445 100 D N 3.757 124.198 120.400 0.068 0.000 2.302 100 D HA 0.098 4.738 4.640 0.001 0.000 0.248 100 D C -0.341 176.005 176.300 0.077 0.000 1.094 100 D CA 0.806 54.844 54.000 0.064 0.000 0.897 100 D CB 0.800 41.632 40.800 0.054 0.000 1.200 100 D HN 0.648 nan 8.370 nan 0.000 0.429 101 E N 1.598 121.824 120.200 0.043 0.000 2.252 101 E HA -0.213 4.138 4.350 0.001 0.000 0.218 101 E C 0.054 176.599 176.600 -0.092 0.000 1.253 101 E CA 0.777 57.171 56.400 -0.009 0.000 0.705 101 E CB -1.862 27.742 29.700 -0.159 0.000 1.172 101 E HN 0.505 nan 8.360 nan 0.000 0.369 102 A N 0.887 123.689 122.820 -0.030 0.000 2.258 102 A HA -0.113 4.208 4.320 0.001 0.000 0.206 102 A C 1.507 179.056 177.584 -0.059 0.000 1.222 102 A CA 1.052 52.976 52.037 -0.187 0.000 0.822 102 A CB -0.608 18.169 19.000 -0.371 0.000 0.804 102 A HN 0.561 nan 8.150 nan 0.000 0.483 103 H N -3.357 115.757 119.070 0.073 0.000 2.575 103 H HA 0.146 4.702 4.556 0.001 0.000 0.267 103 H C 0.134 175.571 175.328 0.182 0.000 0.966 103 H CA -0.615 55.505 56.048 0.120 0.000 1.165 103 H CB -0.452 29.369 29.762 0.099 0.000 1.433 103 H HN 0.270 nan 8.280 nan 0.000 0.544 104 F N 2.714 122.372 119.950 -0.486 0.000 2.608 104 F HA 0.031 4.559 4.527 0.002 0.000 0.380 104 F C 0.885 176.596 175.800 -0.149 0.000 1.083 104 F CA -0.450 57.358 58.000 -0.319 0.000 1.266 104 F CB 0.568 39.419 39.000 -0.249 0.000 1.076 104 F HN 0.097 nan 8.300 nan 0.000 0.574 105 L N 3.758 124.897 121.223 -0.140 0.000 2.607 105 L HA 0.080 4.420 4.340 0.001 0.000 0.228 105 L C 0.133 176.616 176.870 -0.645 0.000 1.123 105 L CA -0.156 54.457 54.840 -0.379 0.000 0.890 105 L CB -0.442 41.453 42.059 -0.274 0.000 1.103 105 L HN 0.484 nan 8.230 nan 0.000 0.468 106 D N 1.274 121.096 120.400 -0.963 0.000 2.458 106 D HA 0.003 4.644 4.640 0.001 0.000 0.243 106 D C -1.197 174.765 176.300 -0.562 0.000 1.146 106 D CA -1.065 52.447 54.000 -0.813 0.000 0.877 106 D CB 1.079 41.224 40.800 -1.091 0.000 1.176 106 D HN -0.075 nan 8.370 nan 0.000 0.461 107 P HA -0.234 nan 4.420 nan 0.000 0.217 107 P C 0.826 178.004 177.300 -0.204 0.000 1.148 107 P CA 1.214 64.132 63.100 -0.304 0.000 0.828 107 P CB 0.125 31.681 31.700 -0.240 0.000 0.783 108 A N -0.055 122.646 122.820 -0.198 0.000 1.902 108 A HA -0.149 4.172 4.320 0.001 0.000 0.217 108 A C 2.410 179.950 177.584 -0.073 0.000 1.181 108 A CA 2.158 54.130 52.037 -0.108 0.000 0.623 108 A CB -1.412 17.540 19.000 -0.081 0.000 0.818 108 A HN 0.211 nan 8.150 nan 0.000 0.443 109 S N -0.218 115.397 115.700 -0.142 0.000 2.368 109 S HA -0.108 4.363 4.470 0.001 0.000 0.224 109 S C 1.854 176.367 174.600 -0.145 0.000 1.029 109 S CA 1.340 59.473 58.200 -0.112 0.000 0.988 109 S CB -0.565 62.624 63.200 -0.018 0.000 0.838 109 S HN 0.332 nan 8.310 nan 0.000 0.462 110 V N 2.325 122.154 119.914 -0.141 0.000 2.343 110 V HA -0.202 3.919 4.120 0.001 0.000 0.247 110 V C 2.730 178.843 176.094 0.031 0.000 1.051 110 V CA 1.716 63.997 62.300 -0.033 0.000 1.036 110 V CB -1.325 30.468 31.823 -0.051 0.000 0.654 110 V HN 0.551 nan 8.190 nan 0.000 0.451 111 A N 0.053 122.877 122.820 0.006 0.000 1.898 111 A HA -0.086 4.235 4.320 0.001 0.000 0.216 111 A C 2.462 180.107 177.584 0.102 0.000 1.181 111 A CA 2.032 54.104 52.037 0.057 0.000 0.620 111 A CB -0.858 18.159 19.000 0.027 0.000 0.819 111 A HN 0.565 nan 8.150 nan 0.000 0.442 112 A N -0.277 122.593 122.820 0.082 0.000 1.892 112 A HA -0.232 4.088 4.320 0.001 0.000 0.218 112 A C 2.227 179.876 177.584 0.109 0.000 1.188 112 A CA 1.868 54.013 52.037 0.179 0.000 0.631 112 A CB -0.570 18.496 19.000 0.110 0.000 0.822 112 A HN 0.537 nan 8.150 nan 0.000 0.447 113 R N -1.141 119.328 120.500 -0.052 0.000 2.112 113 R HA -0.185 4.155 4.340 0.001 0.000 0.242 113 R C 2.384 178.786 176.300 0.170 0.000 1.137 113 R CA 1.648 57.722 56.100 -0.043 0.000 0.944 113 R CB -0.777 29.460 30.300 -0.106 0.000 0.857 113 R HN 0.564 nan 8.270 nan 0.000 0.435 114 G N -0.684 108.230 108.800 0.189 0.000 2.418 114 G HA2 -0.330 3.631 3.960 0.001 0.000 0.217 114 G HA3 -0.330 3.631 3.960 0.001 0.000 0.217 114 G C 1.254 176.253 174.900 0.165 0.000 1.158 114 G CA 0.824 46.043 45.100 0.198 0.000 0.771 114 G HN 0.436 nan 8.290 nan 0.000 0.545 115 Y N 1.134 121.472 120.300 0.063 0.000 2.181 115 Y HA -0.065 4.486 4.550 0.001 0.000 0.288 115 Y C 2.552 178.439 175.900 -0.023 0.000 1.146 115 Y CA 1.473 59.594 58.100 0.035 0.000 1.164 115 Y CB -0.117 38.379 38.460 0.059 0.000 0.982 115 Y HN 0.184 nan 8.280 nan 0.000 0.515 116 I N 0.189 120.787 120.570 0.047 0.000 2.202 116 I HA -0.268 3.903 4.170 0.001 0.000 0.242 116 I C 2.505 178.508 176.117 -0.190 0.000 1.091 116 I CA 1.789 62.950 61.300 -0.232 0.000 1.368 116 I CB -0.467 37.441 38.000 -0.154 0.000 1.058 116 I HN 0.284 nan 8.210 nan 0.000 0.410 117 E N 0.427 120.599 120.200 -0.047 0.000 2.209 117 E HA -0.210 4.141 4.350 0.001 0.000 0.196 117 E C 1.950 178.513 176.600 -0.062 0.000 0.993 117 E CA 1.622 57.999 56.400 -0.039 0.000 0.819 117 E CB 0.111 29.882 29.700 0.118 0.000 0.745 117 E HN 0.455 nan 8.360 nan 0.000 0.477 118 T N 0.651 115.143 114.554 -0.102 0.000 2.857 118 T HA -0.060 4.291 4.350 0.001 0.000 0.266 118 T C 1.706 176.293 174.700 -0.188 0.000 1.048 118 T CA 0.603 62.620 62.100 -0.137 0.000 1.139 118 T CB -0.005 68.771 68.868 -0.154 0.000 0.874 118 T HN 0.079 nan 8.240 nan 0.000 0.455 119 R N 1.047 121.377 120.500 -0.284 0.000 2.075 119 R HA 0.051 4.392 4.340 0.001 0.000 0.232 119 R C 2.509 178.770 176.300 -0.065 0.000 1.126 119 R CA 0.661 56.648 56.100 -0.188 0.000 0.963 119 R CB -1.487 28.707 30.300 -0.175 0.000 0.858 119 R HN 0.332 nan 8.270 nan 0.000 0.435 120 V N 0.983 120.854 119.914 -0.071 0.000 2.307 120 V HA -0.213 3.908 4.120 0.001 0.000 0.245 120 V C 2.585 178.658 176.094 -0.035 0.000 1.045 120 V CA 2.105 64.384 62.300 -0.035 0.000 1.024 120 V CB -0.771 31.012 31.823 -0.068 0.000 0.651 120 V HN 0.398 nan 8.190 nan 0.000 0.449 121 S N -0.356 115.316 115.700 -0.046 0.000 2.382 121 S HA -0.239 4.232 4.470 0.001 0.000 0.228 121 S C 1.975 176.557 174.600 -0.030 0.000 1.027 121 S CA 1.955 60.135 58.200 -0.033 0.000 0.991 121 S CB -0.413 62.769 63.200 -0.030 0.000 0.823 121 S HN 0.524 nan 8.310 nan 0.000 0.469 122 M N 0.299 119.875 119.600 -0.040 0.000 2.460 122 M HA 0.136 4.617 4.480 0.001 0.000 0.263 122 M C 1.654 177.946 176.300 -0.014 0.000 1.071 122 M CA 0.977 56.258 55.300 -0.032 0.000 1.096 122 M CB -0.246 32.326 32.600 -0.047 0.000 1.408 122 M HN 0.631 nan 8.290 nan 0.000 0.463 123 G N -0.151 108.645 108.800 -0.008 0.000 2.157 123 G HA2 -0.213 3.747 3.960 0.001 0.000 0.248 123 G HA3 -0.213 3.747 3.960 0.001 0.000 0.248 123 G C 0.347 175.260 174.900 0.022 0.000 0.979 123 G CA 0.320 45.424 45.100 0.006 0.000 0.650 123 G HN 0.422 nan 8.290 nan 0.000 0.529 124 D N 0.413 120.833 120.400 0.032 0.000 2.312 124 D HA 0.409 5.049 4.640 0.001 0.000 0.211 124 D C 1.372 177.732 176.300 0.100 0.000 0.964 124 D CA 1.702 55.739 54.000 0.062 0.000 0.877 124 D CB 0.321 41.164 40.800 0.072 0.000 0.924 124 D HN 1.198 nan 8.370 nan 0.000 0.515 125 A N -0.660 122.225 122.820 0.109 0.000 2.601 125 A HA 0.612 4.933 4.320 0.001 0.000 0.291 125 A C -0.213 177.439 177.584 0.113 0.000 1.075 125 A CA -0.304 51.827 52.037 0.157 0.000 0.671 125 A CB 1.076 20.290 19.000 0.357 0.000 1.277 125 A HN 0.057 nan 8.150 nan 0.000 0.417 126 G N -0.946 107.918 108.800 0.106 0.000 2.491 126 G HA2 0.862 4.823 3.960 0.001 0.000 0.327 126 G HA3 0.862 4.823 3.960 0.001 0.000 0.327 126 G C -0.285 174.681 174.900 0.109 0.000 1.189 126 G CA 0.014 45.153 45.100 0.064 0.000 0.956 126 G HN 2.088 nan 8.290 nan 0.000 0.491 127 A N -0.412 122.420 122.820 0.021 0.000 2.572 127 A HA 0.763 5.083 4.320 0.001 0.000 0.295 127 A C -1.276 176.268 177.584 -0.066 0.000 1.072 127 A CA -0.555 51.493 52.037 0.018 0.000 0.691 127 A CB 1.328 20.291 19.000 -0.061 0.000 1.291 127 A HN 0.659 nan 8.150 nan 0.000 0.404 128 I N 1.197 121.785 120.570 0.029 0.000 2.447 128 I HA 0.374 4.545 4.170 0.001 0.000 0.287 128 I C -1.195 175.082 176.117 0.267 0.000 1.023 128 I CA -0.023 61.307 61.300 0.050 0.000 1.083 128 I CB 1.706 39.732 38.000 0.043 0.000 1.245 128 I HN 0.591 nan 8.210 nan 0.000 0.434 129 F N 6.357 126.274 119.950 -0.054 0.000 2.404 129 F HA 0.541 5.069 4.527 0.001 0.000 0.354 129 F C 0.125 175.918 175.800 -0.013 0.000 1.122 129 F CA -0.876 57.085 58.000 -0.066 0.000 1.080 129 F CB 1.407 40.335 39.000 -0.119 0.000 1.131 129 F HN 0.191 nan 8.300 nan 0.000 0.471 130 M N 3.796 123.489 119.600 0.154 0.000 2.227 130 M HA 0.440 4.921 4.480 0.001 0.000 0.335 130 M C -0.412 175.953 176.300 0.109 0.000 1.053 130 M CA -0.302 55.059 55.300 0.102 0.000 0.973 130 M CB 2.192 34.827 32.600 0.059 0.000 1.623 130 M HN 0.547 nan 8.290 nan 0.000 0.434 131 T N 0.636 115.261 114.554 0.118 0.000 3.003 131 T HA 0.477 4.828 4.350 0.001 0.000 0.354 131 T C 0.170 174.916 174.700 0.077 0.000 1.651 131 T CA 0.016 62.209 62.100 0.154 0.000 1.103 131 T CB 1.261 70.297 68.868 0.280 0.000 1.450 131 T HN 0.711 nan 8.240 nan 0.000 0.484 132 A N 1.956 124.788 122.820 0.020 0.000 1.969 132 A HA 0.237 4.558 4.320 0.001 0.000 0.218 132 A C 1.300 178.869 177.584 -0.025 0.000 1.169 132 A CA 1.804 53.834 52.037 -0.011 0.000 0.635 132 A CB -0.506 18.468 19.000 -0.043 0.000 0.810 132 A HN 1.381 nan 8.150 nan 0.000 0.445 133 T N -1.717 112.797 114.554 -0.067 0.000 3.241 133 T HA 0.544 4.895 4.350 0.001 0.000 0.387 133 T C -3.139 171.591 174.700 0.049 0.000 1.451 133 T CA -2.120 59.948 62.100 -0.053 0.000 1.363 133 T CB 1.102 69.877 68.868 -0.155 0.000 1.074 133 T HN -0.049 nan 8.240 nan 0.000 0.598 134 P HA 0.211 nan 4.420 nan 0.000 0.266 134 P C -2.506 174.904 177.300 0.183 0.000 1.195 134 P CA -0.954 62.250 63.100 0.173 0.000 0.768 134 P CB -0.354 31.442 31.700 0.160 0.000 0.838 135 P HA -0.019 nan 4.420 nan 0.000 0.260 135 P C 1.076 178.450 177.300 0.123 0.000 1.172 135 P CA 1.679 64.919 63.100 0.233 0.000 0.760 135 P CB -0.080 31.846 31.700 0.377 0.000 0.773 136 G N 1.835 110.673 108.800 0.063 0.000 2.279 136 G HA2 -0.207 3.754 3.960 0.001 0.000 0.223 136 G HA3 -0.207 3.754 3.960 0.001 0.000 0.223 136 G C 0.360 175.271 174.900 0.018 0.000 1.015 136 G CA 0.213 45.318 45.100 0.008 0.000 0.621 136 G HN 0.776 nan 8.290 nan 0.000 0.506 137 T N -2.215 112.363 114.554 0.040 0.000 2.874 137 T HA 0.643 4.994 4.350 0.001 0.000 0.281 137 T C 0.471 175.182 174.700 0.018 0.000 0.994 137 T CA 0.801 62.918 62.100 0.028 0.000 1.015 137 T CB 2.307 71.196 68.868 0.035 0.000 1.028 137 T HN 0.528 nan 8.240 nan 0.000 0.523 138 T N -0.134 114.423 114.554 0.006 0.000 3.475 138 T HA 0.221 4.572 4.350 0.001 0.000 0.310 138 T C -0.395 174.293 174.700 -0.020 0.000 0.963 138 T CA -0.366 61.732 62.100 -0.004 0.000 0.985 138 T CB -0.068 68.802 68.868 0.004 0.000 1.198 138 T HN 0.739 nan 8.240 nan 0.000 0.508 139 E N 0.978 121.161 120.200 -0.027 0.000 2.194 139 E HA 0.638 4.989 4.350 0.001 0.000 0.284 139 E C 0.800 177.328 176.600 -0.119 0.000 1.035 139 E CA -0.026 56.353 56.400 -0.034 0.000 0.836 139 E CB 1.122 30.816 29.700 -0.009 0.000 1.070 139 E HN 0.262 nan 8.360 nan 0.000 0.401 140 A N 4.592 127.295 122.820 -0.195 0.000 2.147 140 A HA 0.139 4.460 4.320 0.001 0.000 0.211 140 A C 0.205 177.311 177.584 -0.798 0.000 1.160 140 A CA 0.113 51.847 52.037 -0.505 0.000 0.781 140 A CB 0.023 18.642 19.000 -0.635 0.000 0.842 140 A HN 0.543 nan 8.150 nan 0.000 0.475 141 F N 1.502 121.360 119.950 -0.152 0.000 2.530 141 F HA 0.298 4.826 4.527 0.001 0.000 0.318 141 F C -2.126 173.599 175.800 -0.124 0.000 1.356 141 F CA -2.410 55.491 58.000 -0.164 0.000 1.135 141 F CB 