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 3etf_1_B DATA FIRST_RESID 7 DATA SEQUENCE TQALSVNPAT GQTLAAXPWA NAQEIEHALS LAASGFKKWK XTSVAQRAQT DATA SEQUENCE LRDIGQALRA HAEEXAQCIT REXGKPIKQA RAEVTKSAAL CDWYAEHGPA DATA SEQUENCE XLNPEPTLVE NQQAVIEYRP LGVILAIXPW NFPLWQVLRG AVPILLAGNS DATA SEQUENCE YLLKHAPNVT GCAQXIARIL AEAGTPAGVY GWVNANNEGV SQXINDPRIA DATA SEQUENCE AVTVTGSVRA GAAIGAQAGA ALKKCVLELG GSDPFIVLND ADLELAVKAA DATA SEQUENCE VAGRYQNTGQ VCAAAKRFIV EEGIAQAFTD RFVAAAAALK XGDPLVEEND DATA SEQUENCE LGPXARFDLR DELHQQVQAS VAEGARLLLG GEKIAGEGNY YAATVLADVT DATA SEQUENCE PDXTAFRQEL FGPVAAITVA KDAAHALALA NDSEFGLSAT IFTADDTLAA DATA SEQUENCE EXAARLECGG VFINGYSASD ARVAFGGVKK SGFGRELSHF GLHEFCNVQT DATA SEQUENCE VWKNRV 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.887 174.700 0.312 0.000 1.109 7 T CA 0.000 62.222 62.100 0.203 0.000 1.349 7 T CB 0.000 69.001 68.868 0.221 0.000 0.612 8 Q N 1.038 120.969 119.800 0.218 0.000 2.230 8 Q HA 0.635 4.977 4.340 0.004 0.000 0.248 8 Q C 0.360 176.376 176.000 0.027 0.000 0.915 8 Q CA -0.537 55.363 55.803 0.161 0.000 0.900 8 Q CB 1.749 30.521 28.738 0.057 0.000 1.229 8 Q HN 1.007 nan 8.270 nan 0.000 0.439 9 A N 3.003 125.638 122.820 -0.308 0.000 3.063 9 A HA 0.340 4.662 4.320 0.004 0.000 0.263 9 A C -0.457 176.959 177.584 -0.281 0.000 1.736 9 A CA -0.049 51.647 52.037 -0.567 0.000 1.408 9 A CB -0.691 17.529 19.000 -1.300 0.000 1.108 9 A HN 0.441 nan 8.150 nan 0.000 0.621 10 L N 0.305 121.449 121.223 -0.133 0.000 2.455 10 L HA 0.585 4.927 4.340 0.004 0.000 0.264 10 L C -0.534 176.304 176.870 -0.054 0.000 0.968 10 L CA 0.136 54.924 54.840 -0.088 0.000 0.827 10 L CB 2.413 44.434 42.059 -0.064 0.000 1.317 10 L HN 0.113 nan 8.230 nan 0.000 0.407 11 S N 2.994 118.664 115.700 -0.049 0.000 2.437 11 S HA 0.837 5.309 4.470 0.004 0.000 0.305 11 S C -0.924 173.657 174.600 -0.032 0.000 1.109 11 S CA -0.522 57.652 58.200 -0.043 0.000 1.099 11 S CB 1.523 64.698 63.200 -0.041 0.000 1.004 11 S HN 0.410 nan 8.310 nan 0.000 0.475 12 V N 3.751 123.650 119.914 -0.025 0.000 2.638 12 V HA 0.372 4.494 4.120 0.004 0.000 0.306 12 V C -0.207 175.885 176.094 -0.002 0.000 1.052 12 V CA -1.096 61.207 62.300 0.005 0.000 0.885 12 V CB 2.048 33.901 31.823 0.050 0.000 0.999 12 V HN 0.819 nan 8.190 nan 0.000 0.424 13 N N 6.985 125.687 118.700 0.003 0.000 2.431 13 N HA 0.172 4.914 4.740 0.004 0.000 0.265 13 N C -1.367 174.136 175.510 -0.012 0.000 1.184 13 N CA -1.618 51.421 53.050 -0.018 0.000 0.943 13 N CB 1.753 40.236 38.487 -0.007 0.000 1.080 13 N HN 0.349 nan 8.380 nan 0.000 0.477 14 P HA -0.051 nan 4.420 nan 0.000 0.226 14 P C 0.665 177.815 177.300 -0.250 0.000 1.153 14 P CA 0.639 63.594 63.100 -0.243 0.000 0.777 14 P CB 0.252 31.711 31.700 -0.402 0.000 0.794 15 A N 0.403 123.132 122.820 -0.152 0.000 1.968 15 A HA -0.066 4.256 4.320 0.004 0.000 0.217 15 A C 2.121 179.757 177.584 0.086 0.000 1.169 15 A CA 2.207 54.209 52.037 -0.059 0.000 0.638 15 A CB -1.356 17.657 19.000 0.022 0.000 0.812 15 A HN 0.379 nan 8.150 nan 0.000 0.446 16 T N -6.331 108.265 114.554 0.070 0.000 2.959 16 T HA 0.424 4.776 4.350 0.004 0.000 0.254 16 T C 1.434 176.203 174.700 0.115 0.000 1.003 16 T CA 1.103 63.258 62.100 0.092 0.000 0.950 16 T CB 0.351 69.252 68.868 0.055 0.000 1.090 16 T HN 1.650 nan 8.240 nan 0.000 0.503 17 G N 1.576 110.477 108.800 0.168 0.000 2.184 17 G HA2 -0.214 3.748 3.960 0.004 0.000 0.264 17 G HA3 -0.214 3.748 3.960 0.004 0.000 0.264 17 G C -0.116 174.819 174.900 0.058 0.000 0.975 17 G CA 0.115 45.334 45.100 0.198 0.000 0.642 17 G HN 0.670 nan 8.290 nan 0.000 0.536 18 Q N 0.877 120.704 119.800 0.046 0.000 2.230 18 Q HA 0.520 4.862 4.340 0.004 0.000 0.253 18 Q C 0.400 176.403 176.000 0.004 0.000 0.919 18 Q CA -0.223 55.587 55.803 0.011 0.000 0.908 18 Q CB 1.020 29.763 28.738 0.008 0.000 1.245 18 Q HN 0.236 nan 8.270 nan 0.000 0.437 19 T N 2.694 117.241 114.554 -0.012 0.000 2.908 19 T HA 0.093 4.445 4.350 0.004 0.000 0.301 19 T C 1.397 176.088 174.700 -0.015 0.000 1.019 19 T CA 0.289 62.378 62.100 -0.017 0.000 1.152 19 T CB 0.274 69.127 68.868 -0.026 0.000 0.966 19 T HN 0.405 nan 8.240 nan 0.000 0.540 20 L N 1.723 122.935 121.223 -0.018 0.000 2.349 20 L HA 0.522 4.864 4.340 0.004 0.000 0.200 20 L C 1.072 177.930 176.870 -0.020 0.000 1.064 20 L CA 0.176 55.006 54.840 -0.018 0.000 0.821 20 L CB 0.005 42.052 42.059 -0.021 0.000 1.027 20 L HN 0.755 nan 8.230 nan 0.000 0.476 21 A N -0.921 121.883 122.820 -0.027 0.000 2.583 21 A HA 0.779 5.101 4.320 0.004 0.000 0.292 21 A C -1.593 175.963 177.584 -0.046 0.000 1.045 21 A CA 0.045 52.064 52.037 -0.029 0.000 0.672 21 A CB 0.790 19.779 19.000 -0.019 0.000 1.283 21 A HN 0.049 nan 8.150 nan 0.000 0.419 25 W N 1.273 122.573 121.300 0.001 0.000 2.170 25 W HA 0.493 5.155 4.660 0.003 0.000 0.342 25 W C 1.071 177.569 176.519 -0.036 0.000 1.294 25 W CA -0.290 57.048 57.345 -0.011 0.000 1.246 25 W CB 0.530 29.987 29.460 -0.004 0.000 1.156 25 W HN 0.527 nan 8.180 nan 0.000 0.572 26 A N 3.519 