0.611 39.532 39.000 -0.131 0.000 1.315 141 F HN 0.066 nan 8.300 nan 0.000 0.549 142 P HA 0.205 nan 4.420 nan 0.000 0.274 142 P C -2.483 174.784 177.300 -0.055 0.000 1.260 142 P CA -1.031 62.052 63.100 -0.028 0.000 0.793 142 P CB 0.087 31.762 31.700 -0.043 0.000 1.048 143 P HA 0.226 nan 4.420 nan 0.000 0.274 143 P C -0.535 176.507 177.300 -0.429 0.000 1.256 143 P CA -0.102 62.850 63.100 -0.247 0.000 0.795 143 P CB 0.337 31.862 31.700 -0.291 0.000 1.038 144 S N -1.432 114.003 115.700 -0.440 0.000 2.607 144 S HA 0.345 4.816 4.470 0.001 0.000 0.273 144 S C 0.518 174.981 174.600 -0.227 0.000 1.148 144 S CA -0.887 57.132 58.200 -0.302 0.000 0.833 144 S CB 1.089 64.230 63.200 -0.100 0.000 1.130 144 S HN 0.348 nan 8.310 nan 0.000 0.470 145 N N 0.513 119.196 118.700 -0.028 0.000 2.223 145 N HA -0.051 4.689 4.740 0.001 0.000 0.185 145 N C 0.394 175.913 175.510 0.015 0.000 1.016 145 N CA 1.178 54.257 53.050 0.048 0.000 0.863 145 N CB 0.053 38.599 38.487 0.098 0.000 0.983 145 N HN 0.557 nan 8.380 nan 0.000 0.429 146 S N -0.188 115.517 115.700 0.008 0.000 2.541 146 S HA 0.399 4.870 4.470 0.001 0.000 0.280 146 S C -2.770 171.833 174.600 0.004 0.000 1.112 146 S CA -1.828 56.379 58.200 0.012 0.000 0.925 146 S CB 1.496 64.714 63.200 0.031 0.000 1.067 146 S HN -0.217 nan 8.310 nan 0.000 0.479 147 P HA 0.175 nan 4.420 nan 0.000 0.263 147 P C -1.016 176.301 177.300 0.028 0.000 1.175 147 P CA 0.372 63.476 63.100 0.006 0.000 0.761 147 P CB 0.111 31.815 31.700 0.007 0.000 0.794 148 I N 3.875 124.465 120.570 0.033 0.000 2.404 148 I HA 0.309 4.480 4.170 0.001 0.000 0.293 148 I C 0.439 176.604 176.117 0.080 0.000 0.992 148 I CA -0.800 60.541 61.300 0.069 0.000 1.149 148 I CB 1.210 39.255 38.000 0.076 0.000 1.315 148 I HN 0.137 nan 8.210 nan 0.000 0.446 149 I N 5.597 126.225 120.570 0.096 0.000 2.363 149 I HA 0.082 4.252 4.170 0.001 0.000 0.292 149 I C -0.379 175.824 176.117 0.143 0.000 1.075 149 I CA -0.091 61.260 61.300 0.086 0.000 1.333 149 I CB 0.086 38.125 38.000 0.064 0.000 1.415 149 I HN 0.435 nan 8.210 nan 0.000 0.502 150 D N 7.591 128.081 120.400 0.149 0.000 2.347 150 D HA 0.135 4.776 4.640 0.001 0.000 0.235 150 D C -0.084 176.325 176.300 0.181 0.000 1.149 150 D CA 0.104 54.277 54.000 0.288 0.000 0.850 150 D CB 1.493 42.447 40.800 0.257 0.000 1.061 150 D HN 0.525 nan 8.370 nan 0.000 0.487 151 E N 2.529 122.797 120.200 0.112 0.000 2.255 151 E HA 0.088 4.439 4.350 0.001 0.000 0.245 151 E C -0.723 175.635 176.600 -0.402 0.000 0.909 151 E CA -0.504 55.807 56.400 -0.148 0.000 0.747 151 E CB 0.968 30.532 29.700 -0.227 0.000 1.215 151 E HN 0.344 nan 8.360 nan 0.000 0.424 152 E N 3.079 122.962 120.200 -0.528 0.000 2.324 152 E HA 0.123 4.473 4.350 0.001 0.000 0.271 152 E C -0.691 175.553 176.600 -0.593 0.000 1.028 152 E CA 0.415 56.281 56.400 -0.889 0.000 0.890 152 E CB 1.134 30.426 29.700 -0.680 0.000 1.004 152 E HN 0.390 nan 8.360 nan 0.000 0.431 153 T N 2.889 117.089 114.554 -0.591 0.000 2.671 153 T HA 0.450 4.801 4.350 0.001 0.000 0.300 153 T C -1.377 173.161 174.700 -0.271 0.000 1.238 153 T CA -0.789 61.014 62.100 -0.496 0.000 1.020 153 T CB 0.866 69.221 68.868 -0.854 0.000 1.503 153 T HN 0.434 nan 8.240 nan 0.000 0.497 154 R N 1.258 121.691 120.500 -0.112 0.000 2.229 154 R HA 0.695 5.036 4.340 0.001 0.000 0.328 154 R C -0.733 175.773 176.300 0.344 0.000 1.009 154 R CA -0.225 55.945 56.100 0.117 0.000 0.864 154 R CB 0.638 31.024 30.300 0.142 0.000 1.085 154 R HN 0.421 nan 8.270 nan 0.000 0.453 155 I N 4.495 125.178 120.570 0.188 0.000 2.436 155 I HA 0.367 4.537 4.170 0.001 0.000 0.289 155 I C -2.079 173.974 176.117 -0.106 0.000 1.010 155 I CA -2.559 58.769 61.300 0.047 0.000 1.098 155 I CB 2.136 40.141 38.000 0.007 0.000 1.266 155 I HN 0.336 nan 8.210 nan 0.000 0.434 156 P HA 0.115 nan 4.420 nan 0.000 0.271 156 P C -0.382 176.894 177.300 -0.040 0.000 1.216 156 P CA -0.156 62.666 63.100 -0.462 0.000 0.771 156 P CB 0.552 31.683 31.700 -0.950 0.000 0.864 157 D N 1.753 122.166 120.400 0.021 0.000 2.349 157 D HA 0.021 4.662 4.640 0.001 0.000 0.214 157 D C 0.201 176.534 176.300 0.055 0.000 1.063 157 D CA 0.329 54.371 54.000 0.071 0.000 0.847 157 D CB 0.124 40.991 40.800 0.112 0.000 0.933 157 D HN 0.480 nan 8.370 nan 0.000 0.513 158 K N -1.468 118.977 120.400 0.075 0.000 2.428 158 K HA 0.711 5.031 4.320 0.001 0.000 0.279 158 K C -0.900 175.818 176.600 0.195 0.000 1.041 158 K CA -1.250 55.090 56.287 0.088 0.000 0.887 158 K CB 0.821 33.367 32.500 0.077 0.000 1.535 158 K HN -0.110 nan 8.250 nan 0.000 0.417 159 A N 0.459 123.348 122.820 0.115 0.000 2.520 159 A HA 0.299 4.620 4.320 0.001 0.000 0.235 159 A C -0.855 176.862 177.584 0.222 0.000 1.065 159 A CA 0.330 52.404 52.037 0.063 0.000 0.764 159 A CB -0.709 18.236 19.000 -0.092 0.000 1.002 159 A HN 0.675 nan 8.150 nan 0.000 0.502 160 W N 1.539 122.818 121.300 -0.036 0.000 2.915 160 W HA 0.690 5.351 4.660 0.001 0.000 0.337 160 W C -0.341 176.201 176.519 0.037 0.000 1.102 160 W CA -1.011 56.354 57.345 0.033 0.000 1.224 160 W CB 0.968 30.483 29.460 0.091 0.000 1.416 160 W HN 0.479 nan 8.180 nan 0.000 0.503 161 N N 0.936 119.725 118.700 0.149 0.000 2.395 161 N HA 0.066 4.807 4.740 0.001 0.000 0.175 161 N C 0.048 175.629 175.510 0.118 0.000 1.029 161 N CA 1.152 54.229 53.050 0.045 0.000 0.897 161 N CB 0.410 38.927 38.487 0.050 0.000 0.991 161 N HN 0.598 nan 8.380 nan 0.000 0.441 162 S N -2.497 113.369 115.700 0.277 0.000 2.727 162 S HA 0.699 5.170 4.470 0.001 0.000 0.278 162 S C 0.131 174.940 174.600 0.350 0.000 1.186 162 S CA -0.231 58.130 58.200 0.269 0.000 0.836 162 S CB 1.346 64.629 63.200 0.139 0.000 1.186 162 S HN 0.457 nan 8.310 nan 0.000 0.499 163 G N 0.050 108.955 108.800 0.174 0.000 2.796 163 G HA2 0.043 4.004 3.960 0.001 0.000 0.226 163 G HA3 0.043 4.004 3.960 0.001 0.000 0.226 163 G C -0.217 174.713 174.900 0.050 0.000 1.381 163 G CA 0.302 45.395 45.100 -0.011 0.000 0.867 163 G HN 2.193 nan 8.290 nan 0.000 0.552 164 Y N -1.228 119.030 120.300 -0.070 0.000 3.305 164 Y HA -0.244 4.307 4.550 0.001 0.000 0.212 164 Y C 2.188 177.899 175.900 -0.314 0.000 1.248 164 Y CA 1.561 59.462 58.100 -0.332 0.000 1.359 164 Y CB -1.788 36.186 38.460 -0.809 0.000 1.407 164 Y HN 0.800 nan 8.280 nan 0.000 0.572 165 E N 0.326 120.545 120.200 0.032 0.000 2.208 165 E HA -0.195 4.156 4.350 0.001 0.000 0.193 165 E C 1.981 178.630 176.600 0.081 0.000 0.988 165 E CA 1.258 57.709 56.400 0.084 0.000 0.828 165 E CB -0.791 28.980 29.700 0.119 0.000 0.763 165 E HN 0.903 nan 8.360 nan 0.000 0.478 166 W N 2.173 123.522 121.300 0.081 0.000 2.341 166 W HA -0.147 4.513 4.660 0.001 0.000 0.283 166 W C 1.602 178.167 176.519 0.076 0.000 1.215 166 W CA 0.532 57.914 57.345 0.062 0.000 1.211 166 W CB -0.881 28.575 29.460 -0.007 0.000 1.131 166 W HN -0.054 nan 8.180 nan 0.000 0.552 167 I N 1.976 122.118 120.570 -0.713 0.000 2.193 167 I HA -0.241 3.929 4.170 0.001 0.000 0.240 167 I C 2.696 178.869 176.117 0.094 0.000 1.084 167 I CA 2.427 63.386 61.300 -0.568 0.000 1.365 167 I CB -1.036 36.501 38.000 -0.773 0.000 1.064 167 I HN -0.049 nan 8.210 nan 0.000 0.410 168 T N -2.170 112.466 114.554 0.136 0.000 3.054 168 T HA 0.057 4.408 4.350 0.001 0.000 0.259 168 T C 0.946 175.793 174.700 0.245 0.000 1.092 168 T CA 0.338 62.586 62.100 0.246 0.000 1.121 168 T CB -0.137 68.851 68.868 0.199 0.000 0.912 168 T HN 0.083 nan 8.240 nan 0.000 0.489 169 E N 1.467 121.799 120.200 0.221 0.000 2.028 169 E HA 0.457 4.807 4.350 0.001 0.000 0.275 169 E C -1.357 175.428 176.600 0.310 0.000 1.171 169 E CA -0.360 56.170 56.400 0.216 0.000 1.186 169 E CB -0.285 29.518 29.700 0.172 0.000 1.256 169 E HN 0.507 nan 8.360 nan 0.000 0.474 170 F N 0.843 120.855 119.950 0.104 0.000 2.604 170 F HA 0.178 4.706 4.527 0.001 0.000 0.316 170 F C -0.309 175.517 175.800 0.043 0.000 1.136 170 F CA -1.021 57.026 58.000 0.078 0.000 0.989 170 F CB 1.620 40.671 39.000 0.085 0.000 1.258 170 F HN -0.108 nan 8.300 nan 0.000 0.451 171 D N 1.998 122.041 120.400 -0.596 0.000 2.348 171 D HA 0.247 4.888 4.640 0.001 0.000 0.211 171 D C 1.033 177.072 176.300 -0.435 0.000 0.998 171 D CA 0.612 54.374 54.000 -0.396 0.000 0.873 171 D CB 0.225 40.833 40.800 -0.321 0.000 0.925 171 D HN 0.571 nan 8.370 nan 0.000 0.524 172 G N -0.473 107.887 108.800 -0.734 0.000 2.938 172 G HA2 0.556 4.517 3.960 0.001 0.000 0.258 172 G HA3 0.556 4.517 3.960 0.001 0.000 0.258 172 G C -0.738 174.124 174.900 -0.064 0.000 1.356 172 G CA -1.080 43.801 45.100 -0.365 0.000 1.052 172 G HN -0.112 nan 8.290 nan 0.000 0.550 173 R N -0.322 120.124 120.500 -0.091 0.000 2.297 173 R HA 0.540 4.881 4.340 0.001 0.000 0.308 173 R C -0.739 175.573 176.300 0.020 0.000 1.029 173 R CA -0.071 55.908 56.100 -0.202 0.000 0.929 173 R CB 1.382 31.275 30.300 -0.678 0.000 1.046 173 R HN 0.367 nan 8.270 nan 0.000 0.461 174 T N 2.230 116.730 114.554 -0.090 0.000 2.824 174 T HA 0.314 4.665 4.350 0.001 0.000 0.282 174 T C -0.575 174.104 174.700 -0.035 0.000 0.993 174 T CA -0.637 61.343 62.100 -0.200 0.000 0.967 174 T CB 1.722 70.166 68.868 -0.708 0.000 0.960 174 T HN 0.136 nan 8.240 nan 0.000 0.441 175 V N 4.045 123.933 119.914 -0.043 0.000 2.370 175 V HA 0.402 4.522 4.120 0.001 0.000 0.279 175 V C -0.821 175.270 176.094 -0.005 0.000 1.029 175 V CA -0.894 61.294 62.300 -0.187 0.000 0.870 175 V CB 1.076 32.643 31.823 -0.427 0.000 0.984 175 V HN 0.788 nan 8.190 nan 0.000 0.451 176 W N 7.076 128.264 121.300 -0.187 0.000 2.411 176 W HA 0.571 5.231 4.660 0.001 0.000 0.317 176 W C -1.374 175.070 176.519 -0.125 0.000 1.030 176 W CA -2.180 55.150 57.345 -0.026 0.000 1.239 176 W CB 1.377 30.889 29.460 0.087 0.000 1.304 176 W HN 0.414 nan 8.180 nan 0.000 0.437 177 F N 5.990 126.219 119.950 0.465 0.000 2.424 177 F HA 0.281 4.809 4.527 0.001 0.000 0.356 177 F C 0.930 176.925 175.800 0.325 0.000 1.110 177 F CA -0.325 57.861 58.000 0.310 0.000 1.161 177 F CB 0.646 39.780 39.000 0.222 0.000 1.115 177 F HN 0.098 nan 8.300 nan 0.000 0.507 178 V N 0.735 120.821 119.914 0.288 0.000 3.093 178 V HA 0.409 4.530 4.120 0.001 0.000 0.320 178 V C 0.402 176.579 176.094 0.138 0.000 1.093 178 V CA -0.686 61.673 62.300 0.098 0.000 1.016 178 V CB 1.532 33.289 31.823 -0.110 0.000 1.096 178 V HN 0.806 nan 8.190 nan 0.000 0.452 179 H N -0.122 119.029 119.070 0.136 0.000 2.551 179 H HA 0.599 5.156 4.556 0.001 0.000 0.271 179 H C 0.364 175.737 175.328 0.076 0.000 0.984 179 H CA -0.116 55.997 56.048 0.108 0.000 1.164 179 H CB -0.520 29.295 29.762 0.089 0.000 1.437 179 H HN 1.029 nan 8.280 nan 0.000 0.550 180 S N -1.495 114.343 115.700 0.230 0.000 2.611 180 S HA 0.250 4.721 4.470 0.001 0.000 0.270 180 S C 0.375 175.032 174.600 0.096 0.000 1.131 180 S CA -0.657 57.657 58.200 0.189 0.000 0.826 180 S CB 0.112 63.474 63.200 0.270 0.000 1.095 180 S HN 0.060 nan 8.310 nan 0.000 0.461 181 I N 1.454 122.081 120.570 0.096 0.000 2.226 181 I HA -0.145 4.025 4.170 0.001 0.000 0.245 181 I C 2.697 178.852 176.117 0.064 0.000 1.100 181 I CA 1.745 63.102 61.300 0.095 0.000 1.374 181 I CB -0.298 37.789 38.000 0.146 0.000 1.057 181 I HN 0.880 nan 8.210 nan 0.000 0.413 182 K N 0.870 121.312 120.400 0.071 0.000 2.032 182 K HA -0.292 4.029 4.320 0.001 0.000 0.209 182 K C 2.255 178.855 176.600 -0.001 0.000 1.048 182 K CA 1.800 58.111 56.287 0.040 0.000 0.927 182 K CB -0.182 32.357 32.500 0.064 0.000 0.712 182 K HN 0.288 nan 8.250 nan 0.000 0.441 183 Q N -0.463 119.327 119.800 -0.017 0.000 2.084 183 Q HA -0.119 4.221 4.340 0.001 0.000 0.202 183 Q C 1.985 177.895 176.000 -0.151 0.000 0.978 183 Q CA 1.726 57.458 55.803 -0.118 0.000 0.844 183 Q CB -0.263 28.272 28.738 -0.340 0.000 0.898 183 Q HN 0.541 nan 8.270 nan 0.000 0.426 184 G N 0.147 108.882 108.800 -0.109 0.000 2.432 184 G HA2 -0.234 3.727 3.960 0.001 0.000 0.219 184 G HA3 -0.234 3.727 3.960 0.001 0.000 0.219 184 G C 1.402 176.308 174.900 0.010 0.000 1.135 184 G CA 0.839 45.886 45.100 -0.089 0.000 0.767 184 G HN 0.480 nan 8.290 nan 0.000 0.550 185 A N 0.595 123.411 122.820 -0.007 0.000 1.898 185 A HA 0.018 4.338 4.320 0.001 0.000 0.216 185 A C 2.141 179.690 177.584 -0.057 0.000 1.181 185 A CA 1.916 53.925 52.037 -0.047 0.000 0.620 185 A CB -0.391 18.542 19.000 -0.111 0.000 0.819 185 A HN 0.459 nan 8.150 nan 0.000 0.442 186 E N -0.380 119.773 120.200 -0.080 0.000 2.107 186 E HA -0.111 4.240 4.350 0.001 0.000 0.191 186 E C 1.835 178.349 176.600 -0.142 0.000 0.982 186 E CA 0.939 57.282 56.400 -0.095 0.000 0.809 186 E CB -0.151 29.508 29.700 -0.068 0.000 0.756 186 E HN 0.664 nan 8.360 nan 0.000 0.459 187 I N 0.292 120.744 120.570 -0.197 0.000 2.286 187 I HA -0.111 4.060 4.170 0.001 0.000 0.245 187 I C 2.481 178.390 176.117 -0.348 0.000 1.104 187 I CA 1.028 62.136 61.300 -0.320 0.000 1.397 187 I CB -0.352 37.270 38.000 -0.629 0.000 1.072 187 I HN 0.212 nan 8.210 nan 0.000 0.417 188 G N 0.054 108.719 108.800 -0.224 0.000 2.418 188 G HA2 -0.213 3.748 3.960 0.001 0.000 0.217 188 G HA3 -0.213 3.748 3.960 0.001 0.000 0.217 188 G C 1.644 176.498 174.900 -0.077 0.000 1.158 188 G CA 1.333 46.339 45.100 -0.156 0.000 0.771 188 G HN 0.262 nan 8.290 nan 0.000 0.545 189 T N -0.114 114.419 114.554 -0.036 0.000 2.788 189 T HA -0.191 4.159 4.350 0.001 0.000 0.268 189 T C 2.319 176.903 174.700 -0.193 0.000 1.044 189 T CA 1.219 63.269 62.100 -0.083 0.000 1.139 189 T CB -0.492 68.322 68.868 -0.090 0.000 0.867 189 T HN 0.384 nan 8.240 nan 0.000 0.454 190 C N 0.872 119.991 119.300 -0.301 0.000 2.440 190 C HA 0.094 4.555 4.460 0.001 0.000 0.278 190 C C 2.557 177.240 174.990 -0.512 0.000 1.295 190 C CA 0.339 59.062 59.018 -0.492 0.000 1.738 190 C CB -1.479 25.803 27.740 -0.764 0.000 1.987 190 C HN 0.536 nan 8.230 nan 0.000 0.492 191 L N 0.128 121.090 121.223 -0.436 0.000 2.109 191 L HA -0.129 4.211 4.340 0.001 0.000 0.207 191 L C 2.839 179.572 176.870 -0.227 0.000 1.086 191 L CA 1.422 56.036 54.840 -0.377 0.000 0.760 191 L CB -0.707 41.044 42.059 -0.512 0.000 0.910 191 L HN 0.414 nan 8.230 nan 0.000 0.437 192 Q N 0.060 119.760 119.800 -0.167 0.000 2.079 192 Q HA -0.254 4.087 4.340 0.001 0.000 0.200 192 Q C 2.186 178.133 176.000 -0.088 0.000 0.974 192 Q CA 1.468 57.221 55.803 -0.082 0.000 0.840 192 Q CB -0.101 28.619 28.738 -0.030 0.000 0.898 192 Q HN 0.350 nan 8.270 nan 0.000 0.430 193 K N 0.675 120.996 120.400 -0.132 0.000 2.103 193 K HA -0.134 4.187 4.320 0.001 0.000 0.207 193 K C 1.541 178.069 176.600 -0.121 0.000 1.048 193 K CA 1.308 57.517 56.287 -0.130 0.000 0.930 193 K CB -0.093 32.304 32.500 -0.172 0.000 0.716 193 K HN 0.151 nan 8.250 nan 0.000 0.444 194 A N 0.004 122.735 122.820 -0.149 0.000 2.259 194 A HA 0.233 4.554 4.320 0.001 0.000 0.208 194 A C 1.172 178.733 177.584 -0.039 0.000 1.201 194 A CA 0.669 52.646 52.037 -0.101 0.000 0.824 194 A CB -0.414 18.511 19.000 -0.124 0.000 0.838 194 A HN 0.600 nan 8.150 nan 0.000 0.485 195 G N -0.672 108.107 108.800 -0.034 0.000 2.141 195 G HA2 -0.207 3.754 3.960 0.001 0.000 0.242 195 G HA3 -0.207 3.754 3.960 0.001 0.000 0.242 195 G C 0.041 174.961 174.900 0.034 0.000 0.982 195 G CA 0.223 45.325 45.100 0.003 0.000 0.662 195 G HN 0.397 nan 8.290 nan 0.000 0.527 196 K N 0.286 120.703 120.400 0.030 0.000 2.174 196 K HA 0.415 4.736 4.320 0.001 0.000 0.275 196 K C 0.243 176.901 176.600 0.098 0.000 1.015 196 K CA -0.649 55.697 56.287 0.099 0.000 0.933 196 K CB 1.584 34.150 32.500 0.110 0.000 1.025 196 K HN 0.261 nan 8.250 nan 0.000 0.463 197 K N 1.875 122.371 120.400 0.160 0.000 2.285 197 K HA 0.180 4.501 4.320 0.001 0.000 0.286 197 K C -0.716 176.002 176.600 0.195 0.000 1.072 197 K CA -0.428 55.952 56.287 0.155 0.000 0.913 197 K CB 0.669 33.270 32.500 0.169 0.000 1.067 197 K HN 0.410 nan 8.250 nan 0.000 0.479 198 V N 5.678 125.643 119.914 0.085 0.000 2.656 198 V HA 0.552 4.673 4.120 0.001 0.000 0.307 198 V C -1.354 174.636 176.094 -0.174 0.000 1.051 198 V CA -0.838 61.436 62.300 -0.043 0.000 0.893 198 V CB 1.328 33.031 31.823 -0.199 0.000 0.999 198 V HN 0.689 nan 8.190 nan 0.000 0.426 199 L N 6.105 127.165 121.223 -0.271 0.000 2.331 199 L HA 0.618 4.959 4.340 0.001 0.000 0.275 199 L C -1.241 175.382 176.870 -0.410 0.000 1.022 199 L CA -0.658 54.023 54.840 -0.265 0.000 0.812 199 L CB 1.857 43.735 42.059 -0.302 0.000 1.257 199 L HN 0.656 nan 8.230 nan 0.000 0.435 200 Y N 2.932 123.185 120.300 -0.079 0.000 2.335 200 Y HA 0.591 5.142 4.550 0.001 0.000 0.338 200 Y C -0.323 175.566 175.900 -0.018 0.000 0.977 200 Y CA -0.564 57.504 58.100 -0.054 0.000 1.114 200 Y CB 1.553 39.992 38.460 -0.036 0.000 1.182 200 Y HN 0.274 nan 8.280 nan 0.000 0.463 201 L N 5.076 126.380 121.223 0.134 0.000 2.372 201 L HA 0.505 4.846 4.340 0.001 0.000 0.274 201 L C -1.109 175.891 176.870 0.216 0.000 0.988 201 L CA -0.674 54.282 54.840 0.192 0.000 0.833 201 L CB 1.500 43.695 42.059 0.228 0.000 1.236 201 L HN 0.791 nan 8.230 nan 0.000 0.410 202 N N 0.886 119.723 118.700 0.228 0.000 2.697 202 N HA 0.366 5.107 4.740 0.001 0.000 0.272 202 N C 0.487 176.088 175.510 0.153 0.000 1.381 202 N CA -1.221 51.929 53.050 0.167 0.000 0.797 202 N CB 0.763 39.325 38.487 0.127 0.000 1.523 202 N HN 0.448 nan 8.380 nan 0.000 0.518 203 R N -0.440 120.102 120.500 0.070 0.000 2.211 203 R HA -0.164 4.177 4.340 0.001 0.000 0.240 203 R C 1.259 177.594 176.300 0.058 0.000 1.144 203 R CA 1.349 57.463 56.100 0.023 0.000 0.992 203 R CB -0.114 30.185 30.300 -0.002 0.000 0.869 203 R HN 0.667 nan 8.270 nan 0.000 0.462 204 K N 0.189 120.639 120.400 0.082 0.000 2.056 204 K HA -0.054 4.266 4.320 0.001 0.000 0.205 204 K C 1.656 178.335 176.600 0.132 0.000 1.035 204 K CA 1.592 57.933 56.287 0.091 0.000 0.955 204 K CB -0.310 32.238 32.500 0.080 0.000 0.769 204 K HN 0.100 nan 8.250 nan 0.000 0.447 205 T N 0.881 115.524 114.554 0.148 0.000 3.163 205 T HA -0.028 4.323 4.350 0.001 0.000 0.260 205 T C 1.261 176.062 174.700 0.168 0.000 1.156 205 T CA 0.128 62.312 62.100 0.139 0.000 1.072 205 T CB -0.420 68.521 68.868 0.122 0.000 0.937 205 T HN 0.274 nan 8.240 nan 0.000 0.528 206 F N 2.705 122.690 119.950 0.058 0.000 2.046 206 F HA -0.107 4.421 4.527 0.001 0.000 0.297 206 F C 2.288 178.149 175.800 0.101 0.000 1.123 206 F CA 2.184 60.222 58.000 0.063 0.000 1.199 206 F CB -0.256 38.745 39.000 0.003 0.000 0.972 206 F HN 0.430 nan 8.300 nan 0.000 0.474 207 E N -0.507 119.839 120.200 0.244 0.000 2.338 207 E HA -0.154 4.196 4.350 0.001 0.000 0.197 207 E C 1.764 178.408 176.600 0.073 0.000 1.007 207 E CA 1.338 57.836 56.400 0.164 0.000 0.849 207 E CB -0.491 29.308 29.700 0.165 0.000 0.774 207 E HN 0.477 nan 8.360 nan 0.000 0.506 208 S N 0.276 116.009 115.700 0.054 0.000 2.441 208 S HA 0.050 4.520 4.470 0.001 0.000 0.224 208 S C 1.735 176.330 174.600 -0.008 0.000 1.043 208 S CA 0.144 58.360 58.200 0.027 0.000 0.948 208 S CB 0.163 63.386 63.200 0.038 0.000 0.810 208 S HN 0.116 nan 8.310 nan 0.000 0.504 209 E N 0.210 120.393 120.200 -0.029 0.000 2.415 209 E HA 0.190 4.541 4.350 0.001 0.000 0.197 209 E C 1.332 177.848 176.600 -0.139 0.000 1.007 209 E CA 0.067 56.432 56.400 -0.059 0.000 0.890 209 E CB -0.215 29.476 29.700 -0.015 0.000 0.891 209 E HN 0.744 nan 8.360 nan 0.000 0.496 210 Y N 2.365 122.416 120.300 -0.414 0.000 2.163 210 Y HA -0.085 4.466 4.550 0.002 0.000 0.288 210 Y C -0.756 174.973 175.900 -0.285 0.000 1.136 210 Y CA 1.341 59.100 58.100 -0.569 0.000 1.147 210 Y CB -0.710 37.020 38.460 -1.217 0.000 0.987 210 Y HN 0.042 nan 8.280 nan 0.000 0.509 211 P HA -0.182 nan 4.420 nan 0.000 0.220 211 P C 0.703 177.878 177.300 -0.208 0.000 1.144 211 P CA 1.941 64.856 63.100 -0.308 0.000 0.800 211 P CB -0.098 31.526 31.700 -0.127 0.000 0.772 212 K N -1.330 118.977 120.400 -0.154 0.000 2.362 212 K HA -0.051 4.269 4.320 0.001 0.000 0.200 212 K C 1.703 178.289 176.600 -0.023 0.000 1.046 212 K CA 0.886 57.134 56.287 -0.065 0.000 0.952 212 K CB -0.659 31.814 32.500 -0.047 0.000 0.753 212 K HN 0.230 nan 8.250 nan 0.000 0.466 213 C N 1.001 120.222 119.300 -0.132 0.000 2.432 213 C HA -0.039 4.421 4.460 0.001 0.000 0.282 213 C C 2.432 177.627 174.990 0.343 0.000 1.388 213 C CA 0.628 59.684 59.018 0.063 0.000 1.777 213 C CB -0.493 27.227 27.740 -0.034 0.000 1.882 213 C HN 0.446 nan 8.230 nan 0.000 0.520 214 K N 0.951 121.385 120.400 0.057 0.000 2.216 214 K HA -0.035 4.285 4.320 0.001 0.000 0.207 214 K C 2.236 178.869 176.600 0.054 0.000 1.041 214 K CA 1.090 57.403 56.287 0.042 0.000 0.966 214 K CB -0.124 32.333 32.500 -0.071 0.000 0.955 214 K HN 0.445 nan 8.250 nan 0.000 0.468 215 S N 0.218 115.931 115.700 0.021 0.000 2.474 215 S HA -0.066 4.405 4.470 0.001 0.000 0.235 215 S C 0.623 175.256 174.600 0.055 0.000 0.997 215 S CA 0.533 58.748 58.200 0.025 0.000 0.949 215 S CB -0.032 63.172 63.200 0.006 0.000 0.766 215 S HN 0.255 nan 8.310 nan 0.000 0.517 216 E N 0.248 120.514 120.200 0.110 0.000 2.299 216 E HA 0.486 4.837 4.350 0.001 0.000 0.265 216 E C -1.200 175.519 176.600 0.198 0.000 0.911 216 E CA -0.876 55.609 56.400 0.142 0.000 0.789 216 E CB 1.378 31.168 29.700 0.151 0.000 1.246 216 E HN 0.116 nan 8.360 nan 0.000 0.427 217 K N 2.737 123.214 120.400 0.128 0.000 2.172 217 K HA 0.332 4.653 4.320 0.001 0.000 0.276 217 K C -0.958 175.749 176.600 0.179 0.000 1.013 217 K CA -0.460 55.856 56.287 0.048 0.000 0.913 217 K CB 0.741 33.238 32.500 -0.004 0.000 1.055 217 K HN 0.389 nan 8.250 nan 0.000 0.461 218 W N 2.062 123.376 121.300 0.023 0.000 3.042 218 W HA 0.350 5.011 4.660 0.000 0.000 0.342 218 W C -0.697 175.848 176.519 0.044 0.000 1.240 218 W CA -0.695 56.671 57.345 0.035 0.000 1.166 218 W CB 0.329 29.805 29.460 0.028 0.000 1.469 218 W HN 0.459 nan 8.180 nan 0.000 0.579 219 D N 0.015 120.659 120.400 0.408 0.000 2.514 219 D HA 0.173 4.814 4.640 0.001 0.000 0.249 219 D C -0.448 176.068 176.300 0.360 0.000 1.036 219 D CA 0.951 55.130 54.000 0.298 0.000 0.911 219 D CB 0.941 41.976 40.800 0.392 0.000 1.145 219 D HN -0.007 nan 8.370 nan 0.000 0.495 220 F N 0.559 120.771 119.950 0.437 0.000 2.578 220 F HA 0.373 4.901 4.527 0.002 0.000 0.311 220 F C -0.350 175.447 175.800 -0.005 0.000 1.094 220 F CA -0.969 57.196 58.000 0.275 0.000 0.923 220 F CB 2.382 41.461 39.000 0.131 0.000 1.230 220 F HN -0.431 nan 8.300 nan 0.000 0.450 221 V N 5.092 124.956 119.914 -0.085 0.000 2.384 221 V HA 0.401 4.522 4.120 0.001 0.000 0.287 221 V C -0.336 175.618 176.094 -0.234 0.000 1.020 221 V CA -0.657 61.397 62.300 -0.411 0.000 0.850 221 V CB 1.443 32.771 31.823 -0.825 0.000 0.987 221 V HN 0.406 nan 8.190 nan 0.000 0.436 222 I N 5.186 125.588 120.570 -0.280 0.000 2.304 222 I HA 0.463 4.634 4.170 0.001 0.000 0.291 222 I C 0.369 176.384 176.117 -0.170 0.000 1.018 222 I CA 0.195 61.356 61.300 -0.232 0.000 1.260 222 I CB 1.223 39.017 38.000 -0.343 0.000 1.390 222 I HN 0.619 nan 8.210 nan 0.000 0.475 223 T N 2.511 116.960 114.554 -0.175 0.000 2.900 223 T HA 0.534 4.885 4.350 0.001 0.000 0.295 223 T C 0.365 175.075 174.700 0.017 0.000 1.044 223 T CA -0.820 61.215 62.100 -0.108 0.000 0.995 223 T CB 2.053 70.750 68.868 -0.285 0.000 1.072 223 T HN 0.635 nan 8.240 nan 0.000 0.473 224 T N -1.411 113.212 114.554 0.115 0.000 2.770 224 T HA 0.235 4.586 4.350 0.001 0.000 0.281 224 T C 0.926 175.805 174.700 0.298 0.000 0.981 224 T CA -0.339 61.875 62.100 0.189 0.000 0.955 224 T CB 0.192 69.143 68.868 0.138 0.000 1.060 224 T HN 0.658 nan 8.240 