126.470 122.820 0.218 0.000 2.540 26 A HA 0.080 4.402 4.320 0.004 0.000 0.239 26 A C 0.223 177.850 177.584 0.071 0.000 1.061 26 A CA -0.316 51.762 52.037 0.068 0.000 0.758 26 A CB -0.275 18.723 19.000 -0.003 0.000 0.991 26 A HN 0.690 nan 8.150 nan 0.000 0.502 27 N N 1.512 120.233 118.700 0.035 0.000 2.447 27 N HA 0.508 5.250 4.740 0.004 0.000 0.271 27 N C 1.037 176.551 175.510 0.007 0.000 1.226 27 N CA 0.002 53.068 53.050 0.027 0.000 0.980 27 N CB 0.406 38.905 38.487 0.020 0.000 1.206 27 N HN 0.556 nan 8.380 nan 0.000 0.558 28 A N -0.382 122.440 122.820 0.003 0.000 1.903 28 A HA -0.330 3.992 4.320 0.004 0.000 0.219 28 A C 2.051 179.635 177.584 0.000 0.000 1.191 28 A CA 2.290 54.326 52.037 -0.003 0.000 0.638 28 A CB -1.337 17.661 19.000 -0.003 0.000 0.823 28 A HN 0.879 nan 8.150 nan 0.000 0.451 29 Q N -0.592 119.209 119.800 0.002 0.000 2.124 29 Q HA -0.233 4.109 4.340 0.004 0.000 0.202 29 Q C 1.910 177.923 176.000 0.022 0.000 0.977 29 Q CA 1.893 57.700 55.803 0.007 0.000 0.850 29 Q CB -0.153 28.582 28.738 -0.006 0.000 0.901 29 Q HN 0.810 nan 8.270 nan 0.000 0.429 30 E N 0.164 120.368 120.200 0.005 0.000 2.072 30 E HA -0.135 4.217 4.350 0.004 0.000 0.190 30 E C 2.043 178.652 176.600 0.014 0.000 0.982 30 E CA 1.115 57.520 56.400 0.008 0.000 0.803 30 E CB -0.028 29.653 29.700 -0.032 0.000 0.755 30 E HN 0.428 nan 8.360 nan 0.000 0.453 31 I N 1.146 121.710 120.570 -0.009 0.000 2.142 31 I HA -0.269 3.903 4.170 0.004 0.000 0.240 31 I C 2.617 178.721 176.117 -0.022 0.000 1.078 31 I CA 1.219 62.502 61.300 -0.029 0.000 1.343 31 I CB -0.171 37.809 38.000 -0.033 0.000 1.046 31 I HN 0.063 nan 8.210 nan 0.000 0.405 32 E N 0.761 120.961 120.200 -0.000 0.000 2.085 32 E HA -0.331 4.021 4.350 0.004 0.000 0.194 32 E C 2.069 178.678 176.600 0.015 0.000 0.994 32 E CA 1.913 58.316 56.400 0.004 0.000 0.801 32 E CB -0.298 29.411 29.700 0.015 0.000 0.743 32 E HN 0.558 nan 8.360 nan 0.000 0.453 33 H N -0.402 118.643 119.070 -0.042 0.000 2.321 33 H HA 0.036 4.594 4.556 0.004 0.000 0.300 33 H C 1.808 177.105 175.328 -0.051 0.000 1.087 33 H CA 2.317 58.340 56.048 -0.041 0.000 1.319 33 H CB -0.522 29.213 29.762 -0.044 0.000 1.379 33 H HN 0.228 nan 8.280 nan 0.000 0.501 34 A N 0.745 123.479 122.820 -0.143 0.000 1.883 34 A HA -0.149 4.173 4.320 0.004 0.000 0.217 34 A C 2.581 180.050 177.584 -0.192 0.000 1.186 34 A CA 1.790 53.708 52.037 -0.198 0.000 0.624 34 A CB -1.007 17.913 19.000 -0.133 0.000 0.822 34 A HN 0.491 nan 8.150 nan 0.000 0.444 35 L N -0.901 120.241 121.223 -0.134 0.000 2.027 35 L HA -0.151 4.191 4.340 0.004 0.000 0.206 35 L C 2.942 179.752 176.870 -0.100 0.000 1.074 35 L CA 1.540 56.317 54.840 -0.105 0.000 0.745 35 L CB -0.493 41.522 42.059 -0.073 0.000 0.898 35 L HN 0.509 nan 8.230 nan 0.000 0.433 36 S N 0.050 115.684 115.700 -0.110 0.000 2.368 36 S HA -0.185 4.287 4.470 0.004 0.000 0.225 36 S C 1.948 176.478 174.600 -0.115 0.000 1.030 36 S CA 1.214 59.362 58.200 -0.087 0.000 0.999 36 S CB -0.187 62.975 63.200 -0.063 0.000 0.844 36 S HN 0.250 nan 8.310 nan 0.000 0.459 37 L N 1.679 122.760 121.223 -0.235 0.000 2.056 37 L HA 0.182 4.524 4.340 0.004 0.000 0.207 37 L C 2.565 179.371 176.870 -0.106 0.000 1.078 37 L CA 1.906 56.617 54.840 -0.215 0.000 0.749 37 L CB -1.180 40.649 42.059 -0.383 0.000 0.901 37 L HN 0.349 nan 8.230 nan 0.000 0.433 38 A N -0.671 122.083 122.820 -0.110 0.000 1.902 38 A HA -0.128 4.195 4.320 0.004 0.000 0.217 38 A C 2.436 180.037 177.584 0.028 0.000 1.181 38 A CA 1.821 53.824 52.037 -0.057 0.000 0.623 38 A CB -1.106 17.837 19.000 -0.095 0.000 0.818 38 A HN 0.525 nan 8.150 nan 0.000 0.443 39 A N 0.294 123.128 122.820 0.023 0.000 1.873 39 A HA -0.086 4.236 4.320 0.004 0.000 0.215 39 A C 2.539 180.204 177.584 0.136 0.000 1.186 39 A CA 2.396 54.494 52.037 0.101 0.000 0.616 39 A CB -1.009 18.024 19.000 0.055 0.000 0.823 39 A HN 0.995 nan 8.150 nan 0.000 0.442 40 S N -0.375 115.364 115.700 0.065 0.000 2.383 40 S HA 0.022 4.494 4.470 0.004 0.000 0.227 40 S C 2.042 176.687 174.600 0.074 0.000 1.026 40 S CA 1.313 59.547 58.200 0.058 0.000 0.981 40 S CB -1.146 62.071 63.200 0.027 0.000 0.818 40 S HN 0.673 nan 8.310 nan 0.000 0.472 41 G N 1.022 109.867 108.800 0.074 0.000 2.421 41 G HA2 -0.160 3.802 3.960 0.004 0.000 0.216 41 G HA3 -0.160 3.802 3.960 0.004 0.000 0.216 41 G C 1.202 176.208 174.900 0.178 0.000 1.171 41 G CA 0.880 46.031 45.100 0.086 0.000 0.775 41 G HN 0.530 nan 8.290 nan 0.000 0.543 42 F N 1.658 121.656 119.950 0.080 0.000 2.102 42 F HA -0.001 4.528 4.527 0.003 0.000 0.298 42 F C 2.536 178.431 175.800 0.158 0.000 1.105 42 F CA 1.982 60.073 58.000 0.152 0.000 1.239 42 F CB -0.286 38.775 39.000 0.101 0.000 0.991 42 F HN 0.141 nan 8.300 nan 0.000 0.474 43 K N 0.304 120.661 120.400 -0.072 0.000 2.127 43 K HA -0.248 4.074 4.320 0.004 0.000 0.208 43 K C 2.017 178.525 176.600 -0.153 0.000 1.047 43 K CA 2.019 58.202 56.287 -0.173 0.000 0.927 43 K CB -0.088 32.407 32.500 -0.010 0.000 0.716 43 K HN 0.326 nan 8.250 nan 0.000 0.450 