nan 0.000 0.531 225 D N -0.645 119.928 120.400 0.288 0.000 2.403 225 D HA -0.094 4.546 4.640 0.001 0.000 0.227 225 D C 1.518 177.929 176.300 0.185 0.000 0.995 225 D CA 0.135 54.305 54.000 0.283 0.000 0.928 225 D CB -0.695 40.213 40.800 0.180 0.000 0.887 225 D HN 0.573 nan 8.370 nan 0.000 0.529 226 I N -0.133 120.510 120.570 0.121 0.000 2.567 226 I HA -0.194 3.977 4.170 0.001 0.000 0.257 226 I C 0.871 176.940 176.117 -0.082 0.000 1.184 226 I CA 0.766 62.038 61.300 -0.047 0.000 1.451 226 I CB 0.063 37.994 38.000 -0.116 0.000 1.089 226 I HN -0.067 nan 8.210 nan 0.000 0.441 227 S N 0.281 116.097 115.700 0.193 0.000 2.634 227 S HA 0.054 4.525 4.470 0.001 0.000 0.221 227 S C 1.388 176.223 174.600 0.392 0.000 0.952 227 S CA -0.111 58.282 58.200 0.321 0.000 0.930 227 S CB -0.029 63.462 63.200 0.486 0.000 0.780 227 S HN 0.448 nan 8.310 nan 0.000 0.498 228 E N 1.000 121.342 120.200 0.237 0.000 2.230 228 E HA 0.023 4.374 4.350 0.001 0.000 0.192 228 E C 1.715 178.349 176.600 0.057 0.000 0.987 228 E CA 0.805 57.285 56.400 0.135 0.000 0.841 228 E CB 0.075 29.804 29.700 0.048 0.000 0.783 228 E HN 0.600 nan 8.360 nan 0.000 0.481 229 M N -1.880 117.701 119.600 -0.032 0.000 2.691 229 M HA 0.213 4.693 4.480 0.001 0.000 0.261 229 M C 1.833 178.091 176.300 -0.070 0.000 1.227 229 M CA 0.803 56.062 55.300 -0.068 0.000 1.197 229 M CB 0.349 32.816 32.600 -0.221 0.000 1.294 229 M HN -0.048 nan 8.290 nan 0.000 0.508 230 G N 0.921 109.643 108.800 -0.129 0.000 3.690 230 G HA2 0.628 4.589 3.960 0.001 0.000 0.283 230 G HA3 0.628 4.589 3.960 0.001 0.000 0.283 230 G C -0.260 174.504 174.900 -0.227 0.000 1.057 230 G CA 0.017 44.983 45.100 -0.224 0.000 0.821 230 G HN 0.451 nan 8.290 nan 0.000 0.526 231 A N 0.562 123.281 122.820 -0.169 0.000 2.442 231 A HA 0.611 4.932 4.320 0.001 0.000 0.284 231 A C -1.179 176.230 177.584 -0.292 0.000 1.058 231 A CA -0.758 51.057 52.037 -0.369 0.000 0.738 231 A CB 0.903 19.565 19.000 -0.564 0.000 1.242 231 A HN 0.047 nan 8.150 nan 0.000 0.421 232 N N 1.673 120.306 118.700 -0.113 0.000 2.406 232 N HA 0.590 5.331 4.740 0.001 0.000 0.251 232 N C -1.073 174.377 175.510 -0.100 0.000 1.069 232 N CA 0.387 53.417 53.050 -0.034 0.000 0.947 232 N CB 0.078 38.600 38.487 0.059 0.000 1.111 232 N HN 0.508 nan 8.380 nan 0.000 0.497 233 F N 0.442 120.558 119.950 0.277 0.000 2.432 233 F HA 0.368 4.896 4.527 0.002 0.000 0.329 233 F C 1.070 177.010 175.800 0.234 0.000 1.076 233 F CA -1.191 56.989 58.000 0.301 0.000 1.018 233 F CB 1.323 40.536 39.000 0.356 0.000 1.201 233 F HN 0.253 nan 8.300 nan 0.000 0.489 234 K N 0.974 121.618 120.400 0.406 0.000 2.403 234 K HA 0.747 5.068 4.320 0.001 0.000 0.235 234 K C -0.808 175.906 176.600 0.190 0.000 1.142 234 K CA -0.362 56.064 56.287 0.232 0.000 1.114 234 K CB 0.621 33.194 32.500 0.121 0.000 1.777 234 K HN 0.594 nan 8.250 nan 0.000 0.424 235 A N 1.259 124.240 122.820 0.270 0.000 2.281 235 A HA 0.353 4.674 4.320 0.001 0.000 0.329 235 A C -0.077 177.595 177.584 0.147 0.000 1.122 235 A CA -0.807 51.349 52.037 0.200 0.000 0.850 235 A CB 0.661 19.838 19.000 0.295 0.000 1.207 235 A HN 0.625 nan 8.150 nan 0.000 0.495 236 D N -0.754 119.731 120.400 0.141 0.000 2.423 236 D HA 0.125 4.766 4.640 0.001 0.000 0.212 236 D C 0.482 176.923 176.300 0.235 0.000 1.060 236 D CA 0.619 54.735 54.000 0.193 0.000 0.872 236 D CB 0.607 41.534 40.800 0.211 0.000 1.012 236 D HN 0.507 nan 8.370 nan 0.000 0.503 237 R N 0.553 121.152 120.500 0.167 0.000 2.698 237 R HA 0.479 4.820 4.340 0.001 0.000 0.275 237 R C -1.886 174.452 176.300 0.063 0.000 1.001 237 R CA -0.488 55.642 56.100 0.050 0.000 0.896 237 R CB 2.403 32.543 30.300 -0.267 0.000 1.218 237 R HN -0.260 nan 8.270 nan 0.000 0.462 238 V N 5.207 125.197 119.914 0.128 0.000 2.555 238 V HA 0.492 4.613 4.120 0.001 0.000 0.302 238 V C -0.127 176.006 176.094 0.065 0.000 1.038 238 V CA -0.677 61.740 62.300 0.194 0.000 0.887 238 V CB 1.871 33.948 31.823 0.422 0.000 0.991 238 V HN 0.623 nan 8.190 nan 0.000 0.434 239 I N 3.891 124.458 120.570 -0.005 0.000 2.354 239 I HA 0.472 4.643 4.170 0.001 0.000 0.292 239 I C -0.955 175.133 176.117 -0.049 0.000 0.989 239 I CA -0.164 61.003 61.300 -0.222 0.000 1.188 239 I CB 1.674 39.238 38.000 -0.726 0.000 1.342 239 I HN 0.565 nan 8.210 nan 0.000 0.457 240 D N 8.864 129.225 120.400 -0.066 0.000 2.386 240 D HA 0.280 4.920 4.640 0.001 0.000 0.247 240 D C -2.137 174.207 176.300 0.073 0.000 1.336 240 D CA -1.813 52.249 54.000 0.104 0.000 0.976 240 D CB 2.183 43.089 40.800 0.177 0.000 1.257 240 D HN 0.128 nan 8.370 nan 0.000 0.570 241 P HA 0.047 nan 4.420 nan 0.000 0.245 241 P C -0.186 177.208 177.300 0.157 0.000 1.212 241 P CA 0.087 63.271 63.100 0.140 0.000 0.774 241 P CB 0.109 31.923 31.700 0.190 0.000 0.999 242 R N -1.333 119.262 120.500 0.159 0.000 3.525 242 R HA -0.119 4.222 4.340 0.001 0.000 0.276 242 R C -0.181 176.198 176.300 0.131 0.000 1.116 242 R CA 0.672 56.850 56.100 0.129 0.000 0.745 242 R CB -1.433 28.941 30.300 0.123 0.000 1.185 242 R HN 0.235 nan 8.270 nan 0.000 0.454 243 K N 0.106 120.611 120.400 0.175 0.000 2.259 243 K HA 0.573 4.893 4.320 0.001 0.000 0.249 243 K C 0.132 176.849 176.600 0.196 0.000 0.942 243 K CA -0.513 55.887 56.287 0.189 0.000 0.816 243 K CB 2.272 34.947 32.500 0.291 0.000 1.155 243 K HN 0.048 nan 8.250 nan 0.000 0.428 244 T N 0.960 115.583 114.554 0.114 0.000 2.841 244 T HA 0.688 5.038 4.350 0.001 0.000 0.296 244 T C -1.175 173.505 174.700 -0.033 0.000 1.166 244 T CA -0.655 61.496 62.100 0.085 0.000 1.007 244 T CB 0.924 69.832 68.868 0.067 0.000 1.253 244 T HN 0.391 nan 8.240 nan 0.000 0.511 245 I N 3.446 123.984 120.570 -0.052 0.000 2.382 245 I HA 0.452 4.623 4.170 0.001 0.000 0.286 245 I C -0.215 175.830 176.117 -0.119 0.000 1.002 245 I CA -0.783 60.447 61.300 -0.117 0.000 1.135 245 I CB 1.537 39.459 38.000 -0.131 0.000 1.288 245 I HN 0.514 nan 8.210 nan 0.000 0.448 246 K N 7.056 127.347 120.400 -0.181 0.000 2.316 246 K HA 0.696 5.016 4.320 0.001 0.000 0.251 246 K C -3.029 173.372 176.600 -0.331 0.000 0.934 246 K CA -1.973 54.124 56.287 -0.317 0.000 0.802 246 K CB 2.278 34.499 32.500 -0.465 0.000 1.171 246 K HN 0.066 nan 8.250 nan 0.000 0.426 247 P HA 0.185 nan 4.420 nan 0.000 0.287 247 P C -0.732 176.415 177.300 -0.255 0.000 1.294 247 P CA -0.433 62.517 63.100 -0.251 0.000 0.776 247 P CB 0.606 32.210 31.700 -0.161 0.000 0.889 248 I N 4.583 125.025 120.570 -0.214 0.000 2.433 248 I HA 0.313 4.483 4.170 0.001 0.000 0.292 248 I C -0.527 175.469 176.117 -0.202 0.000 1.001 248 I CA -1.304 59.898 61.300 -0.163 0.000 1.119 248 I CB 1.770 39.694 38.000 -0.126 0.000 1.289 248 I HN 0.253 nan 8.210 nan 0.000 0.438 249 L N 8.881 129.998 121.223 -0.177 0.000 2.290 249 L HA 0.469 4.810 4.340 0.001 0.000 0.284 249 L C -1.051 175.746 176.870 -0.121 0.000 1.078 249 L CA -0.455 54.245 54.840 -0.233 0.000 0.815 249 L CB 0.768 42.716 42.059 -0.185 0.000 1.162 249 L HN 0.574 nan 8.230 nan 0.000 0.435 250 L N 2.586 123.736 121.223 -0.121 0.000 2.666 250 L HA 0.430 4.771 4.340 0.001 0.000 0.259 250 L C -1.020 175.841 176.870 -0.015 0.000 0.919 250 L CA -0.776 54.037 54.840 -0.044 0.000 0.927 250 L CB 1.847 43.882 42.059 -0.041 0.000 1.423 250 L HN 0.493 nan 8.230 nan 0.000 0.426 251 D N 3.000 123.421 120.400 0.034 0.000 2.870 251 D HA -0.147 4.493 4.640 0.001 0.000 0.228 251 D C 1.093 177.462 176.300 0.116 0.000 1.147 251 D CA 2.154 56.194 54.000 0.067 0.000 0.757 251 D CB -0.930 39.900 40.800 0.049 0.000 1.091 251 D HN 1.613 nan 8.370 nan 0.000 0.429 252 G N 0.242 109.136 108.800 0.157 0.000 2.198 252 G HA2 -0.333 3.628 3.960 0.001 0.000 0.260 252 G HA3 -0.333 3.628 3.960 0.001 0.000 0.260 252 G C 0.220 175.335 174.900 0.358 0.000 1.025 252 G CA 0.933 46.217 45.100 0.306 0.000 0.769 252 G HN 0.868 nan 8.290 nan 0.000 0.507 253 R N -2.305 118.225 120.500 0.049 0.000 2.710 253 R HA 0.690 5.030 4.340 0.001 0.000 0.270 253 R C -1.254 174.731 176.300 -0.525 0.000 1.021 253 R CA -1.087 54.899 56.100 -0.190 0.000 0.889 253 R CB 1.383 31.654 30.300 -0.047 0.000 1.243 253 R HN 0.268 nan 8.270 nan 0.000 0.464 254 V N 1.735 121.216 119.914 -0.722 0.000 2.370 254 V HA 0.362 4.483 4.120 0.001 0.000 0.279 254 V C -0.261 175.643 176.094 -0.316 0.000 1.029 254 V CA -0.394 61.554 62.300 -0.587 0.000 0.870 254 V CB 1.489 32.899 31.823 -0.688 0.000 0.984 254 V HN 0.779 nan 8.190 nan 0.000 0.451 255 S N 5.781 121.335 115.700 -0.243 0.000 2.475 255 S HA 0.587 5.057 4.470 0.001 0.000 0.298 255 S C -0.124 174.379 174.600 -0.161 0.000 1.119 255 S CA -0.691 57.408 58.200 -0.168 0.000 1.085 255 S CB 1.133 64.255 63.200 -0.129 0.000 1.028 255 S HN 0.568 nan 8.310 nan 0.000 0.489 256 M N 3.956 123.474 119.600 -0.136 0.000 2.184 256 M HA 0.305 4.786 4.480 0.001 0.000 0.351 256 M C -0.185 176.045 176.300 -0.117 0.000 1.395 256 M CA 0.062 55.285 55.300 -0.129 0.000 1.117 256 M CB 0.231 32.767 32.600 -0.106 0.000 1.708 256 M HN 0.483 nan 8.290 nan 0.000 0.468 257 Q N 1.835 121.557 119.800 -0.129 0.000 2.353 257 Q HA 0.865 5.206 4.340 0.001 0.000 0.268 257 Q C 0.112 176.041 176.000 -0.118 0.000 1.045 257 Q CA -0.420 55.317 55.803 -0.110 0.000 0.811 257 Q CB 2.675 31.353 28.738 -0.100 0.000 1.305 257 Q HN 0.989 nan 8.270 nan 0.000 0.447 258 G N 2.038 110.771 108.800 -0.111 0.000 2.356 258 G HA2 0.236 4.196 3.960 0.001 0.000 0.300 258 G HA3 0.236 4.196 3.960 0.001 0.000 0.300 258 G C -2.958 171.848 174.900 -0.157 0.000 1.331 258 G CA -0.985 44.034 45.100 -0.135 0.000 0.905 258 G HN 0.416 nan 8.290 nan 0.000 0.587 259 P HA 0.558 nan 4.420 nan 0.000 0.271 259 P C -0.117 177.148 177.300 -0.059 0.000 1.220 259 P CA -0.102 62.889 63.100 -0.182 0.000 0.768 259 P CB 0.592 32.229 31.700 -0.104 0.000 0.848 260 I N -1.307 119.239 120.570 -0.040 0.000 3.042 260 I HA 0.806 4.977 4.170 0.001 0.000 0.310 260 I C -0.341 175.792 176.117 0.027 0.000 1.117 260 I CA -1.896 59.401 61.300 -0.005 0.000 1.003 260 I CB 2.022 40.009 38.000 -0.022 0.000 1.228 260 I HN 0.233 nan 8.210 nan 0.000 0.443 261 A N 4.241 127.083 122.820 0.038 0.000 2.540 261 A HA 0.395 4.716 4.320 0.001 0.000 0.239 261 A C 0.337 177.950 177.584 0.049 0.000 1.061 261 A CA -0.250 51.818 52.037 0.052 0.000 0.758 261 A CB -0.325 18.705 19.000 0.050 0.000 0.991 261 A HN 0.787 nan 8.150 nan 0.000 0.502 262 I N 0.471 121.073 120.570 0.054 0.000 3.211 262 I HA 0.496 4.667 4.170 0.001 0.000 0.297 262 I C 0.802 176.942 176.117 0.038 0.000 1.095 262 I CA -0.315 61.013 61.300 0.047 0.000 1.239 262 I CB 0.432 38.454 38.000 0.037 0.000 1.455 262 I HN 0.677 nan 8.210 nan 0.000 0.630 263 T N -0.394 114.186 114.554 0.043 0.000 2.868 263 T HA 0.312 4.663 4.350 0.001 0.000 0.292 263 T C -1.830 172.858 174.700 -0.019 0.000 1.028 263 T CA -1.407 60.716 62.100 0.037 0.000 1.059 263 T CB 0.933 69.848 68.868 0.077 0.000 0.991 263 T HN 0.491 nan 8.240 nan 0.000 0.531 264 P HA -0.082 nan 4.420 nan 0.000 0.217 264 P C 1.617 178.838 177.300 -0.132 0.000 1.148 264 P CA 1.446 64.486 63.100 -0.100 0.000 0.828 264 P CB -0.257 31.401 31.700 -0.071 0.000 0.783 265 A N -0.812 121.960 122.820 -0.080 0.000 1.902 265 A HA -0.166 4.155 4.320 0.001 0.000 0.217 265 A C 2.357 179.846 177.584 -0.158 0.000 1.181 265 A CA 2.153 54.118 52.037 -0.120 0.000 0.623 265 A CB -1.459 17.518 19.000 -0.040 0.000 0.818 265 A HN 0.128 nan 8.150 nan 0.000 0.443 266 S N -0.071 115.578 115.700 -0.085 0.000 2.355 266 S HA -0.011 4.459 4.470 0.001 0.000 0.222 266 S C 2.360 176.847 174.600 -0.189 0.000 1.031 266 S CA 1.135 59.276 58.200 -0.097 0.000 0.993 266 S CB -0.558 62.626 63.200 -0.028 0.000 0.859 266 S HN 0.804 nan 8.310 nan 0.000 0.453 267 A N 1.970 124.679 122.820 -0.185 0.000 1.873 267 A HA -0.072 4.249 4.320 0.001 0.000 0.218 267 A C 2.401 179.759 177.584 -0.378 0.000 1.193 267 A CA 2.044 53.934 52.037 -0.245 0.000 0.629 267 A CB -1.345 17.502 19.000 -0.254 0.000 0.826 267 A HN 0.545 nan 8.150 nan 0.000 0.447 268 A N -1.406 121.191 122.820 -0.372 0.000 1.948 268 A HA -0.227 4.094 4.320 0.001 0.000 0.220 268 A C 2.126 179.537 177.584 -0.288 0.000 1.177 268 A CA 1.876 53.695 52.037 -0.363 0.000 0.636 268 A CB -0.464 18.369 19.000 -0.278 0.000 0.815 268 A HN 0.556 nan 8.150 nan 0.000 0.449 269 Q N -0.466 119.182 119.800 -0.254 0.000 2.083 269 Q HA -0.075 4.266 4.340 0.001 0.000 0.198 269 Q C 2.262 178.158 176.000 -0.173 0.000 0.969 269 Q CA 1.291 56.984 55.803 -0.184 0.000 0.838 269 Q CB -0.376 28.267 28.738 -0.159 0.000 0.900 269 Q HN 0.726 nan 8.270 nan 0.000 0.436 270 R N 0.461 120.767 120.500 -0.324 0.000 2.070 270 R HA -0.100 4.241 4.340 0.001 0.000 0.233 270 R C 2.417 178.655 176.300 -0.103 0.000 1.137 270 R CA 1.448 57.276 56.100 -0.453 0.000 0.945 270 R CB -0.344 29.521 30.300 -0.724 0.000 0.845 270 R HN 0.138 nan 8.270 nan 0.000 0.430 271 R N 0.534 120.849 120.500 -0.308 0.000 2.105 271 R HA -0.110 4.230 4.340 0.001 0.000 0.239 271 R C 2.115 178.319 176.300 -0.160 0.000 1.135 271 R CA 1.699 57.507 56.100 -0.486 0.000 0.967 271 R CB -0.491 29.135 30.300 -1.124 0.000 0.861 271 R HN 0.339 nan 8.270 nan 0.000 0.442 272 G N 0.248 108.975 108.800 -0.122 0.000 2.625 272 G HA2 -0.179 3.782 3.960 0.001 0.000 0.214 272 G HA3 -0.179 3.782 3.960 0.001 0.000 0.214 272 G C 1.052 176.011 174.900 0.097 0.000 1.132 272 G CA -0.094 44.996 45.100 -0.017 0.000 0.782 272 G HN 0.195 nan 8.290 nan 0.000 0.538 273 R N -0.092 120.516 120.500 0.180 0.000 2.237 273 R HA 0.045 4.386 4.340 0.001 0.000 0.219 273 R C 0.938 177.402 176.300 0.274 0.000 1.080 273 R CA 0.474 56.763 56.100 0.315 0.000 0.995 273 R CB -0.621 29.968 30.300 0.483 0.000 0.875 273 R HN 0.612 nan 8.270 nan 0.000 0.462 274 I N -5.331 115.356 120.570 0.195 0.000 3.445 274 I HA 0.635 4.806 4.170 0.001 0.000 0.303 274 I C 0.971 177.158 176.117 0.116 0.000 1.129 274 I CA -0.890 60.513 61.300 0.171 0.000 0.989 274 I CB 0.758 38.868 38.000 0.183 0.000 1.314 274 I HN 0.045 nan 8.210 nan 0.000 0.488 275 G N 1.177 110.040 108.800 0.105 0.000 2.249 275 G HA2 -0.300 3.661 3.960 0.001 0.000 0.273 275 G HA3 -0.300 3.661 3.960 0.001 0.000 0.273 275 G C 0.642 175.584 174.900 0.070 0.000 1.036 275 G CA 0.853 45.996 45.100 0.073 0.000 0.824 275 G HN 0.996 nan 8.290 nan 0.000 0.504 276 R N -1.216 119.339 120.500 0.092 0.000 2.397 276 R HA 0.244 4.584 4.340 0.001 0.000 0.241 276 R C 0.493 176.843 176.300 0.083 0.000 0.914 276 R CA -0.018 56.139 56.100 0.096 0.000 1.071 276 R CB 0.314 30.682 30.300 0.113 0.000 1.116 276 R HN 0.222 nan 8.270 nan 0.000 0.524 277 N N 1.762 120.506 118.700 0.072 0.000 2.469 277 N HA 0.240 4.980 4.740 0.001 0.000 0.253 277 N C -2.065 173.473 175.510 0.047 0.000 0.970 277 N CA -2.795 50.289 53.050 0.058 0.000 0.940 277 N CB 1.850 40.369 38.487 0.054 0.000 1.128 277 N HN -0.231 nan 8.380 nan 0.000 0.503 278 P HA -0.119 nan 4.420 nan 0.000 0.218 278 P C -0.074 177.242 177.300 0.026 0.000 1.146 278 P CA 1.411 64.531 63.100 0.034 0.000 0.813 278 P CB 0.328 32.048 31.700 0.034 0.000 0.778 279 E N -1.304 118.911 120.200 0.025 0.000 2.474 279 E HA 0.061 4.412 4.350 0.001 0.000 0.195 279 E C 0.626 177.237 176.600 0.019 0.000 1.039 279 E CA -0.020 56.392 56.400 0.019 0.000 0.881 279 E CB 0.169 29.879 29.700 0.016 0.000 0.970 279 E HN 0.194 nan 8.360 nan 0.000 0.486 280 K N 1.558 121.973 120.400 0.025 0.000 2.483 280 K HA 0.261 4.582 4.320 0.001 0.000 0.256 280 K C 0.319 176.938 176.600 0.033 0.000 0.961 280 K CA -0.229 56.074 56.287 0.026 0.000 0.873 280 K CB 0.982 33.500 32.500 0.031 0.000 1.107 280 K HN -0.023 nan 8.250 nan 0.000 0.432 281 L N 2.564 123.804 121.223 0.028 0.000 2.298 281 L HA 0.146 4.487 4.340 0.001 0.000 0.209 281 L C 1.702 178.599 176.870 0.044 0.000 1.084 281 L CA 0.744 55.603 54.840 0.031 0.000 0.816 281 L CB 0.243 42.315 42.059 0.022 0.000 0.967 281 L HN 0.883 nan 8.230 nan 0.000 0.460 282 G N -0.568 108.261 108.800 0.048 0.000 3.210 282 G HA2 -0.054 3.907 3.960 0.001 0.000 0.220 282 G HA3 -0.054 3.907 3.960 0.001 0.000 0.220 282 G C -0.143 174.821 174.900 0.107 0.000 1.200 282 G CA -0.298 44.843 45.100 0.069 0.000 0.834 282 G HN 0.165 nan 8.290 nan 0.000 0.524 283 D N 0.453 120.916 120.400 0.105 0.000 2.455 283 D HA 0.238 4.879 4.640 0.001 0.000 0.241 283 D C 0.296 176.682 176.300 0.142 0.000 1.138 283 D CA 0.521 54.602 54.000 0.135 0.000 0.877 283 D CB 1.521 42.394 40.800 0.122 0.000 1.187 283 D HN 0.094 nan 8.370 nan 0.000 0.451 284 I N 2.045 122.711 120.570 0.160 0.000 2.474 284 I HA 0.172 4.343 4.170 0.001 0.000 0.294 284 I C -0.941 175.290 176.117 0.190 0.000 1.005 284 I CA -1.118 60.266 61.300 0.140 0.000 1.113 284 I CB 1.600 39.648 38.000 0.079 0.000 1.289 284 I HN 0.252 nan 8.210 nan 0.000 0.436 285 Y N 6.536 126.884 120.300 0.080 0.000 2.491 285 Y HA 0.661 5.212 4.550 0.001 0.000 0.334 285 Y C -0.159 175.833 175.900 0.152 0.000 0.969 285 Y CA -1.075 57.094 58.100 0.115 0.000 1.241 285 Y CB 0.936 39.479 38.460 0.139 0.000 1.105 285 Y HN 0.557 nan 8.280 nan 0.000 0.503 286 A N 7.766 130.433 122.820 -0.255 0.000 2.252 286 A HA 0.559 4.879 4.320 0.001 0.000 0.309 286 A C -1.463 175.862 177.584 -0.433 0.000 1.285 286 A CA -0.338 51.489 52.037 -0.350 0.000 0.900 286 A CB -0.525 18.293 19.000 -0.304 0.000 1.157 286 A HN 0.844 nan 8.150 nan 0.000 0.536 287 Y N 0.763 120.735 120.300 -0.547 0.000 2.609 287 Y HA 0.823 5.374 4.550 0.001 0.000 0.342 287 Y C -0.159 175.619 175.900 -0.204 0.000 1.058 287 Y CA -0.595 57.242 58.100 -0.439 0.000 1.055 287 Y CB 1.365 39.480 38.460 -0.575 0.000 1.292 287 Y HN 0.753 nan 8.280 nan 0.000 0.476 288 S N 0.426 116.101 115.700 -0.042 0.000 2.607 288 S HA 0.913 5.384 4.470 0.001 0.000 0.273 288 S C -0.174 174.504 174.600 0.131 0.000 1.148 288 S CA -0.480 57.690 58.200 -0.050 0.000 0.833 288 S CB 1.128 64.291 63.200 -0.062 0.000 1.130 288 S HN 2.483 nan 8.310 nan 0.000 0.470 289 G N 1.282 110.145 108.800 0.105 0.000 2.795 289 G HA2 -0.067 3.893 3.960 0.001 0.000 0.664 289 G HA3 -0.067 3.893 3.960 0.001 0.000 0.664 289 G C -0.971 174.028 174.900 0.165 0.000 1.381 289 G CA -0.480 44.693 45.100 0.121 0.000 0.853 289 G HN 0.899 nan 8.290 nan 0.000 0.545 290 N N -1.416 117.356 118.700 0.120 0.000 2.502 290 N HA 0.706 5.447 4.740 0.001 0.000 0.280 290 N C 0.535 176.093 175.510 0.080 0.000 1.223 290 N CA 0.259 53.377 53.050 0.113 0.000 0.966 290 N CB 1.729 40.268 38.487 0.088 0.000 1.203 290 N HN 1.264 nan 8.380 nan 0.000 0.565 291 V N -1.565 118.382 119.914 0.055 0.000 2.713 291 V HA 0.751 4.872 4.120 0.001 0.000 0.307 291 V C 0.130 176.243 176.094 0.032 0.000 1.052 291 V CA -0.648 61.667 62.300 0.025 0.000 0.967 291 V CB 1.364 33.174 31.823 -0.023 0.000 1.019 291 V HN 0.579 nan 8.190 nan 0.000 0.459 292 S N 1.206 116.926 115.700 0.034 0.000 2.540 292 S HA 0.559 5.030 4.470 0.001 0.000 0.275 292 S C 0.354 174.984 174.600 0.050 0.000 1.123 292 S CA -0.079 58.145 58.200 0.040 0.000 0.907 292 S CB 2.263 65.489 63.200 0.043 0.000 1.081 292 S HN 0.866 nan 8.310 nan 0.000 0.476 293 S N 1.821 117.548 115.700 0.046 0.000 2.524 293 S HA 0.140 4.611 4.470 0.001 0.000 0.215 293 S C 0.253 174.890 174.600 0.061 0.000 0.986 293 S CA -0.171 58.063 58.200 0.056 0.000 0.911 293 S CB -0.029 63.190 63.200 0.031 0.000 0.805 293 S HN 0.791 nan 8.310 nan 0.000 0.501 294 D N 3.749 124.181 120.400 0.053 0.000 2.662 294 D HA 0.014 4.655 4.640 0.001 0.000 0.228 294 D C 0.228 176.582 176.300 0.090 0.000 1.093 294 D CA -0.045 53.986 54.000 0.050 0.000 1.075 294 D CB -0.667 40.154 40.800 0.034 0.000 1.122 294 D HN 0.341 nan 8.370 nan 0.000 0.475 295 N N 0.463 119.252 118.700 0.149 0.000 2.389 295 N HA 0.033 4.774 4.740 0.001 0.000 0.260 295 N C 0.649 176.381 175.510 0.370 0.000 1.191 295 N CA -0.287 52.926 53.050 0.272 0.000 0.885 295 N CB 0.363 39.077 38.487 0.379 0.000 1.162 295 N HN 0.015 nan 8.380 nan 0.000 0.512 296 E N 0.201 120.500 120.200 0.165 0.000 2.204 296 E HA 0.027 4.378 4.350 0.001 0.000 0.194 296 E C 1.850 178.570 176.600 0.200 0.000 0.989 296 E CA 1.243 57.701 56.400 0.098 0.000 0.824 296 E CB -0.448 29.244 29.700 -0.015 0.000 0.756 296 E HN 0.612 nan 8.360 nan 0.000 0.477 297 G N -0.143 108.758 108.800 0.168 0.000 2.650 297 G HA2 -0.180 3.781 3.960 0.001 0.000 0.214 297 G HA3 -0.180 3.781 3.960 0.001 0.000 0.214 297 G C 0.415 175.409 174.900 0.157 0.000 1.136 297 G CA -0.112 45.062 45.100 0.124 0.000 0.789 297 G HN 0.231 nan 8.290 nan 0.000 0.536 298 H N 1.527 120.669 119.070 0.120 0.000 3.070 298 H HA 0.058 4.615 4.556 0.001 0.000 0.313 298 H C 1.919 177.225 175.328 -0.037 0.000 0.997 298 H CA 0.148 56.203 56.048 0.012 0.000 1.438 298 H CB 1.366 31.120 29.762 -0.013 0.000 1.455 298 H HN 0.029 nan 8.280 nan 0.000 0.575 299 V N 2.472 122.521 119.914 0.225 0.000 2.546 299 V HA -0.228 3.893 4.120 0.001 0.000 0.254 299 V C 2.276 178.301 176.094 -0.115 0.000 1.076 299 V CA 1.834 64.141 62.300 0.011 0.000 1.087 299 V CB -0.846 30.917 31.823 -0.100 0.000 0.674 299 V HN 0.589 nan 8.190 nan 0.000 0.470 300 S N 0.251 115.731 115.700 -0.367 0.000 2.381 300 S HA -0.267 4.204 4.470 0.001 0.000 0.230 300 S C 1.450 175.716 174.600 -0.557 0.000 1.052 300 S CA 2.540 60.307 58.200 -0.721 0.000 1.068 300 S CB -0.609 61.703 63.200 -1.481 0.000 0.918 300 S HN 0.916 nan 8.310 nan 0.000 0.448 301 W N 1.024 122.215 121.300 -0.181 0.000 2.381 301 W HA -0.057 4.603 4.660 0.001 0.000 0.301 301 W C 2.756 179.216 176.519 -0.098 0.000 1.205 301 W CA 0.942 58.219 57.345 -0.112 0.000 1.285 301 W CB -1.098 28.322 29.460 -0.067 0.000 1.133 301 W HN 0.158 nan 8.180 nan 0.000 0.521 302 T N 0.489 115.088 114.554 0.076 0.000 2.746 302 T HA -0.196 4.155 4.350 0.001 0.000 0.267 302 T C 1.363 175.899 174.700 -0.272 0.000 1.039 302 T CA 1.754 63.803 62.100 -0.086 0.000 1.142 302 T CB -0.332 68.488 68.868 -0.081 0.000 0.866 302 T HN 0.242 nan 8.240 nan 0.000 0.444 303 E N 1.186 121.270 120.200 -0.192 0.000 2.077 303 E HA -0.073 4.277 4.350 0.001 0.000 0.193 303 E C 2.602 179.121 176.600 -0.136 0.000 0.989 303 E CA 0.934 57.229 56.400 -0.175 0.000 0.800 303 E CB -0.263 29.366 29.700 -0.119 0.000 0.746 303 E HN 0.470 nan 8.360 nan 0.000 0.452 304 A N 1.740 124.492 122.820 -0.114 0.000 1.917 304 A HA -0.227 4.094 4.320 0.001 0.000 0.219 304 A C 2.084 179.671 177.584 0.005 0.000 1.182 304 A CA 1.356 53.367 52.037 -0.043 0.000 0.633 304 A CB -0.330 18.675 19.000 0.007 0.000 0.819 304 A HN 0.029 nan 8.150 nan 0.000 0.448 305 R N -1.000 119.496 120.500 -0.006 0.000 2.090 305 R HA 0.059 4.400 4.340 0.001 0.000 0.228 305 R C 2.123 178.433 176.300 0.017 0.000 1.110 305 R CA 1.411 57.545 56.100 0.057 0.000 0.973 305 R CB -0.772 29.629 30.300 0.168 0.000 0.869 305 R HN 0.666 nan 8.270 nan 0.000 0.440 306 M N 0.305 119.747 119.600 -0.263 0.000 2.159 306 M HA -0.136 4.345 4.480 0.001 0.000 0.263 306 M C 2.150 178.488 176.300 0.063 0.000 1.063 306 M CA 1.510 56.616 55.300 -0.323 0.000 1.110 306 M CB -0.253 31.990 32.600 -0.595 0.000 1.374 306 M HN 0.034 nan 8.290 nan 0.000 0.411 307 L N -0.848 120.446 121.223 0.119 0.000 2.023 307 L HA -0.181 4.160 4.340 0.001 0.000 0.205 307 L C 2.355 179.302 176.870 0.128 0.000 1.073 307 L CA 0.631 55.576 54.840 0.174 0.000 0.745 307 L CB -0.637 41.462 42.059 0.066 0.000 0.900 307 L HN 0.236 nan 8.230 nan 0.000 0.435 308 L N 0.061 121.341 121.223 0.096 0.000 2.131 308 