44 K N -0.861 119.520 120.400 -0.031 0.000 2.166 44 K HA -0.085 4.237 4.320 0.004 0.000 0.201 44 K C 1.880 178.518 176.600 0.062 0.000 1.052 44 K CA 0.840 57.139 56.287 0.019 0.000 0.969 44 K CB -0.234 32.313 32.500 0.077 0.000 0.761 44 K HN 0.342 nan 8.250 nan 0.000 0.459 45 W N 4.782 126.017 121.300 -0.108 0.000 2.363 45 W HA -0.138 4.524 4.660 0.003 0.000 0.296 45 W C 0.615 177.072 176.519 -0.105 0.000 1.212 45 W CA 1.053 58.364 57.345 -0.057 0.000 1.260 45 W CB 0.229 29.708 29.460 0.031 0.000 1.131 45 W HN -0.030 nan 8.180 nan 0.000 0.530 49 S N 0.305 115.896 115.700 -0.181 0.000 2.603 49 S HA 0.469 4.941 4.470 0.004 0.000 0.268 49 S C 1.473 175.967 174.600 -0.177 0.000 1.317 49 S CA -0.241 57.874 58.200 -0.142 0.000 1.012 49 S CB 0.932 64.077 63.200 -0.092 0.000 0.926 49 S HN 0.874 nan 8.310 nan 0.000 0.539 50 V N 1.877 121.716 119.914 -0.125 0.000 2.490 50 V HA -0.137 3.986 4.120 0.004 0.000 0.250 50 V C 2.923 178.964 176.094 -0.087 0.000 1.061 50 V CA 2.117 64.352 62.300 -0.108 0.000 1.064 50 V CB -1.846 29.945 31.823 -0.053 0.000 0.670 50 V HN 1.016 nan 8.190 nan 0.000 0.461 51 A N -0.464 122.313 122.820 -0.071 0.000 1.908 51 A HA -0.337 3.986 4.320 0.004 0.000 0.218 51 A C 2.273 179.829 177.584 -0.047 0.000 1.181 51 A CA 2.266 54.273 52.037 -0.051 0.000 0.627 51 A CB -0.551 18.423 19.000 -0.043 0.000 0.818 51 A HN 0.598 nan 8.150 nan 0.000 0.445 52 Q N -0.585 119.170 119.800 -0.075 0.000 2.084 52 Q HA -0.177 4.165 4.340 0.004 0.000 0.202 52 Q C 2.290 178.261 176.000 -0.049 0.000 0.978 52 Q CA 1.488 57.255 55.803 -0.060 0.000 0.844 52 Q CB -0.097 28.587 28.738 -0.091 0.000 0.898 52 Q HN 0.673 nan 8.270 nan 0.000 0.426 53 R N -0.285 120.120 120.500 -0.158 0.000 2.092 53 R HA -0.074 4.268 4.340 0.004 0.000 0.231 53 R C 2.302 178.654 176.300 0.088 0.000 1.119 53 R CA 1.028 57.074 56.100 -0.090 0.000 0.970 53 R CB -0.363 29.760 30.300 -0.295 0.000 0.864 53 R HN 0.276 nan 8.270 nan 0.000 0.440 54 A N 1.092 123.932 122.820 0.032 0.000 1.933 54 A HA -0.233 4.089 4.320 0.004 0.000 0.218 54 A C 2.140 179.761 177.584 0.063 0.000 1.175 54 A CA 1.389 53.457 52.037 0.053 0.000 0.628 54 A CB -0.350 18.658 19.000 0.014 0.000 0.814 54 A HN 0.188 nan 8.150 nan 0.000 0.444 55 Q N -0.240 119.591 119.800 0.051 0.000 2.079 55 Q HA -0.103 4.239 4.340 0.004 0.000 0.200 55 Q C 1.977 178.030 176.000 0.088 0.000 0.974 55 Q CA 2.448 58.285 55.803 0.056 0.000 0.840 55 Q CB -0.971 27.793 28.738 0.042 0.000 0.898 55 Q HN 0.557 nan 8.270 nan 0.000 0.430 56 T N 1.033 115.670 114.554 0.139 0.000 2.720 56 T HA -0.125 4.228 4.350 0.004 0.000 0.268 56 T C 1.667 176.443 174.700 0.125 0.000 1.037 56 T CA 1.390 63.592 62.100 0.170 0.000 1.144 56 T CB -0.259 68.804 68.868 0.326 0.000 0.864 56 T HN 0.242 nan 8.240 nan 0.000 0.444 57 L N 0.373 121.675 121.223 0.133 0.000 2.046 57 L HA -0.119 4.223 4.340 0.004 0.000 0.208 57 L C 2.896 179.816 176.870 0.084 0.000 1.077 57 L CA 1.477 56.380 54.840 0.105 0.000 0.747 57 L CB -0.539 41.597 42.059 0.128 0.000 0.896 57 L HN 0.196 nan 8.230 nan 0.000 0.432 58 R N -0.004 120.542 120.500 0.077 0.000 2.091 58 R HA -0.164 4.179 4.340 0.004 0.000 0.238 58 R C 1.896 178.228 176.300 0.054 0.000 1.136 58 R CA 1.579 57.716 56.100 0.061 0.000 0.959 58 R CB -0.444 29.883 30.300 0.046 0.000 0.856 58 R HN 0.394 nan 8.270 nan 0.000 0.437 59 D N 0.695 121.128 120.400 0.055 0.000 2.144 59 D HA -0.120 4.522 4.640 0.004 0.000 0.199 59 D C 1.923 178.246 176.300 0.039 0.000 0.984 59 D CA 1.053 55.081 54.000 0.047 0.000 0.834 59 D CB -0.155 40.676 40.800 0.053 0.000 0.955 59 D HN 0.244 nan 8.370 nan 0.000 0.465 60 I N 1.021 121.609 120.570 0.031 0.000 2.226 60 I HA -0.164 4.008 4.170 0.004 0.000 0.245 60 I C 2.591 178.722 176.117 0.024 0.000 1.100 60 I CA 1.304 62.607 61.300 0.006 0.000 1.374 60 I CB -0.557 37.427 38.000 -0.027 0.000 1.057 60 I HN 0.013 nan 8.210 nan 0.000 0.413 61 G N 0.167 108.994 108.800 0.044 0.000 2.446 61 G HA2 -0.271 3.692 3.960 0.004 0.000 0.217 61 G HA3 -0.271 3.692 3.960 0.004 0.000 0.217 61 G C 1.569 176.498 174.900 0.049 0.000 1.168 61 G CA 0.569 45.703 45.100 0.056 0.000 0.771 61 G HN 0.413 nan 8.290 nan 0.000 0.551 62 Q N 0.150 119.977 119.800 0.044 0.000 2.084 62 Q HA -0.016 4.327 4.340 0.004 0.000 0.202 62 Q C 3.034 179.059 176.000 0.043 0.000 0.978 62 Q CA 1.291 57.116 55.803 0.037 0.000 0.844 62 Q CB -0.282 28.475 28.738 0.032 0.000 0.898 62 Q HN 0.486 nan 8.270 nan 0.000 0.426 63 A N 0.823 123.679 122.820 0.059 0.000 1.930 63 A HA -0.139 4.183 4.320 0.004 0.000 0.217 63 A C 2.076 179.751 177.584 0.152 0.000 1.175 63 A CA 0.945 53.049 52.037 0.111 0.000 0.627 63 A CB -0.621 18.436 19.000 0.095 0.000 0.815 63 A HN 0.272 nan 8.150 nan 0.000 0.443 64 L N -1.028 120.247 121.223 0.087 0.000 2.017 64 L HA -0.215 4.127 4.340 0.004 0.000 0.208 64 L C 2.904 179.821 176.870 0.080 0.000 1.073 64 L CA 1.618 56.509 54.840 0.084 0.000 0.745 64 L CB -0.428 41.664 42.059 0.055 0.000 0.894 64 L HN 0.365 nan 8.230 nan 0.000 