L HA -0.208 4.133 4.340 0.001 0.000 0.210 308 L C 1.880 178.819 176.870 0.114 0.000 1.092 308 L CA 1.702 56.605 54.840 0.106 0.000 0.759 308 L CB -0.825 41.300 42.059 0.110 0.000 0.903 308 L HN 0.208 nan 8.230 nan 0.000 0.435 309 D N -0.742 119.729 120.400 0.118 0.000 2.309 309 D HA -0.101 4.540 4.640 0.001 0.000 0.212 309 D C 1.212 177.582 176.300 0.117 0.000 0.968 309 D CA 0.766 54.835 54.000 0.114 0.000 0.882 309 D CB -0.065 40.813 40.800 0.130 0.000 0.918 309 D HN 0.372 nan 8.370 nan 0.000 0.503 310 N N -0.124 118.657 118.700 0.135 0.000 2.234 310 N HA 0.061 4.802 4.740 0.001 0.000 0.227 310 N C -0.791 174.795 175.510 0.127 0.000 1.151 310 N CA 0.026 53.161 53.050 0.143 0.000 0.865 310 N CB 2.032 40.640 38.487 0.201 0.000 1.066 310 N HN -0.058 nan 8.380 nan 0.000 0.515 311 V N 1.385 121.368 119.914 0.114 0.000 2.347 311 V HA 0.109 4.230 4.120 0.001 0.000 0.280 311 V C -0.122 176.063 176.094 0.151 0.000 1.021 311 V CA -0.745 61.612 62.300 0.096 0.000 0.847 311 V CB 1.179 33.033 31.823 0.052 0.000 0.990 311 V HN 0.253 nan 8.190 nan 0.000 0.444 312 H N 4.542 123.653 119.070 0.068 0.000 2.722 312 H HA 0.457 5.014 4.556 0.001 0.000 0.328 312 H C -0.257 175.158 175.328 0.145 0.000 1.067 312 H CA -0.065 56.034 56.048 0.085 0.000 1.447 312 H CB 1.393 31.188 29.762 0.055 0.000 1.469 312 H HN 0.548 nan 8.280 nan 0.000 0.544 313 V N 3.650 123.326 119.914 -0.397 0.000 2.334 313 V HA 0.305 4.426 4.120 0.001 0.000 0.281 313 V C 0.077 175.873 176.094 -0.497 0.000 1.016 313 V CA -1.067 61.077 62.300 -0.260 0.000 0.832 313 V CB 1.163 32.917 31.823 -0.115 0.000 0.999 313 V HN 0.926 nan 8.190 nan 0.000 0.439 314 Q N 4.069 123.719 119.800 -0.250 0.000 2.269 314 Q HA 0.355 4.696 4.340 0.001 0.000 0.300 314 Q C 1.410 177.374 176.000 -0.060 0.000 1.070 314 Q CA 1.599 57.363 55.803 -0.065 0.000 0.957 314 Q CB 0.373 29.155 28.738 0.074 0.000 1.131 314 Q HN 1.841 nan 8.270 nan 0.000 0.377 315 G N 2.368 111.154 108.800 -0.022 0.000 2.166 315 G HA2 -0.258 3.703 3.960 0.001 0.000 0.260 315 G HA3 -0.258 3.703 3.960 0.001 0.000 0.260 315 G C 0.186 175.065 174.900 -0.035 0.000 0.986 315 G CA 0.162 45.255 45.100 -0.011 0.000 0.683 315 G HN 0.955 nan 8.290 nan 0.000 0.527 316 G N -2.295 106.459 108.800 -0.076 0.000 3.086 316 G HA2 0.833 4.793 3.960 0.001 0.000 0.282 316 G HA3 0.833 4.793 3.960 0.001 0.000 0.282 316 G C -0.827 174.035 174.900 -0.064 0.000 1.343 316 G CA 0.073 45.131 45.100 -0.070 0.000 0.895 316 G HN 0.914 nan 8.290 nan 0.000 0.557 317 V N -0.778 119.110 119.914 -0.042 0.000 3.158 317 V HA 0.462 4.583 4.120 0.001 0.000 0.315 317 V C 0.381 176.470 176.094 -0.008 0.000 1.148 317 V CA -0.791 61.500 62.300 -0.015 0.000 1.042 317 V CB 1.905 33.730 31.823 0.003 0.000 1.101 317 V HN 0.623 nan 8.190 nan 0.000 0.448 318 V N 2.062 121.989 119.914 0.022 0.000 2.742 318 V HA 0.041 4.162 4.120 0.001 0.000 0.302 318 V C 0.879 176.996 176.094 0.039 0.000 1.133 318 V CA 0.564 62.890 62.300 0.044 0.000 1.284 318 V CB -0.310 31.548 31.823 0.058 0.000 0.850 318 V HN 1.034 nan 8.190 nan 0.000 0.494 319 A N 5.673 128.527 122.820 0.056 0.000 2.440 319 A HA 0.349 4.669 4.320 0.001 0.000 0.251 319 A C 0.312 177.939 177.584 0.071 0.000 1.089 319 A CA -0.286 51.783 52.037 0.054 0.000 0.779 319 A CB 0.099 19.151 19.000 0.086 0.000 1.022 319 A HN 0.895 nan 8.150 nan 0.000 0.492 320 Q N 0.942 120.778 119.800 0.060 0.000 2.317 320 Q HA 0.446 4.787 4.340 0.001 0.000 0.229 320 Q C -0.272 175.788 176.000 0.099 0.000 0.984 320 Q CA -0.506 55.339 55.803 0.069 0.000 0.911 320 Q CB 0.813 29.580 28.738 0.048 0.000 1.217 320 Q HN 0.710 nan 8.270 nan 0.000 0.501 321 L N 0.954 122.241 121.223 0.107 0.000 2.482 321 L HA 0.022 4.363 4.340 0.001 0.000 0.273 321 L C 0.356 177.340 176.870 0.189 0.000 1.228 321 L CA -0.098 54.833 54.840 0.151 0.000 0.827 321 L CB -0.129 42.013 42.059 0.138 0.000 1.099 321 L HN 0.639 nan 8.230 nan 0.000 0.494 322 Y N 1.033 121.396 120.300 0.105 0.000 2.810 322 Y HA -0.217 4.334 4.550 0.002 0.000 0.332 322 Y C 1.647 177.589 175.900 0.070 0.000 1.243 322 Y CA 0.289 58.460 58.100 0.119 0.000 1.537 322 Y CB 0.763 39.344 38.460 0.201 0.000 1.265 322 Y HN 0.701 nan 8.280 nan 0.000 0.572 323 T N 6.352 120.784 114.554 -0.203 0.000 2.564 323 T HA -0.199 4.151 4.350 0.001 0.000 0.264 323 T C -0.737 173.766 174.700 -0.329 0.000 1.100 323 T CA 2.273 64.215 62.100 -0.264 0.000 1.171 323 T CB -1.239 67.497 68.868 -0.220 0.000 0.863 323 T HN 0.675 nan 8.240 nan 0.000 0.430 324 P HA 0.040 nan 4.420 nan 0.000 0.239 324 P C 0.546 177.701 177.300 -0.241 0.000 1.184 324 P CA 0.986 63.891 63.100 -0.326 0.000 0.760 324 P CB -0.049 31.459 31.700 -0.322 0.000 0.884 325 E N -0.683 119.388 120.200 -0.216 0.000 2.498 325 E HA 0.136 4.487 4.350 0.001 0.000 0.203 325 E C 1.786 178.252 176.600 -0.224 0.000 1.013 325 E CA -0.187 56.092 56.400 -0.201 0.000 0.927 325 E CB 0.102 29.825 29.700 0.038 0.000 1.012 325 E HN 0.198 nan 8.360 nan 0.000 0.482 326 R N 1.223 121.632 120.500 -0.152 0.000 2.148 326 R HA -0.131 4.210 4.340 0.001 0.000 0.227 326 R C 1.932 178.145 176.300 -0.146 0.000 1.103 326 R CA 1.391 57.427 56.100 -0.107 0.000 0.983 326 R CB -0.114 30.145 30.300 -0.068 0.000 0.874 326 R HN 0.273 nan 8.270 nan 0.000 0.451 327 E N 0.663 120.747 120.200 -0.193 0.000 2.338 327 E HA -0.131 4.220 4.350 0.001 0.000 0.197 327 E C 1.064 177.508 176.600 -0.261 0.000 1.007 327 E CA 0.787 57.074 56.400 -0.189 0.000 0.849 327 E CB 0.071 29.664 29.700 -0.177 0.000 0.774 327 E HN 0.042 nan 8.360 nan 0.000 0.506 328 K N 0.433 120.575 120.400 -0.430 0.000 2.459 328 K HA 0.099 4.420 4.320 0.001 0.000 0.193 328 K C 0.404 176.778 176.600 -0.376 0.000 1.030 328 K CA 0.447 56.320 56.287 -0.690 0.000 1.026 328 K CB 0.722 32.196 32.500 -1.709 0.000 0.809 328 K HN 0.106 nan 8.250 nan 0.000 0.504 329 T N -0.091 114.362 114.554 -0.168 0.000 2.900 329 T HA 0.274 4.625 4.350 0.001 0.000 0.303 329 T C -0.626 174.069 174.700 -0.008 0.000 1.142 329 T CA -0.516 61.573 62.100 -0.018 0.000 1.007 329 T CB 1.617 70.531 68.868 0.076 0.000 1.156 329 T HN -0.140 nan 8.240 nan 0.000 0.490 330 E N 1.053 121.267 120.200 0.024 0.000 2.583 330 E HA 0.333 4.684 4.350 0.001 0.000 0.213 330 E C 0.524 177.142 176.600 0.030 0.000 0.989 330 E CA -0.165 56.250 56.400 0.025 0.000 0.991 330 E CB 0.752 30.469 29.700 0.027 0.000 1.040 330 E HN 0.709 nan 8.360 nan 0.000 0.481 331 A N 1.597 124.427 122.820 0.017 0.000 2.511 331 A HA 0.231 4.552 4.320 0.001 0.000 0.242 331 A C -0.018 177.504 177.584 -0.104 0.000 1.069 331 A CA -0.245 51.728 52.037 -0.107 0.000 0.763 331 A CB -0.455 18.539 19.000 -0.010 0.000 1.001 331 A HN 0.208 nan 8.150 nan 0.000 0.498 332 Y N 0.171 120.418 120.300 -0.087 0.000 2.300 332 Y HA 0.596 5.147 4.550 0.001 0.000 0.328 332 Y C 0.281 176.133 175.900 -0.081 0.000 1.270 332 Y CA -1.139 56.917 58.100 -0.073 0.000 1.352 332 Y CB 0.328 38.741 38.460 -0.079 0.000 1.286 332 Y HN 0.664 nan 8.280 nan 0.000 0.536 333 E N 0.715 120.996 120.200 0.134 0.000 2.360 333 E HA 0.375 4.726 4.350 0.001 0.000 0.269 333 E C 0.880 177.535 176.600 0.092 0.000 1.022 333 E CA 1.371 57.812 56.400 0.068 0.000 0.887 333 E CB 0.713 30.455 29.700 0.069 0.000 0.990 333 E HN 0.938 nan 8.360 nan 0.000 0.426 334 G N 2.794 111.609 108.800 0.024 0.000 2.205 334 G HA2 -0.435 3.526 3.960 0.001 0.000 0.261 334 G HA3 -0.435 3.526 3.960 0.001 0.000 0.261 334 G C 1.088 175.955 174.900 -0.055 0.000 0.980 334 G CA 0.628 45.746 45.100 0.030 0.000 0.632 334 G HN 0.641 nan 8.290 nan 0.000 0.533 335 E N -0.314 119.697 120.200 -0.314 0.000 2.114 335 E HA -0.101 4.250 4.350 0.001 0.000 0.199 335 E C 1.523 177.747 176.600 -0.626 0.000 1.008 335 E CA 1.490 57.441 56.400 -0.749 0.000 0.810 335 E CB -0.199 28.472 29.700 -1.715 0.000 0.739 335 E HN 0.675 nan 8.360 nan 0.000 0.456 336 F N 0.436 120.272 119.950 -0.189 0.000 2.639 336 F HA 0.246 4.774 4.527 0.001 0.000 0.300 336 F C 0.704 176.527 175.800 0.039 0.000 1.109 336 F CA -0.497 57.392 58.000 -0.184 0.000 1.335 336 F CB 0.469 39.123 39.000 -0.577 0.000 1.014 336 F HN -0.254 nan 8.300 nan 0.000 0.537 337 K N 2.456 122.928 120.400 0.120 0.000 2.416 337 K HA 0.256 4.577 4.320 0.001 0.000 0.283 337 K C -0.473 176.167 176.600 0.067 0.000 1.037 337 K CA 0.180 56.523 56.287 0.093 0.000 0.995 337 K CB 0.478 33.014 32.500 0.061 0.000 0.938 337 K HN 0.289 nan 8.250 nan 0.000 0.475 338 L N 3.715 124.952 121.223 0.025 0.000 2.322 338 L HA 0.395 4.736 4.340 0.001 0.000 0.269 338 L C 0.399 177.254 176.870 -0.025 0.000 1.012 338 L CA -1.015 53.794 54.840 -0.052 0.000 0.815 338 L CB 1.520 43.490 42.059 -0.149 0.000 1.295 338 L HN 0.497 nan 8.230 nan 0.000 0.438 339 K N -0.096 120.278 120.400 -0.044 0.000 2.230 339 K HA 0.145 4.466 4.320 0.001 0.000 0.253 339 K C 0.972 177.562 176.600 -0.017 0.000 1.008 339 K CA -0.305 55.968 56.287 -0.025 0.000 0.910 339 K CB 0.496 32.977 32.500 -0.031 0.000 0.994 339 K HN 0.547 nan 8.250 nan 0.000 0.495 340 T N 1.069 115.618 114.554 -0.009 0.000 2.607 340 T HA -0.182 4.169 4.350 0.001 0.000 0.267 340 T C 1.482 176.182 174.700 -0.001 0.000 1.049 340 T CA 1.684 63.782 62.100 -0.003 0.000 1.162 340 T CB -0.280 68.583 68.868 -0.007 0.000 0.863 340 T HN 0.489 nan 8.240 nan 0.000 0.424 341 N N 1.090 119.787 118.700 -0.005 0.000 2.120 341 N HA -0.060 4.681 4.740 0.001 0.000 0.188 341 N C 2.123 177.632 175.510 -0.002 0.000 1.024 341 N CA 1.017 54.068 53.050 0.001 0.000 0.852 341 N CB -0.392 38.098 38.487 0.004 0.000 1.003 341 N HN 0.543 nan 8.380 nan 0.000 0.424 342 Q N 0.419 120.201 119.800 -0.029 0.000 2.096 342 Q HA -0.104 4.237 4.340 0.001 0.000 0.204 342 Q C 2.181 178.167 176.000 -0.023 0.000 0.982 342 Q CA 1.119 56.882 55.803 -0.066 0.000 0.850 342 Q CB -0.099 28.556 28.738 -0.139 0.000 0.901 342 Q HN 0.337 nan 8.270 nan 0.000 0.422 343 R N 1.100 121.606 120.500 0.009 0.000 2.081 343 R HA -0.140 4.200 4.340 0.001 0.000 0.235 343 R C 1.978 178.353 176.300 0.126 0.000 1.131 343 R CA 1.286 57.448 56.100 0.105 0.000 0.960 343 R CB 0.085 30.437 30.300 0.086 0.000 0.856 343 R HN 0.088 nan 8.270 nan 0.000 0.436 344 K N 0.008 120.441 120.400 0.055 0.000 2.032 344 K HA -0.139 4.182 4.320 0.001 0.000 0.209 344 K C 2.062 178.680 176.600 0.029 0.000 1.048 344 K CA 1.829 58.130 56.287 0.023 0.000 0.927 344 K CB -0.207 32.295 32.500 0.004 0.000 0.712 344 K HN 0.092 nan 8.250 nan 0.000 0.441 345 V N 1.297 121.250 119.914 0.065 0.000 2.295 345 V HA -0.252 3.869 4.120 0.001 0.000 0.246 345 V C 2.073 178.257 176.094 0.150 0.000 1.049 345 V CA 1.766 64.138 62.300 0.120 0.000 1.024 345 V CB -0.609 31.274 31.823 0.100 0.000 0.648 345 V HN 0.204 nan 8.190 nan 0.000 0.447 346 F N 1.736 121.653 119.950 -0.055 0.000 2.063 346 F HA -0.271 4.256 4.527 0.002 0.000 0.298 346 F C 2.626 178.411 175.800 -0.025 0.000 1.109 346 F CA 2.023 59.981 58.000 -0.070 0.000 1.212 346 F CB -0.786 38.160 39.000 -0.091 0.000 0.973 346 F HN 0.111 nan 8.300 nan 0.000 0.480 347 S N 0.135 115.753 115.700 -0.136 0.000 2.368 347 S HA -0.240 4.231 4.470 0.001 0.000 0.226 347 S C 1.845 176.340 174.600 -0.174 0.000 1.044 347 S CA 1.734 59.800 58.200 -0.224 0.000 1.062 347 S CB -0.431 62.708 63.200 -0.102 0.000 0.931 347 S HN 0.473 nan 8.310 nan 0.000 0.440 348 E N 0.843 120.984 120.200 -0.098 0.000 2.170 348 E HA 0.113 4.463 4.350 0.001 0.000 0.191 348 E C 2.127 178.807 176.600 0.134 0.000 0.981 348 E CA 0.247 56.587 56.400 -0.100 0.000 0.830 348 E CB -0.343 29.124 29.700 -0.388 0.000 0.775 348 E HN 0.464 nan 8.360 nan 0.000 0.470 349 L N 0.410 121.761 121.223 0.213 0.000 2.079 349 L HA -0.167 4.174 4.340 0.001 