0.432 65 R N -0.371 120.159 120.500 0.050 0.000 2.096 65 R HA -0.145 4.197 4.340 0.004 0.000 0.235 65 R C 2.326 178.620 176.300 -0.011 0.000 1.127 65 R CA 1.270 57.385 56.100 0.025 0.000 0.968 65 R CB -0.466 29.846 30.300 0.019 0.000 0.861 65 R HN 0.362 nan 8.270 nan 0.000 0.440 66 A N 0.395 123.191 122.820 -0.041 0.000 2.019 66 A HA -0.130 4.192 4.320 0.004 0.000 0.219 66 A C 1.019 178.386 177.584 -0.361 0.000 1.164 66 A CA 1.135 53.059 52.037 -0.188 0.000 0.644 66 A CB -0.188 18.679 19.000 -0.220 0.000 0.805 66 A HN 0.336 nan 8.150 nan 0.000 0.449 67 H N -1.679 117.394 119.070 0.006 0.000 2.512 67 H HA 0.448 5.006 4.556 0.004 0.000 0.276 67 H C 1.799 177.131 175.328 0.007 0.000 1.126 67 H CA 0.383 56.434 56.048 0.005 0.000 1.060 67 H CB 0.079 29.843 29.762 0.002 0.000 1.646 67 H HN 0.501 nan 8.280 nan 0.000 0.571 68 A N 1.127 123.989 122.820 0.070 0.000 1.883 68 A HA -0.232 4.090 4.320 0.004 0.000 0.217 68 A C 2.316 179.928 177.584 0.048 0.000 1.186 68 A CA 2.071 54.141 52.037 0.055 0.000 0.624 68 A CB -0.063 18.956 19.000 0.031 0.000 0.822 68 A HN 0.302 nan 8.150 nan 0.000 0.444 69 E N 0.519 120.741 120.200 0.036 0.000 2.072 69 E HA -0.078 4.274 4.350 0.004 0.000 0.191 69 E C 1.240 177.863 176.600 0.038 0.000 0.985 69 E CA 0.953 57.370 56.400 0.029 0.000 0.801 69 E CB -0.207 29.504 29.700 0.017 0.000 0.750 69 E HN 0.702 nan 8.360 nan 0.000 0.452 73 Q N -0.113 119.697 119.800 0.017 0.000 2.124 73 Q HA -0.176 4.166 4.340 0.004 0.000 0.202 73 Q C 2.191 178.193 176.000 0.003 0.000 0.977 73 Q CA 1.791 57.600 55.803 0.009 0.000 0.850 73 Q CB -0.655 28.090 28.738 0.011 0.000 0.901 73 Q HN 0.778 nan 8.270 nan 0.000 0.429 74 C N 0.381 119.683 119.300 0.003 0.000 2.446 74 C HA -0.090 4.373 4.460 0.004 0.000 0.277 74 C C 2.736 177.719 174.990 -0.013 0.000 1.275 74 C CA 0.217 59.230 59.018 -0.008 0.000 1.727 74 C CB -1.062 26.671 27.740 -0.013 0.000 2.010 74 C HN 0.449 nan 8.230 nan 0.000 0.486 75 I N 0.583 121.153 120.570 0.000 0.000 2.127 75 I HA -0.224 3.948 4.170 0.004 0.000 0.241 75 I C 2.666 178.778 176.117 -0.009 0.000 1.075 75 I CA 2.252 63.555 61.300 0.005 0.000 1.334 75 I CB -0.870 37.148 38.000 0.030 0.000 1.040 75 I HN 0.340 nan 8.210 nan 0.000 0.405 76 T N 0.075 114.623 114.554 -0.010 0.000 2.708 76 T HA -0.229 4.124 4.350 0.004 0.000 0.266 76 T C 2.008 176.689 174.700 -0.032 0.000 1.037 76 T CA 1.476 63.563 62.100 -0.021 0.000 1.146 76 T CB -0.300 68.561 68.868 -0.012 0.000 0.865 76 T HN 0.289 nan 8.240 nan 0.000 0.435 77 R N 1.036 121.521 120.500 -0.025 0.000 2.083 77 R HA -0.037 4.305 4.340 0.004 0.000 0.237 77 R C 1.061 177.333 176.300 -0.045 0.000 1.137 77 R CA 1.156 57.239 56.100 -0.029 0.000 0.951 77 R CB 0.037 30.325 30.300 -0.019 0.000 0.851 77 R HN 0.486 nan 8.270 nan 0.000 0.434 81 K N 1.778 122.140 120.400 -0.064 0.000 2.451 81 K HA 0.333 4.655 4.320 0.004 0.000 0.280 81 K C -2.290 174.291 176.600 -0.033 0.000 1.020 81 K CA -1.248 55.006 56.287 -0.055 0.000 1.008 81 K CB 0.591 33.052 32.500 -0.065 0.000 0.917 81 K HN -0.088 nan 8.250 nan 0.000 0.478 82 P HA -0.132 nan 4.420 nan 0.000 0.263 82 P C 0.481 177.776 177.300 -0.008 0.000 1.175 82 P CA 0.106 63.201 63.100 -0.008 0.000 0.761 82 P CB 0.376 32.073 31.700 -0.004 0.000 0.794 83 I N 4.554 125.122 120.570 -0.003 0.000 2.264 83 I HA -0.253 3.919 4.170 0.004 0.000 0.248 83 I C 2.056 178.173 176.117 -0.001 0.000 1.111 83 I CA 1.784 63.084 61.300 -0.001 0.000 1.382 83 I CB -0.406 37.595 38.000 0.000 0.000 1.060 83 I HN 0.327 nan 8.210 nan 0.000 0.418 84 K N -0.132 120.266 120.400 -0.004 0.000 2.097 84 K HA -0.227 4.095 4.320 0.004 0.000 0.206 84 K C 2.055 178.652 176.600 -0.005 0.000 1.049 84 K CA 1.658 57.941 56.287 -0.006 0.000 0.933 84 K CB -0.121 32.373 32.500 -0.010 0.000 0.717 84 K HN 0.502 nan 8.250 nan 0.000 0.442 85 Q N -0.368 119.430 119.800 -0.003 0.000 2.123 85 Q HA -0.058 4.284 4.340 0.004 0.000 0.199 85 Q C 2.126 178.136 176.000 0.017 0.000 0.966 85 Q CA 1.132 56.937 55.803 0.004 0.000 0.845 85 Q CB -0.041 28.696 28.738 -0.001 0.000 0.907 85 Q HN 0.404 nan 8.270 nan 0.000 0.439 86 A N 1.460 124.287 122.820 0.012 0.000 1.902 86 A HA -0.205 4.117 4.320 0.004 0.000 0.217 86 A C 2.012 179.616 177.584 0.034 0.000 1.181 86 A CA 1.332 53.385 52.037 0.027 0.000 0.623 86 A CB -0.365 18.645 19.000 0.016 0.000 0.818 86 A HN 0.198 nan 8.150 nan 0.000 0.443 87 R N -0.506 120.005 120.500 0.019 0.000 2.096 87 R HA -0.054 4.288 4.340 0.004 0.000 0.235 87 R C 2.430 178.737 176.300 0.011 0.000 1.127 87 R CA 1.185 57.295 56.100 0.016 0.000 0.968 87 R CB -0.458 29.846 30.300 0.007 0.000 0.861 87 R HN 0.508 nan 8.270 nan 0.000 0.440 88 A N 1.049 123.869 122.820 -0.000 0.000 1.972 88 A HA -0.219 4.103 4.320 0.004 0.000 0.219 88 A C 2.035 179.601 177.584 -0.030 0.000 1.169 88 A CA 1.474 53.496 52.037 -0.024 0.000 0.635 88 A CB -0.387 18.589 19.000 -0.039 0.000 0.810 88 A HN 0.431 nan 8.150 nan 0.000 0.446 89 E N -0.112 120.100 120.200 0.020 0.000 2.077 89 E HA -0.128 4.224 4.350 0.004 0.000 0.193 89 E C 1.806 178.458 176.600 0.088 0.000 0.989 89 E CA 1.422 57.861 56.400 0.066 0.000 0.800 89 E CB -0.112 29.704 29.700 0.193 0.000 0.746 89 E HN 0.330 nan 8.360 nan 0.000 0.452 90 V N 0.777 120.736 119.914 0.076 0.000 2.307 90 V HA -0.244 3.878 4.120 0.004 0.000 0.245 90 V C 2.393 178.523 176.094 0.060 0.000 1.045 90 V CA 2.151 64.498 62.300 0.077 0.000 1.024 90 V CB -0.799 31.061 31.823 0.060 0.000 0.651 90 V HN 0.373 nan 8.190 nan 0.000 0.449 91 T N -0.386 114.185 114.554 0.028 0.000 2.684 91 T HA -0.278 4.074 4.350 0.004 0.000 0.267 91 T C 1.967 176.674 174.700 0.012 0.000 1.036 91 T CA 2.034 64.142 62.100 0.015 0.000 1.148 91 T CB -0.222 68.640 68.868 -0.009 0.000 0.863 91 T HN 0.450 nan 8.240 nan 0.000 0.436 92 K N 0.658 121.036 120.400 -0.037 0.000 2.057 92 K HA -0.063 4.259 4.320 0.004 0.000 0.207 92 K C 2.547 179.202 176.600 0.092 0.000 1.049 92 K CA 1.333 57.560 56.287 -0.101 0.000 0.931 92 K CB -0.115 32.150 32.500 -0.391 0.000 0.714 92 K HN 0.161 nan 8.250 nan 0.000 0.440 93 S N 0.495 116.317 115.700 0.203 0.000 2.368 93 S HA -0.111 4.361 4.470 0.004 0.000 0.224 93 S C 1.999 176.720 174.600 0.201 0.000 1.029 93 S CA 1.109 59.504 58.200 0.324 0.000 0.988 93 S CB -0.203 63.158 63.200 0.268 0.000 0.838 93 S HN 0.517 nan 8.310 nan 0.000 0.462 94 A N 1.607 124.507 122.820 0.134 0.000 1.898 94 A HA 0.147 4.469 4.320 0.004 0.000 0.216 94 A C 2.350 180.013 177.584 0.131 0.000 1.181 94 A CA 1.618 53.720 52.037 0.109 0.000 0.620 94 A CB -1.055 17.992 19.000 0.078 0.000 0.819 94 A HN 0.507 nan 8.150 nan 0.000 0.442 95 A N -0.474 122.424 122.820 0.130 0.000 1.972 95 A HA -0.033 4.289 4.320 0.004 0.000 0.219 95 A C 2.121 179.845 177.584 0.233 0.000 1.169 95 A CA 1.664 53.791 52.037 0.149 0.000 0.635 95 A CB -0.584 18.475 19.000 0.097 0.000 0.810 95 A HN 0.721 nan 8.150 nan 0.000 0.446 96 L N -0.259 121.125 121.223 0.268 0.000 2.046 96 L HA -0.181 4.161 4.340 0.004 0.000 0.208 96 L C 2.446 179.556 176.870 0.401 0.000 1.077 96 L CA 2.276 57.334 54.840 0.364 0.000 0.747 96 L CB -0.785 41.517 42.059 0.406 0.000 0.896 96 L HN 0.452 nan 8.230 nan 0.000 0.432 97 C N -0.017 119.446 119.300 0.271 0.000 2.413 97 C HA -0.166 4.296 4.460 0.004 0.000 0.276 97 C C 2.389 177.520 174.990 0.235 0.000 1.236 97 C CA 0.968 60.119 59.018 0.222 0.000 1.735 97 C CB -1.163 26.655 27.740 0.130 0.000 2.031 97 C HN 0.604 nan 8.230 nan 0.000 0.474 98 D N -1.065 119.461 120.400 0.209 0.000 2.144 98 D HA -0.143 4.499 4.640 0.004 0.000 0.200 98 D C 1.721 178.138 176.300 0.195 0.000 0.978 98 D CA 1.053 55.151 54.000 0.165 0.000 0.833 98 D CB -0.438 40.441 40.800 0.132 0.000 0.961 98 D HN 0.754 nan 8.370 nan 0.000 0.470 99 W N 0.712 122.080 121.300 0.114 0.000 2.355 99 W HA -0.242 4.420 4.660 0.003 0.000 0.309 99 W C 2.086 178.659 176.519 0.090 0.000 1.206 99 W CA 1.394 58.810 57.345 0.119 0.000 1.284 99 W CB -0.586 28.901 29.460 0.045 0.000 1.145 99 W HN -0.027 nan 8.180 nan 0.000 0.502 100 Y N -0.084 120.456 120.300 0.399 0.000 2.293 100 Y HA -0.128 4.424 4.550 0.004 0.000 0.291 100 Y C 2.525 178.433 175.900 0.013 0.000 1.137 100 Y CA 1.635 59.859 58.100 0.208 0.000 1.202 100 Y CB -0.948 37.670 38.460 0.262 0.000 0.990 100 Y HN 0.030 nan 8.280 nan 0.000 0.537 101 A N -0.077 122.839 122.820 0.159 0.000 1.933 101 A HA -0.251 4.072 4.320 0.004 0.000 0.218 101 A C 2.099 179.632 177.584 -0.085 0.000 1.175 101 A CA 2.020 54.088 52.037 0.050 0.000 0.628 101 A CB -0.543 18.489 19.000 0.052 0.000 0.814 101 A HN 0.556 nan 8.150 nan 0.000 0.444 102 E N -1.505 118.564 120.200 -0.218 0.000 2.042 102 E HA -0.147 4.205 4.350 0.004 0.000 0.189 102 E C 1.736 177.971 176.600 -0.608 0.000 0.974 102 E CA 0.790 56.923 56.400 -0.445 0.000 0.806 102 E CB -0.154 29.162 29.700 -0.639 0.000 0.769 102 E HN 0.750 nan 8.360 nan 0.000 0.451 103 H N -1.184 117.550 119.070 -0.560 0.000 2.595 103 H HA 0.160 4.718 4.556 0.003 0.000 0.265 103 H C 1.891 176.981 175.328 -0.397 0.000 0.953 103 H CA 0.768 56.424 56.048 -0.653 0.000 1.197 103 H CB 0.504 29.442 29.762 -1.373 0.000 1.438 103 H HN 0.311 nan 8.280 nan 0.000 0.531 104 G N 2.358 111.082 108.800 -0.127 0.000 2.404 104 G HA2 -0.160 3.802 3.960 0.004 0.000 0.215 104 G HA3 -0.160 3.802 3.960 0.004 0.000 0.215 104 G C -0.574 174.351 174.900 0.041 0.000 1.174 104 G CA 0.188 45.348 45.100 0.100 0.000 0.780 104 G HN 0.331 nan 8.290 nan 0.000 0.537 105 P HA -0.007 nan 4.420 nan 0.000 0.216 105 P C 1.373 178.666 177.300 -0.012 0.000 1.153 105 P CA 1.531 64.626 63.100 -0.009 0.000 0.858 105 P CB -0.090 31.589 31.700 -0.035 0.000 0.789 109 N N 3.279 122.030 118.700 0.085 0.000 2.454 109 N HA 0.190 4.932 4.740 0.004 0.000 0.254 109 N C -2.201 173.395 175.510 0.145 0.000 1.228 109 N CA -0.750 52.349 53.050 0.082 0.000 0.900 109 N CB 0.337 38.848 38.487 0.039 0.000 1.089 109 N HN 0.003 nan 8.380 nan 0.000 0.449 110 P HA 0.070 nan 4.420 nan 0.000 0.269 110 P C -0.626 176.701 177.300 0.045 0.000 1.209 110 P CA 0.160 63.297 