0.000 0.210 349 L C 2.367 179.236 176.870 -0.002 0.000 1.081 349 L CA 0.992 55.951 54.840 0.198 0.000 0.752 349 L CB -0.371 41.747 42.059 0.099 0.000 0.896 349 L HN 0.097 nan 8.230 nan 0.000 0.433 350 I N -0.949 119.550 120.570 -0.118 0.000 2.206 350 I HA -0.221 3.950 4.170 0.001 0.000 0.239 350 I C 2.837 178.901 176.117 -0.088 0.000 1.078 350 I CA 0.964 62.168 61.300 -0.160 0.000 1.367 350 I CB -0.332 37.480 38.000 -0.312 0.000 1.078 350 I HN 0.147 nan 8.210 nan 0.000 0.413 351 R N 0.371 120.816 120.500 -0.092 0.000 2.073 351 R HA -0.139 4.201 4.340 0.001 0.000 0.234 351 R C 1.983 178.279 176.300 -0.006 0.000 1.134 351 R CA 2.197 58.260 56.100 -0.062 0.000 0.952 351 R CB -0.101 30.148 30.300 -0.084 0.000 0.850 351 R HN 0.298 nan 8.270 nan 0.000 0.433 352 T N -1.667 112.916 114.554 0.047 0.000 3.056 352 T HA 0.117 4.468 4.350 0.001 0.000 0.241 352 T C 1.514 176.340 174.700 0.210 0.000 1.006 352 T CA 0.556 62.727 62.100 0.117 0.000 1.115 352 T CB 0.322 69.261 68.868 0.119 0.000 0.939 352 T HN 0.456 nan 8.240 nan 0.000 0.462 353 G N 1.257 110.225 108.800 0.280 0.000 2.534 353 G HA2 -0.054 3.907 3.960 0.001 0.000 0.217 353 G HA3 -0.054 3.907 3.960 0.001 0.000 0.217 353 G C 0.290 175.212 174.900 0.036 0.000 1.128 353 G CA 0.461 45.705 45.100 0.241 0.000 0.784 353 G HN 0.466 nan 8.290 nan 0.000 0.542 354 D N -0.680 119.736 120.400 0.026 0.000 2.882 354 D HA -0.147 4.494 4.640 0.001 0.000 0.229 354 D C 0.547 176.829 176.300 -0.029 0.000 1.167 354 D CA 0.596 54.595 54.000 -0.001 0.000 0.759 354 D CB -1.441 39.377 40.800 0.031 0.000 1.088 354 D HN 0.319 nan 8.370 nan 0.000 0.425 355 L N 0.106 121.279 121.223 -0.083 0.000 2.439 355 L HA 0.243 4.584 4.340 0.001 0.000 0.269 355 L C -1.578 175.272 176.870 -0.034 0.000 1.179 355 L CA -1.450 53.353 54.840 -0.061 0.000 0.828 355 L CB -0.048 41.943 42.059 -0.112 0.000 1.106 355 L HN -0.288 nan 8.230 nan 0.000 0.467 356 P HA -0.010 nan 4.420 nan 0.000 0.267 356 P C 0.950 178.273 177.300 0.038 0.000 1.200 356 P CA -0.306 62.805 63.100 0.018 0.000 0.772 356 P CB 0.627 32.362 31.700 0.057 0.000 0.855 357 V N 1.333 121.261 119.914 0.022 0.000 2.278 357 V HA -0.249 3.872 4.120 0.001 0.000 0.251 357 V C 1.882 178.099 176.094 0.205 0.000 1.062 357 V CA 2.067 64.409 62.300 0.071 0.000 1.038 357 V CB -1.435 30.405 31.823 0.029 0.000 0.646 357 V HN 0.734 nan 8.190 nan 0.000 0.447 358 W N 0.221 121.508 121.300 -0.023 0.000 2.358 358 W HA -0.207 4.454 4.660 0.001 0.000 0.303 358 W C 2.193 178.700 176.519 -0.020 0.000 1.208 358 W CA 1.849 59.162 57.345 -0.053 0.000 1.274 358 W CB -0.281 29.124 29.460 -0.092 0.000 1.138 358 W HN 0.214 nan 8.180 nan 0.000 0.515 359 L N 1.533 122.861 121.223 0.175 0.000 2.027 359 L HA 0.006 4.347 4.340 0.001 0.000 0.206 359 L C 2.518 179.227 176.870 -0.268 0.000 1.074 359 L CA 2.684 57.493 54.840 -0.051 0.000 0.745 359 L CB -1.530 40.634 42.059 0.176 0.000 0.898 359 L HN 0.067 nan 8.230 nan 0.000 0.433 360 A N -1.118 121.650 122.820 -0.087 0.000 1.940 360 A HA -0.288 4.033 4.320 0.001 0.000 0.219 360 A C 2.296 179.879 177.584 -0.001 0.000 1.176 360 A CA 1.956 53.967 52.037 -0.044 0.000 0.631 360 A CB -1.185 17.822 19.000 0.012 0.000 0.814 360 A HN 0.537 nan 8.150 nan 0.000 0.446 361 F N 0.577 120.450 119.950 -0.127 0.000 2.146 361 F HA -0.198 4.330 4.527 0.001 0.000 0.298 361 F C 2.550 177.942 175.800 -0.680 0.000 1.096 361 F CA 2.030 59.769 58.000 -0.435 0.000 1.275 361 F CB -0.045 38.626 39.000 -0.548 0.000 1.008 361 F HN 0.218 nan 8.300 nan 0.000 0.480 362 Q N 0.084 119.368 119.800 -0.861 0.000 2.119 362 Q HA -0.120 4.221 4.340 0.001 0.000 0.201 362 Q C 2.534 177.567 176.000 -1.612 0.000 0.972 362 Q CA 1.676 56.670 55.803 -1.349 0.000 0.847 362 Q CB -1.212 26.373 28.738 -1.921 0.000 0.903 362 Q HN 0.393 nan 8.270 nan 0.000 0.433 363 V N 1.447 120.516 119.914 -1.408 0.000 2.307 363 V HA -0.216 3.905 4.120 0.001 0.000 0.245 363 V C 2.429 178.106 176.094 -0.694 0.000 1.045 363 V CA 1.842 63.427 62.300 -1.193 0.000 1.024 363 V CB -1.217 29.993 31.823 -1.022 0.000 0.651 363 V HN 0.334 nan 8.190 nan 0.000 0.449 364 A N 0.923 123.402 122.820 -0.569 0.000 1.873 364 A HA -0.183 4.138 4.320 0.001 0.000 0.215 364 A C 2.510 179.808 177.584 -0.477 0.000 1.186 364 A CA 2.162 53.960 52.037 -0.399 0.000 0.616 364 A CB -0.818 18.013 19.000 -0.282 0.000 0.823 364 A HN 0.679 nan 8.150 nan 0.000 0.442 365 S N -0.197 115.062 115.700 -0.735 0.000 2.474 365 S HA 0.198 4.669 4.470 0.001 0.000 0.235 365 S C 1.692 176.063 174.600 -0.382 0.000 0.997 365 S CA 0.967 58.784 58.200 -0.638 0.000 0.949 365 S CB -0.371 62.278 63.200 -0.917 0.000 0.766 365 S HN 0.854 nan 8.310 nan 0.000 0.517 366 A N 1.558 124.152 122.820 -0.377 0.000 2.238 366 A HA 0.237 4.558 4.320 0.001 0.000 0.208 366 A C 0.943 178.471 177.584 -0.092 0.000 1.177 366 A CA 0.234 52.176 52.037 -0.158 0.000 0.804 366 A CB -0.515 18.463 19.000 -0.036 0.000 0.823 366 A HN 0.513 nan 8.150 nan 0.000 0.482 367 N N -1.435 117.178 118.700 -0.145 0.000 2.829 367 N HA -0.128 4.612 4.740 0.001 0.000 0.250 367 N C -0.269 175.212 175.510 -0.047 0.000 1.090 367 N CA 0.924 53.924 53.050 -0.084 0.000 0.781 367 N CB -1.775 36.685 38.487 -0.045 0.000 1.124 367 N HN 0.243 nan 8.380 nan 0.000 0.559 368 V N 1.281 121.155 119.914 -0.066 0.000 2.614 368 V HA 0.055 4.176 4.120 0.001 0.000 0.291 368 V C 1.001 177.074 176.094 -0.034 0.000 1.049 368 V CA -0.061 62.224 62.300 -0.026 0.000 1.038 368 V CB 1.317 33.128 31.823 -0.020 0.000 0.980 368 V HN 0.031 nan 8.190 nan 0.000 0.481 369 E N 2.445 122.612 120.200 -0.055 0.000 2.390 369 E HA 0.030 4.381 4.350 0.001 0.000 0.261 369 E C 0.578 177.152 176.600 -0.043 0.000 1.076 369 E CA -0.197 56.164 56.400 -0.065 0.000 0.905 369 E CB 0.521 30.111 29.700 -0.183 0.000 0.984 369 E HN 0.665 nan 8.360 nan 0.000 0.427 370 Y N 3.305 123.606 120.300 0.002 0.000 2.114 370 Y HA -0.303 4.247 4.550 0.001 0.000 0.282 370 Y C 2.266 178.216 175.900 0.085 0.000 1.165 370 Y CA 2.579 60.740 58.100 0.101 0.000 1.148 370 Y CB -0.019 38.524 38.460 0.139 0.000 0.972 370 Y HN 0.683 nan 8.280 nan 0.000 0.504 371 H N -1.831 117.288 119.070 0.081 0.000 2.547 371 H HA 0.033 4.589 4.556 0.001 0.000 0.272 371 H C -0.175 175.109 175.328 -0.074 0.000 0.989 371 H CA 0.871 56.895 56.048 -0.039 0.000 1.214 371 H CB -0.483 29.323 29.762 0.073 0.000 1.389 371 H HN 0.292 nan 8.280 nan 0.000 0.577 372 D N 1.433 121.610 120.400 -0.372 0.000 2.411 372 D HA 0.071 4.711 4.640 0.001 0.000 0.225 372 D C 0.443 176.759 176.300 0.026 0.000 1.156 372 D CA -0.518 53.382 54.000 -0.168 0.000 0.874 372 D CB 0.596 41.272 40.800 -0.207 0.000 1.034 372 D HN 0.092 nan 8.370 nan 0.000 0.502 373 R N 3.304 123.769 120.500 -0.058 0.000 2.466 373 R HA 0.046 4.386 4.340 0.001 0.000 0.279 373 R C 1.500 177.692 176.300 -0.180 0.000 0.976 373 R CA -0.031 55.940 56.100 -0.216 0.000 1.081 373 R CB -0.179 29.885 30.300 -0.393 0.000 1.215 373 R HN 0.493 nan 8.270 nan 0.000 0.546 374 K N 0.845 121.282 120.400 0.061 0.000 2.283 374 K HA -0.089 4.232 4.320 0.001 0.000 0.202 374 K C 1.649 178.305 176.600 0.093 0.000 1.048 374 K CA 0.924 57.308 56.287 0.162 0.000 0.948 374 K CB -0.289 32.299 32.500 0.147 0.000 0.742 374 K HN 0.325 nan 8.250 nan 0.000 0.458 375 W N 0.496 121.832 121.300 0.061 0.000 2.468 375 W HA -0.120 4.541 4.660 0.001 0.000 0.262 375 W C 0.538 177.047 176.519 -0.016 0.000 1.241 375 W CA 0.321 57.686 57.345 0.033 0.000 1.232 375 W CB -1.090 28.486 29.460 0.194 0.000 1.124 375 W HN 0.067 nan 8.180 nan 0.000 0.597 376 C N 0.148 118.843 119.300 -1.009 0.000 2.500 376 C HA 0.044 4.505 4.460 0.001 0.000 0.273 376 C C 1.891 176.342 174.990 -0.898 0.000 1.428 376 C CA 0.514 58.812 59.018 -1.200 0.000 1.766 376 C CB -1.894 24.804 27.740 -1.737 0.000 1.817 376 C HN 0.311 nan 8.230 nan 0.000 0.543 377 F N 0.294 120.162 119.950 -0.137 0.000 2.834 377 F HA 0.152 4.679 4.527 0.001 0.000 0.332 377 F C 1.319 177.085 175.800 -0.056 0.000 1.056 377 F CA 0.078 58.025 58.000 -0.089 0.000 1.178 377 F CB -0.096 38.831 39.000 -0.122 0.000 1.037 377 F HN 0.122 nan 8.300 nan 0.000 0.580 378 D N 0.143 120.607 120.400 0.106 0.000 2.424 378 D HA 0.201 4.842 4.640 0.001 0.000 0.220 378 D C 1.022 177.313 176.300 -0.015 0.000 1.150 378 D CA 0.010 54.041 54.000 0.052 0.000 0.831 378 D CB -0.447 40.387 40.800 0.056 0.000 0.981 378 D HN 0.101 nan 8.370 nan 0.000 0.500 379 G N 1.093 109.880 108.800 -0.022 0.000 2.631 379 G HA2 0.368 4.329 3.960 0.001 0.000 0.271 379 G HA3 0.368 4.329 3.960 0.001 0.000 0.271 379 G C -2.254 172.570 174.900 -0.126 0.000 1.302 379 G CA -0.914 44.129 45.100 -0.094 0.000 1.002 379 G HN 0.113 nan 8.290 nan 0.000 0.519 380 P HA 0.154 nan 4.420 nan 0.000 0.276 380 P C 0.208 177.438 177.300 -0.117 0.000 1.252 380 P CA -0.493 62.481 63.100 -0.210 0.000 0.802 380 P CB 1.141 32.656 31.700 -0.310 0.000 1.035 381 N N 0.430 119.094 118.700 -0.060 0.000 2.272 381 N HA -0.211 4.530 4.740 0.001 0.000 0.185 381 N C 1.276 176.801 175.510 0.025 0.000 1.014 381 N CA 1.042 54.086 53.050 -0.009 0.000 0.870 381 N CB -0.249 38.233 38.487 -0.009 0.000 0.975 381 N HN 0.622 nan 8.380 nan 0.000 0.433 382 E N 0.129 120.342 120.200 0.022 0.000 2.409 382 E HA -0.141 4.210 4.350 0.001 0.000 0.198 382 E C 0.638 177.377 176.600 0.232 0.000 1.024 382 E CA 0.917 57.376 56.400 0.099 0.000 0.861 382 E CB -0.273 29.485 29.700 0.096 0.000 0.788 382 E HN 0.636 nan 8.360 nan 0.000 0.521 383 H N 0.007 119.081 119.070 0.008 0.000 2.529 383 H HA 0.151 4.707 4.556 0.001 0.000 0.277 383 H C 0.090 175.425 175.328 0.011 0.000 1.004 383 H CA -0.932 55.124 56.048 0.014 0.000 1.167 383 H CB 0.388 30.158 29.762 0.014 0.000 1.445 383 H HN 0.086 nan 8.280 nan 0.000 0.554 384 L N 2.629 123.924 121.223 0.120 0.000 2.584 384 L HA -0.034 4.307 4.340 0.001 0.000 0.272 384 L C -0.302 176.597 176.870 0.048 0.000 1.195 384 L CA 0.420 55.302 54.840 0.070 0.000 0.920 384 L CB 0.140 42.228 42.059 0.048 0.000 1.173 384 L HN 0.143 nan 8.230 nan 0.000 0.489 385 L N 6.531 127.777 121.223 0.039 0.000 2.371 385 L HA 0.368 4.709 4.340 0.001 0.000 0.272 385 L C -0.290 176.594 176.870 0.022 0.000 1.124 385 L CA -0.415 54.435 54.840 0.017 0.000 0.816 385 L CB 0.749 42.814 42.059 0.009 0.000 1.129 385 L HN 0.585 nan 8.230 nan 0.000 0.448 386 L N 2.952 124.183 121.223 0.013 0.000 2.381 386 L HA 0.601 4.942 4.340 0.001 0.000 0.268 386 L C -0.433 176.447 176.870 0.017 0.000 0.997 386 L CA -0.519 54.331 54.840 0.017 0.000 0.818 386 L CB 2.385 44.452 42.059 0.013 0.000 1.310 386 L HN 0.542 nan 8.230 nan 0.000 0.416 387 E N 2.235 122.449 120.200 0.023 0.000 2.291 387 E HA 0.146 4.496 4.350 0.001 0.000 0.276 387 E C -0.915 175.699 176.600 0.025 0.000 0.896 387 E CA -0.488 55.928 56.400 0.027 0.000 0.774 387 E CB 1.804 31.527 29.700 0.038 0.000 1.227 387 E HN 0.637 nan 8.360 nan 0.000 0.413 388 N N 3.787 122.500 118.700 0.021 0.000 2.721 388 N HA -0.245 4.495 4.740 0.001 0.000 0.249 388 N C -0.570 174.949 175.510 0.015 0.000 1.072 388 N CA 1.411 54.471 53.050 0.017 0.000 0.710 388 N CB -0.999 37.498 38.487 0.016 0.000 0.993 388 N HN 0.717 nan 8.380 nan 0.000 0.547 389 N N -2.403 116.306 118.700 0.015 0.000 2.828 389 N HA -0.222 4.519 4.740 0.001 0.000 0.248 389 N C -0.925 174.594 175.510 0.015 0.000 1.044 389 N CA 1.544 54.602 53.050 0.014 0.000 0.851 389 N CB -1.107 37.386 38.487 0.012 0.000 1.136 389 N HN 0.767 nan 8.380 nan 0.000 0.572 390 Q N 0.249 120.060 119.800 0.019 0.000 2.413 390 Q HA 0.297 4.638 4.340 0.001 0.000 0.276 390 Q C 0.138 176.153 176.000 0.024 0.000 1.099 390 Q CA -0.947 54.868 55.803 0.020 0.000 0.814 390 Q