63.100 0.061 0.000 0.776 110 P CB 0.830 32.534 31.700 0.008 0.000 0.876 111 E N 3.110 123.316 120.200 0.009 0.000 2.197 111 E HA 0.298 4.650 4.350 0.004 0.000 0.281 111 E C -1.974 174.593 176.600 -0.056 0.000 0.995 111 E CA -2.018 54.379 56.400 -0.006 0.000 0.808 111 E CB 0.853 30.546 29.700 -0.012 0.000 1.093 111 E HN 0.415 nan 8.360 nan 0.000 0.394 112 P HA 0.013 nan 4.420 nan 0.000 0.274 112 P C -0.385 176.855 177.300 -0.101 0.000 1.246 112 P CA -0.218 62.835 63.100 -0.078 0.000 0.795 112 P CB 0.849 32.513 31.700 -0.060 0.000 1.006 113 T N -2.732 111.740 114.554 -0.137 0.000 2.888 113 T HA 0.414 4.766 4.350 0.004 0.000 0.288 113 T C 1.076 175.686 174.700 -0.151 0.000 1.063 113 T CA -0.863 61.140 62.100 -0.161 0.000 1.010 113 T CB 0.548 69.267 68.868 -0.248 0.000 1.214 113 T HN 0.151 nan 8.240 nan 0.000 0.533 114 L N 0.848 121.986 121.223 -0.142 0.000 2.599 114 L HA 0.209 4.551 4.340 0.004 0.000 0.230 114 L C 0.621 177.408 176.870 -0.137 0.000 1.141 114 L CA -0.176 54.596 54.840 -0.112 0.000 0.877 114 L CB -0.107 41.904 42.059 -0.079 0.000 1.009 114 L HN 0.480 nan 8.230 nan 0.000 0.447 115 V N 1.219 120.992 119.914 -0.234 0.000 2.617 115 V HA -0.112 4.010 4.120 0.004 0.000 0.304 115 V C 0.803 176.802 176.094 -0.159 0.000 1.040 115 V CA 0.055 62.193 62.300 -0.269 0.000 1.149 115 V CB 0.271 31.724 31.823 -0.618 0.000 0.914 115 V HN 0.306 nan 8.190 nan 0.000 0.487 116 E N 4.059 124.215 120.200 -0.074 0.000 2.404 116 E HA 0.062 4.414 4.350 0.004 0.000 0.261 116 E C 0.861 177.440 176.600 -0.035 0.000 1.074 116 E CA 0.050 56.426 56.400 -0.040 0.000 0.917 116 E CB 0.046 29.744 29.700 -0.004 0.000 0.965 116 E HN 0.699 nan 8.360 nan 0.000 0.433 117 N N 1.709 120.391 118.700 -0.029 0.000 2.747 117 N HA -0.240 4.502 4.740 0.004 0.000 0.249 117 N C -1.050 174.444 175.510 -0.027 0.000 1.107 117 N CA 1.105 54.145 53.050 -0.017 0.000 0.707 117 N CB -1.039 37.451 38.487 0.004 0.000 1.054 117 N HN 0.631 nan 8.380 nan 0.000 0.555 118 Q N -2.348 117.420 119.800 -0.054 0.000 2.475 118 Q HA -0.260 4.082 4.340 0.004 0.000 0.280 118 Q C 0.640 176.603 176.000 -0.060 0.000 1.234 118 Q CA 1.492 57.257 55.803 -0.063 0.000 0.873 118 Q CB -1.315 27.399 28.738 -0.039 0.000 1.256 118 Q HN 0.620 nan 8.270 nan 0.000 0.475 119 Q N -1.533 118.219 119.800 -0.081 0.000 2.398 119 Q HA 0.361 4.703 4.340 0.004 0.000 0.204 119 Q C 0.255 176.173 176.000 -0.136 0.000 0.932 119 Q CA 1.156 56.942 55.803 -0.028 0.000 0.916 119 Q CB 0.799 29.593 28.738 0.093 0.000 1.024 119 Q HN 0.487 nan 8.270 nan 0.000 0.504 120 A N 0.692 123.310 122.820 -0.337 0.000 2.398 120 A HA 0.627 4.949 4.320 0.004 0.000 0.301 120 A C -0.449 176.977 177.584 -0.263 0.000 1.041 120 A CA -0.654 51.136 52.037 -0.413 0.000 0.711 120 A CB 1.536 19.934 19.000 -1.002 0.000 1.240 120 A HN -0.000 nan 8.150 nan 0.000 0.420 121 V N -0.145 119.671 119.914 -0.164 0.000 3.074 121 V HA 0.793 4.915 4.120 0.004 0.000 0.314 121 V C -0.806 175.204 176.094 -0.139 0.000 1.117 121 V CA -1.074 61.146 62.300 -0.134 0.000 1.014 121 V CB 1.826 33.598 31.823 -0.085 0.000 1.057 121 V HN 0.643 nan 8.190 nan 0.000 0.438 122 I N 2.085 122.558 120.570 -0.161 0.000 2.354 122 I HA 0.609 4.781 4.170 0.004 0.000 0.292 122 I C 0.034 175.978 176.117 -0.287 0.000 0.989 122 I CA -0.262 60.894 61.300 -0.239 0.000 1.188 122 I CB 1.288 39.105 38.000 -0.304 0.000 1.342 122 I HN 0.786 nan 8.210 nan 0.000 0.457 123 E N 5.342 125.368 120.200 -0.291 0.000 2.207 123 E HA 0.358 4.710 4.350 0.004 0.000 0.270 123 E C -1.433 174.960 176.600 -0.346 0.000 0.927 123 E CA -0.676 55.596 56.400 -0.214 0.000 0.799 123 E CB 2.308 31.961 29.700 -0.079 0.000 1.172 123 E HN 0.299 nan 8.360 nan 0.000 0.404 124 Y N 2.037 122.324 120.300 -0.021 0.000 2.595 124 Y HA 0.219 4.772 4.550 0.004 0.000 0.336 124 Y C 0.477 176.406 175.900 0.048 0.000 0.996 124 Y CA -0.633 57.465 58.100 -0.003 0.000 1.260 124 Y CB 0.603 39.058 38.460 -0.007 0.000 1.108 124 Y HN 0.011 nan 8.280 nan 0.000 0.509 125 R N 3.641 124.230 120.500 0.148 0.000 2.536 125 R HA 0.455 4.797 4.340 0.004 0.000 0.279 125 R C -2.742 173.680 176.300 0.203 0.000 1.001 125 R CA -2.469 53.719 56.100 0.147 0.000 1.027 125 R CB 0.262 30.627 30.300 0.107 0.000 1.096 125 R HN 0.322 nan 8.270 nan 0.000 0.502 126 P HA 0.033 nan 4.420 nan 0.000 0.272 126 P C 0.373 177.848 177.300 0.292 0.000 1.223 126 P CA -0.375 62.916 63.100 0.318 0.000 0.784 126 P CB 0.808 32.796 31.700 0.480 0.000 0.923 127 L N 1.237 122.574 121.223 0.190 0.000 2.221 127 L HA 0.340 4.682 4.340 0.004 0.000 0.202 127 L C 1.354 178.098 176.870 -0.210 0.000 1.074 127 L CA 2.291 57.172 54.840 0.068 0.000 0.795 127 L CB -0.995 41.128 42.059 0.108 0.000 0.960 127 L HN 0.825 nan 8.230 nan 0.000 0.458 128 G N -1.881 106.545 108.800 -0.623 0.000 2.366 128 G HA2 0.050 4.012 3.960 0.004 0.000 0.190 128 G HA3 0.050 4.012 3.960 0.004 0.000 0.190 128 G C -1.413 172.970 174.900 -0.862 0.000 1.299 128 G CA -0.277 43.939 45.100 -1.474 0.000 1.056 128 G HN -0.113 nan 