CB 1.995 30.747 28.738 0.022 0.000 1.379 390 Q HN 0.184 nan 8.270 nan 0.000 0.436 391 E N 1.738 121.952 120.200 0.023 0.000 2.425 391 E HA 0.068 4.419 4.350 0.001 0.000 0.258 391 E C -0.746 175.873 176.600 0.033 0.000 1.151 391 E CA 0.136 56.552 56.400 0.026 0.000 0.958 391 E CB 0.618 30.328 29.700 0.018 0.000 0.968 391 E HN 0.463 nan 8.360 nan 0.000 0.451 392 I N 1.463 122.058 120.570 0.042 0.000 2.371 392 I HA 0.138 4.309 4.170 0.001 0.000 0.282 392 I C 0.330 176.470 176.117 0.038 0.000 1.031 392 I CA -0.348 60.984 61.300 0.055 0.000 1.180 392 I CB 0.979 39.028 38.000 0.080 0.000 1.336 392 I HN 0.380 nan 8.210 nan 0.000 0.467 393 E N 4.980 125.188 120.200 0.014 0.000 2.299 393 E HA 0.300 4.651 4.350 0.001 0.000 0.272 393 E C -0.652 175.919 176.600 -0.048 0.000 1.043 393 E CA -0.101 56.259 56.400 -0.066 0.000 0.895 393 E CB 1.066 30.749 29.700 -0.028 0.000 1.011 393 E HN 0.331 nan 8.360 nan 0.000 0.432 394 V N 3.369 123.191 119.914 -0.153 0.000 3.166 394 V HA 0.463 4.584 4.120 0.001 0.000 0.317 394 V C -0.984 174.913 176.094 -0.329 0.000 1.136 394 V CA -0.938 61.330 62.300 -0.054 0.000 1.035 394 V CB 1.467 33.359 31.823 0.116 0.000 1.110 394 V HN 0.660 nan 8.190 nan 0.000 0.450 395 W N 0.424 121.708 121.300 -0.026 0.000 2.802 395 W HA 0.551 5.212 4.660 0.001 0.000 0.331 395 W C 0.450 176.923 176.519 -0.077 0.000 1.021 395 W CA -0.394 56.907 57.345 -0.073 0.000 1.259 395 W CB 1.515 30.944 29.460 -0.052 0.000 1.323 395 W HN 0.765 nan 8.180 nan 0.000 0.432 396 T N -0.687 113.882 114.554 0.025 0.000 2.667 396 T HA 0.167 4.517 4.350 0.001 0.000 0.305 396 T C 1.516 176.233 174.700 0.028 0.000 1.022 396 T CA -0.190 61.899 62.100 -0.019 0.000 0.995 396 T CB 0.936 69.718 68.868 -0.144 0.000 1.026 396 T HN 0.402 nan 8.240 nan 0.000 0.527 397 R N 0.091 120.591 120.500 0.000 0.000 2.117 397 R HA -0.106 4.234 4.340 0.001 0.000 0.243 397 R C 2.344 178.650 176.300 0.010 0.000 1.143 397 R CA 1.500 57.602 56.100 0.004 0.000 0.968 397 R CB -0.752 29.543 30.300 -0.009 0.000 0.863 397 R HN 0.751 nan 8.270 nan 0.000 0.444 398 Q N 0.109 119.913 119.800 0.006 0.000 2.432 398 Q HA -0.008 4.333 4.340 0.001 0.000 0.205 398 Q C -0.212 175.813 176.000 0.042 0.000 0.945 398 Q CA 0.799 56.609 55.803 0.011 0.000 0.924 398 Q CB 0.401 29.136 28.738 -0.005 0.000 1.016 398 Q HN 0.486 nan 8.270 nan 0.000 0.503 399 G N 2.235 111.088 108.800 0.089 0.000 2.799 399 G HA2 -0.222 3.738 3.960 0.001 0.000 0.271 399 G HA3 -0.222 3.738 3.960 0.001 0.000 0.271 399 G C -0.818 174.269 174.900 0.310 0.000 1.067 399 G CA -0.055 45.178 45.100 0.222 0.000 1.251 399 G HN 0.330 nan 8.290 nan 0.000 0.560 400 Q N -0.528 119.395 119.800 0.205 0.000 2.330 400 Q HA 0.505 4.846 4.340 0.001 0.000 0.269 400 Q C 0.407 176.097 176.000 -0.517 0.000 1.022 400 Q CA -1.262 54.492 55.803 -0.082 0.000 0.796 400 Q CB 1.711 30.312 28.738 -0.229 0.000 1.271 400 Q HN 0.388 nan 8.270 nan 0.000 0.450 401 R N 3.534 123.623 120.500 -0.684 0.000 2.488 401 R HA 0.052 4.393 4.340 0.001 0.000 0.306 401 R C -1.048 174.870 176.300 -0.636 0.000 1.271 401 R CA 0.562 56.054 56.100 -1.013 0.000 1.022 401 R CB -0.068 29.870 30.300 -0.604 0.000 1.054 401 R HN 0.442 nan 8.270 nan 0.000 0.500 402 R N 3.303 123.395 120.500 -0.681 0.000 2.621 402 R HA 0.371 4.712 4.340 0.001 0.000 0.284 402 R C -0.736 175.419 176.300 -0.241 0.000 0.998 402 R CA -1.156 54.659 56.100 -0.474 0.000 0.895 402 R CB 1.654 31.439 30.300 -0.857 0.000 1.195 402 R HN 0.368 nan 8.270 nan 0.000 0.450 403 V N 0.186 120.059 119.914 -0.068 0.000 2.743 403 V HA 0.406 4.526 4.120 0.001 0.000 0.301 403 V C 0.112 176.324 176.094 0.197 0.000 1.057 403 V CA -1.156 61.166 62.300 0.036 0.000 1.006 403 V CB 0.995 32.822 31.823 0.005 0.000 1.024 403 V HN 0.452 nan 8.190 nan 0.000 0.473 404 L N 3.818 125.137 121.223 0.160 0.000 2.418 404 L HA 0.449 4.790 4.340 0.001 0.000 0.274 404 L C 0.405 177.328 176.870 0.088 0.000 1.135 404 L CA 0.683 55.599 54.840 0.127 0.000 0.870 404 L CB 0.056 42.202 42.059 0.144 0.000 1.154 404 L HN 0.996 nan 8.230 nan 0.000 0.462 405 K N 5.301 125.735 120.400 0.057 0.000 2.956 405 K HA 0.289 4.610 4.320 0.001 0.000 0.239 405 K C -2.795 173.849 176.600 0.073 0.000 1.253 405 K CA -0.936 55.398 56.287 0.079 0.000 0.963 405 K CB 1.187 33.736 32.500 0.081 0.000 1.297 405 K HN 0.240 nan 8.250 nan 0.000 0.566 406 P HA 0.114 nan 4.420 nan 0.000 0.278 406 P C 0.059 177.518 177.300 0.265 0.000 1.238 406 P CA -0.324 62.892 63.100 0.193 0.000 0.794 406 P CB 1.401 33.284 31.700 0.304 0.000 0.955 407 R N 1.783 122.362 120.500 0.131 0.000 2.105 407 R HA -0.067 4.274 4.340 0.001 0.000 0.239 407 R C 0.210 176.254 176.300 -0.426 0.000 1.135 407 R CA 1.463 57.328 56.100 -0.392 0.000 0.967 407 R CB 0.090 29.717 30.300 -1.122 0.000 0.861 407 R HN 0.598 nan 8.270 nan 0.000 0.442 408 W N 0.209 121.749 121.300 0.401 0.000 2.656 408 W HA 0.289 4.950 4.660 0.001 0.000 0.327 408 W C -1.078 175.575 176.519 0.223 0.000 1.041 408 W CA -1.320 56.203 57.345 0.297 0.000 1.229 408 W CB 0.863 30.374 29.460 0.085 0.000 1.397 408 W HN -0.122 nan 8.180 nan 0.000 0.479 409 L N 4.101 125.441 121.223 0.194 0.000 2.255 409 L HA 0.289 4.630 4.340 0.001 0.000 0.289 409 L C -0.255 176.653 176.870 0.064 0.000 1.046 409 L CA 0.408 55.203 54.840 -0.075 0.000 0.816 409 L CB 0.213 41.967 42.059 -0.509 0.000 1.197 409 L HN 0.229 nan 8.230 nan 0.000 0.427 410 D N 3.074 123.515 120.400 0.069 0.000 2.440 410 D HA 0.283 4.924 4.640 0.001 0.000 0.239 410 D C 1.046 177.278 176.300 -0.113 0.000 1.084 410 D CA -0.145 53.843 54.000 -0.020 0.000 0.843 410 D CB 2.031 42.913 40.800 0.136 0.000 1.097 410 D HN 0.693 nan 8.370 nan 0.000 0.531 411 G N 3.330 112.042 108.800 -0.147 0.000 2.501 411 G HA2 -0.245 3.716 3.960 0.001 0.000 0.220 411 G HA3 -0.245 3.716 3.960 0.001 0.000 0.220 411 G C 1.429 176.261 174.900 -0.113 0.000 1.114 411 G CA 0.332 45.355 45.100 -0.129 0.000 0.757 411 G HN 0.485 nan 8.290 nan 0.000 0.559 412 R N -0.404 120.030 120.500 -0.110 0.000 2.189 412 R HA 0.042 4.383 4.340 0.001 0.000 0.218 412 R C 2.150 178.393 176.300 -0.094 0.000 1.074 412 R CA 0.245 56.292 56.100 -0.087 0.000 0.991 412 R CB -0.152 30.108 30.300 -0.067 0.000 0.883 412 R HN 0.263 nan 8.270 nan 0.000 0.457 413 I N 0.740 121.216 120.570 -0.157 0.000 2.264 413 I HA -0.211 3.959 4.170 0.001 0.000 0.248 413 I C 2.031 178.089 176.117 -0.099 0.000 1.111 413 I CA 1.835 63.005 61.300 -0.216 0.000 1.382 413 I CB -1.267 36.430 38.000 -0.505 0.000 1.060 413 I HN 0.221 nan 8.210 nan 0.000 0.418 414 T N -3.436 111.069 114.554 -0.081 0.000 3.132 414 T HA 0.136 4.487 4.350 0.001 0.000 0.274 414 T C 1.507 176.195 174.700 -0.019 0.000 1.011 414 T CA 0.400 62.482 62.100 -0.031 0.000 0.899 414 T CB -0.235 68.616 68.868 -0.028 0.000 1.089 414 T HN 0.317 nan 8.240 nan 0.000 0.543 415 S N 1.773 117.452 115.700 -0.034 0.000 2.423 415 S HA 0.061 4.532 4.470 0.001 0.000 0.231 415 S C 0.486 175.085 174.600 -0.002 0.000 1.014 415 S CA 0.687 58.872 58.200 -0.025 0.000 0.965 415 S CB -0.526 62.649 63.200 -0.041 0.000 0.785 415 S HN 0.848 nan 8.310 nan 0.000 0.495 416 D N -1.274 119.121 120.400 -0.008 0.000 2.692 416 D HA 0.164 4.805 4.640 0.001 0.000 0.303 416 D C 0.713 177.009 176.300 -0.008 0.000 1.278 416 D CA -0.515 53.486 54.000 0.001 0.000 0.852 416 D CB -0.082 40.686 40.800 -0.053 0.000 1.375 416 D HN 0.153 nan 8.370 nan 0.000 0.453 417 H N -0.361 118.724 119.070 0.025 0.000 2.462 417 H HA 0.069 4.626 4.556 0.001 0.000 0.292 417 H C 1.461 176.813 175.328 0.041 0.000 1.049 417 H CA 0.767 56.833 56.048 0.030 0.000 1.334 417 H CB -0.142 29.632 29.762 0.020 0.000 1.404 417 H HN 0.311 nan 8.280 nan 0.000 0.544 418 L N 0.748 121.710 121.223 -0.434 0.000 2.056 418 L HA -0.159 4.182 4.340 0.001 0.000 0.207 418 L C 2.296 179.136 176.870 -0.050 0.000 1.078 418 L CA 1.161 55.877 54.840 -0.207 0.000 0.749 418 L CB -0.473 41.432 42.059 -0.257 0.000 0.901 418 L HN 0.199 nan 8.230 nan 0.000 0.433 419 N N 0.158 118.828 118.700 -0.049 0.000 2.142 419 N HA -0.157 4.583 4.740 0.001 0.000 0.186 419 N C 1.730 177.286 175.510 0.077 0.000 1.023 419 N CA 1.006 54.063 53.050 0.012 0.000 0.852 419 N CB -0.342 38.135 38.487 -0.015 0.000 0.998 419 N HN 0.125 nan 8.380 nan 0.000 0.424 420 L N 1.754 123.021 121.223 0.074 0.000 2.027 420 L HA -0.088 4.253 4.340 0.001 0.000 0.206 420 L C 2.177 179.142 176.870 0.159 0.000 1.074 420 L CA 1.766 56.683 54.840 0.128 0.000 0.745 420 L CB -0.675 41.447 42.059 0.105 0.000 0.898 420 L HN 0.081 nan 8.230 nan 0.000 0.433 421 K N -1.050 119.426 120.400 0.128 0.000 2.009 421 K HA -0.232 4.089 4.320 0.001 0.000 0.210 421 K C 2.341 179.016 176.600 0.125 0.000 1.049 421 K CA 1.876 58.236 56.287 0.122 0.000 0.929 421 K CB -0.493 32.076 32.500 0.115 0.000 0.714 421 K HN 0.426 nan 8.250 nan 0.000 0.440 422 S N -0.273 115.501 115.700 0.124 0.000 2.359 422 S HA -0.208 4.263 4.470 0.001 0.000 0.224 422 S C 1.838 176.551 174.600 0.188 0.000 1.035 422 S CA 1.365 59.645 58.200 0.134 0.000 1.018 422 S CB -0.569 62.695 63.200 0.108 0.000 0.876 422 S HN 0.482 nan 8.310 nan 0.000 0.448 423 F N 1.814 121.803 119.950 0.066 0.000 2.234 423 F HA 0.103 4.631 4.527 0.001 0.000 0.299 423 F C 2.181 178.042 175.800 0.102 0.000 1.087 423 F CA 1.485 59.533 58.000 0.080 0.000 1.340 423 F CB -0.251 38.767 39.000 0.029 0.000 1.031 423 F HN 0.182 nan 8.300 nan 0.000 0.500 424 K N 0.111 120.585 120.400 0.124 0.000 2.057 424 K HA -0.190 4.131 4.320 0.001 0.000 0.207 424 K C 1.991 178.585 176.600 -0.010 0.000 1.049 424 K CA 1.880 58.193 56.287 0.043 0.000 0.931 424 K CB -0.228 32.336 32.500 0.107 0.000 0.714 424 K HN 0.335 nan 8.250 nan 0.000 0.440 425 E N -0.044 120.178 120.200 0.036 0.000 2.077 425 E HA -0.206 4.144 4.350 0.001 0.000 0.193 425 E C 1.785 178.379 176.600 -0.010 0.000 0.989 425 E CA 1.219 57.638 56.400 0.032 0.000 0.800 425 E CB -0.145 29.596 29.700 0.069 0.000 0.746 425 E HN 0.226 nan 8.360 nan 0.000 0.452 426 F N 1.339 121.185 119.950 -0.174 0.000 2.075 426 F HA -0.181 4.347 4.527 0.001 0.000 0.297 426 F C 2.217 177.792 175.800 -0.375 0.000 1.113 426 F CA 1.543 59.393 58.000 -0.250 0.000 1.218 426 F CB -0.356 38.484 39.000 -0.267 0.000 0.984 426 F HN -0.042 nan 8.300 nan 0.000 0.472 427 A N -0.681 121.838 122.820 -0.502 0.000 2.024 427 A HA -0.169 4.152 4.320 0.001 0.000 0.220 427 A C 2.214 179.678 177.584 -0.200 0.000 1.164 427 A CA 1.931 53.610 52.037 -0.598 0.000 0.643 427 A CB -1.155 17.395 19.000 -0.750 0.000 0.806 427 A HN 0.437 nan 8.150 nan 0.000 0.451 428 S N -1.545 114.077 115.700 -0.129 0.000 2.561 428 S HA 0.308 4.779 4.470 0.001 0.000 0.225 428 S C 1.408 175.952 174.600 -0.093 0.000 0.977 428 S CA 0.841 59.019 58.200 -0.037 0.000 0.926 428 S CB -0.147 63.055 63.200 0.004 0.000 0.769 428 S HN 1.679 nan 8.310 nan 0.000 0.533 429 G N 1.893 110.562 108.800 -0.219 0.000 2.149 429 G HA2 -0.320 3.641 3.960 0.001 0.000 0.235 429 G HA3 -0.320 3.641 3.960 0.001 0.000 0.235 429 G C 0.711 175.541 174.900 -0.116 0.000 1.018 429 G CA 0.722 45.697 45.100 -0.209 0.000 0.728 429 G HN 0.511 nan 8.290 nan 0.000 0.508 430 K N -0.592 119.753 120.400 -0.090 0.000 2.062 430 K HA 0.135 4.456 4.320 0.001 0.000 0.205 430 K C 1.675 178.288 176.600 0.021 0.000 1.051 430 K CA 1.035 57.313 56.287 -0.016 0.000 0.941 430 K CB 0.033 32.538 32.500 0.009 0.000 0.719 430 K HN 0.458 nan 8.250 nan 0.000 0.440 431 R N 0.000 120.523 120.500 0.038 0.000 2.786 431 R HA 0.000 4.341 4.340 0.001 0.000 0.208 431 R CA 0.000 56.185 56.100 0.142 0.000 0.921 431 R CB 0.000 30.438 30.300 0.230 0.000 0.687 431 R HN 0.000 nan 8.270 nan 0.000 0.535