8.290 nan 0.000 0.468 129 V N 2.112 121.706 119.914 -0.534 0.000 2.461 129 V HA 0.484 4.606 4.120 0.004 0.000 0.275 129 V C 0.102 176.044 176.094 -0.252 0.000 1.047 129 V CA -0.500 61.627 62.300 -0.289 0.000 0.955 129 V CB 1.153 32.858 31.823 -0.197 0.000 0.988 129 V HN 0.495 nan 8.190 nan 0.000 0.471 130 I N 5.858 126.269 120.570 -0.264 0.000 2.321 130 I HA 0.336 4.508 4.170 0.004 0.000 0.291 130 I C -0.166 175.703 176.117 -0.414 0.000 0.998 130 I CA -0.840 60.243 61.300 -0.361 0.000 1.227 130 I CB 1.258 38.944 38.000 -0.523 0.000 1.368 130 I HN 0.441 nan 8.210 nan 0.000 0.466 131 L N 6.691 127.703 121.223 -0.352 0.000 2.290 131 L HA 0.675 5.017 4.340 0.004 0.000 0.284 131 L C 0.059 176.687 176.870 -0.403 0.000 1.078 131 L CA 0.088 54.720 54.840 -0.347 0.000 0.815 131 L CB 0.929 42.859 42.059 -0.215 0.000 1.162 131 L HN 0.728 nan 8.230 nan 0.000 0.435 132 A N 5.943 128.455 122.820 -0.513 0.000 2.331 132 A HA 0.813 5.135 4.320 0.004 0.000 0.320 132 A C -0.741 176.697 177.584 -0.242 0.000 1.138 132 A CA -0.483 51.291 52.037 -0.439 0.000 0.790 132 A CB 0.646 19.198 19.000 -0.746 0.000 1.206 132 A HN 0.661 nan 8.150 nan 0.000 0.470 136 W N 0.951 122.352 121.300 0.169 0.000 3.139 136 W HA 0.028 4.690 4.660 0.003 0.000 0.260 136 W C 0.786 177.353 176.519 0.079 0.000 1.312 136 W CA 0.697 58.097 57.345 0.091 0.000 1.606 136 W CB -0.943 28.533 29.460 0.027 0.000 1.118 136 W HN 0.362 nan 8.180 nan 0.000 0.675 137 N N 1.857 120.389 118.700 -0.280 0.000 2.270 137 N HA -0.159 4.583 4.740 0.004 0.000 0.181 137 N C -0.276 175.041 175.510 -0.322 0.000 1.016 137 N CA 0.700 53.604 53.050 -0.244 0.000 0.870 137 N CB -1.066 37.130 38.487 -0.486 0.000 0.979 137 N HN 0.077 nan 8.380 nan 0.000 0.431 138 F N 0.066 120.089 119.950 0.121 0.000 2.686 138 F HA 0.434 4.963 4.527 0.003 0.000 0.365 138 F C -1.830 174.093 175.800 0.205 0.000 1.196 138 F CA -2.097 56.011 58.000 0.180 0.000 1.198 138 F CB 2.230 41.384 39.000 0.258 0.000 1.454 138 F HN -0.160 nan 8.300 nan 0.000 0.539 139 P HA -0.172 nan 4.420 nan 0.000 0.219 139 P C 1.563 179.073 177.300 0.350 0.000 1.146 139 P CA 0.991 64.289 63.100 0.330 0.000 0.808 139 P CB 0.572 32.348 31.700 0.127 0.000 0.779 140 L N -2.033 119.352 121.223 0.271 0.000 2.262 140 L HA 0.196 4.538 4.340 0.004 0.000 0.197 140 L C 2.164 179.152 176.870 0.197 0.000 1.073 140 L CA 0.972 55.931 54.840 0.199 0.000 0.800 140 L CB -1.420 40.740 42.059 0.169 0.000 0.987 140 L HN -0.017 nan 8.230 nan 0.000 0.470 141 W N 0.771 122.134 121.300 0.105 0.000 2.338 141 W HA -0.247 4.415 4.660 0.004 0.000 0.304 141 W C 1.994 178.501 176.519 -0.021 0.000 1.212 141 W CA 1.898 59.253 57.345 0.016 0.000 1.264 141 W CB -0.140 29.298 29.460 -0.036 0.000 1.142 141 W HN 0.357 nan 8.180 nan 0.000 0.512 142 Q N 0.123 119.880 119.800 -0.071 0.000 2.167 142 Q HA -0.179 4.163 4.340 0.004 0.000 0.202 142 Q C 2.233 178.100 176.000 -0.222 0.000 0.970 142 Q CA 2.015 57.683 55.803 -0.224 0.000 0.855 142 Q CB -0.302 28.449 28.738 0.021 0.000 0.911 142 Q HN 0.131 nan 8.270 nan 0.000 0.438 143 V N 0.725 120.562 119.914 -0.127 0.000 2.244 143 V HA -0.258 3.864 4.120 0.004 0.000 0.244 143 V C 2.081 178.027 176.094 -0.246 0.000 1.042 143 V CA 1.614 63.849 62.300 -0.108 0.000 1.006 143 V CB -0.447 31.350 31.823 -0.044 0.000 0.641 143 V HN 0.378 nan 8.190 nan 0.000 0.446 144 L N -0.504 120.555 121.223 -0.274 0.000 2.156 144 L HA -0.116 4.226 4.340 0.004 0.000 0.208 144 L C 2.680 179.285 176.870 -0.441 0.000 1.095 144 L CA 1.294 55.942 54.840 -0.321 0.000 0.770 144 L CB -0.649 41.300 42.059 -0.183 0.000 0.914 144 L HN 0.290 nan 8.230 nan 0.000 0.439 145 R N 0.435 120.498 120.500 -0.728 0.000 2.119 145 R HA -0.197 4.145 4.340 0.004 0.000 0.246 145 R C 2.099 178.155 176.300 -0.407 0.000 1.146 145 R CA 1.890 57.478 56.100 -0.852 0.000 0.962 145 R CB -0.314 29.274 30.300 -1.187 0.000 0.863 145 R HN 0.410 nan 8.270 nan 0.000 0.442 146 G N -1.113 107.512 108.800 -0.291 0.000 2.486 146 G HA2 -0.023 3.939 3.960 0.004 0.000 0.210 146 G HA3 -0.023 3.939 3.960 0.004 0.000 0.210 146 G C 1.432 176.224 174.900 -0.179 0.000 1.168 146 G CA 0.385 45.416 45.100 -0.115 0.000 0.820 146 G HN 0.421 nan 8.290 nan 0.000 0.544 147 A N 0.485 123.047 122.820 -0.430 0.000 1.933 147 A HA 0.084 4.406 4.320 0.004 0.000 0.218 147 A C 2.561 179.935 177.584 -0.350 0.000 1.175 147 A CA 1.760 53.371 52.037 -0.710 0.000 0.628 147 A CB -0.652 17.637 19.000 -1.184 0.000 0.814 147 A HN 0.226 nan 8.150 nan 0.000 0.444 148 V N 0.826 120.555 119.914 -0.307 0.000 2.220 148 V HA -0.191 3.931 4.120 0.004 0.000 0.246 148 V C -0.075 175.841 176.094 -0.297 0.000 1.049 148 V CA 2.685 64.842 62.300 -0.238 0.000 1.003 148 V CB -1.563 30.156 31.823 -0.173 0.000 0.634 148 V HN 0.416 nan 8.190 nan 0.000 0.444 149 P HA -0.100 nan 4.420 nan 0.000 0.217 149 P C 1.826 179.081 177.300 -0.075 0.000 1.150 149 P CA 1.492 64.324 63.100 -0.447 0.000 0.832 149 P CB -0.069 31.332 31.700 -0.498 0.000 0.787 150 I N -1.422 119.145 120.570 -0.005 0.000 2.163 150 I HA -0.254 3.918 4.170 0.004 0.000 0.243 150 I C 2.127 178.353 176.117 0.182 0.000 1.085 150 I CA 1.310 62.682 61.300 0.120 0.000 1.347 150 I CB -0.638 37.426 38.000 0.106 0.000 1.044 150 I HN -0.108 nan 8.210 nan 0.000 0.408 151 L N -0.362 120.953 121.223 0.154 0.000 2.056 151 L HA -0.190 4.152 4.340 0.004 0.000 0.207 151 L C 2.250 179.394 176.870 0.457 0.000 1.078 151 L CA 1.497 56.545 54.840 0.347 0.000 0.749 151 L CB -0.795 41.393 42.059 0.215 0.000 0.901 151 L HN 0.187 nan 8.230 nan 0.000 0.433 152 L N -0.319 121.040 121.223 0.226 0.000 2.083 152 L HA -0.126 4.216 4.340 0.004 0.000 0.209 152 L C 2.390 179.339 176.870 0.132 0.000 1.083 152 L CA 1.885 56.821 54.840 0.160 0.000 0.752 152 L CB -0.808 41.307 42.059 0.094 0.000 0.899 152 L HN 0.214 nan 8.230 nan 0.000 0.433 153 A N -1.112 121.808 122.820 0.168 0.000 2.172 153 A HA 0.253 4.576 4.320 0.004 0.000 0.216 153 A C 1.804 179.510 177.584 0.203 0.000 1.154 153 A CA 1.002 53.151 52.037 0.186 0.000 0.701 153 A CB -0.912 18.224 19.000 0.227 0.000 0.789 153 A HN 0.886 nan 8.150 nan 0.000 0.465 154 G N -1.343 107.605 108.800 0.247 0.000 2.163 154 G HA2 -0.217 3.745 3.960 0.004 0.000 0.213 154 G HA3 -0.217 3.745 3.960 0.004 0.000 0.213 154 G C -0.096 175.181 174.900 0.628 0.000 0.991 154 G CA 0.064 45.296 45.100 0.220 0.000 0.653 154 G HN 0.640 nan 8.290 nan 0.000 0.518 155 N N 0.256 119.304 118.700 0.581 0.000 2.463 155 N HA 0.611 5.353 4.740 0.004 0.000 0.270 155 N C 0.250 176.027 175.510 0.445 0.000 1.205 155 N CA 0.022 53.360 53.050 0.479 0.000 0.974 155 N CB 0.911 39.524 38.487 0.210 0.000 1.197 155 N HN 0.144 nan 8.380 nan 0.000 0.504 156 S N 0.101 115.953 115.700 0.254 0.000 2.646 156 S HA 0.287 4.759 4.470 0.004 0.000 0.276 156 S C -1.216 173.413 174.600 0.048 0.000 1.222 156 S CA -0.427 57.825 58.200 0.087 0.000 1.014 156 S CB 0.448 63.684 63.200 0.060 0.000 0.991 156 S HN 0.467 nan 8.310 nan 0.000 0.533 157 Y N 1.843 122.062 120.300 -0.136 0.000 2.361 157 Y HA 0.621 5.174 4.550 0.004 0.000 0.337 157 Y C -1.426 174.313 175.900 -0.268 0.000 0.965 157 Y CA -1.039 56.953 58.100 -0.180 0.000 1.091 157 Y CB 0.959 39.356 38.460 -0.104 0.000 1.182 157 Y HN 0.482 nan 8.280 nan 0.000 0.450 158 L N 8.067 129.011 121.223 -0.465 0.000 2.342 158 L HA 0.540 4.883 4.340 0.004 0.000 0.276 158 L C -2.059 174.527 176.870 -0.473 0.000 0.997 158 L CA -0.791 53.821 54.840 -0.380 0.000 0.838 158 L CB 1.248 43.149 42.059 -0.262 0.000 1.224 158 L HN 0.700 nan 8.230 nan 0.000 0.416 159 L N 5.233 126.261 121.223 -0.325 0.000 2.289 159 L HA 0.560 4.902 4.340 0.004 0.000 0.285 159 L C -0.566 176.335 176.870 0.052 0.000 1.049 159 L CA 0.036 54.768 54.840 -0.180 0.000 0.804 159 L CB 0.760 42.833 42.059 0.024 0.000 1.195 159 L HN 0.571 nan 8.230 nan 0.000 0.428 160 K N 4.826 125.246 120.400 0.033 0.000 2.389 160 K HA 0.272 4.594 4.320 0.004 0.000 0.261 160 K C -1.139 175.598 176.600 0.229 0.000 1.014 160 K CA -0.341 56.049 56.287 0.173 0.000 0.920 160 K CB 0.351 32.900 32.500 0.082 0.000 1.149 160 K HN 0.918 nan 8.250 nan 0.000 0.444 161 H N 0.969 120.213 119.070 0.289 0.000 2.508 161 H HA 0.455 5.013 4.556 0.003 0.000 0.358 161 H C -0.141 175.320 175.328 0.221 0.000 1.212 161 H CA -0.546 55.621 56.048 0.198 0.000 1.356 161 H CB 1.412 31.230 29.762 0.092 0.000 1.525 161 H HN 0.758 nan 8.280 nan 0.000 0.578 162 A N 3.183 126.306 122.820 0.505 0.000 2.540 162 A HA 0.037 4.359 4.320 0.004 0.000 0.239 162 A C -1.546 176.186 177.584 0.247 0.000 1.061 162 A CA -0.955 51.286 52.037 0.340 0.000 0.758 162 A CB -0.089 19.145 19.000 0.390 0.000 0.991 162 A HN 0.707 nan 8.150 nan 0.000 0.502 163 P HA -0.142 nan 4.420 nan 0.000 0.225 163 P C 0.564 177.916 177.300 0.086 0.000 1.148 163 P CA 1.194 64.424 63.100 0.217 0.000 0.779 163 P CB -0.032 31.854 31.700 0.310 0.000 0.780 164 N N 0.329 119.071 118.700 0.070 0.000 2.336 164 N HA -0.010 4.732 4.740 0.004 0.000 0.189 164 N C 0.823 176.306 175.510 -0.045 0.000 1.113 164 N CA 0.424 53.465 53.050 -0.014 0.000 0.858 164 N CB -0.392 38.044 38.487 -0.084 0.000 0.970 164 N HN 0.143 nan 8.380 nan 0.000 0.471 165 V N -2.458 117.418 119.914 -0.064 0.000 2.909 165 V HA 0.297 4.419 4.120 0.004 0.000 0.362 165 V C 1.434 177.389 176.094 -0.231 0.000 1.356 165 V CA 0.096 62.296 62.300 -0.167 0.000 1.195 165 V CB -0.559 31.118 31.823 -0.243 0.000 1.256 165 V HN 0.184 nan 8.190 nan 0.000 0.567 166 T N -2.472 112.016 114.554 -0.110 0.000 2.962 166 T HA -0.015 4.337 4.350 0.004 0.000 0.270 166 T C 1.961 176.576 174.700 -0.141 0.000 1.088 166 T CA 1.696 63.737 62.100 -0.097 0.000 1.127 166 T CB -0.364 68.595 68.868 0.151 0.000 0.883 166 T HN 0.693 nan 8.240 nan 0.000 0.493 167 G N 0.522 109.266 108.800 -0.094 0.000 2.421 167 G HA2 -0.198 3.764 3.960 0.004 0.000 0.216 167 G HA3 -0.198 3.764 3.960 0.004 0.000 0.216 167 G C 1.837 176.666 174.900 -0.119 0.000 1.171 167 G CA 0.932 45.987 45.100 -0.074 0.000 0.775 167 G HN 0.617 nan 8.290 nan 0.000 0.543 168 C N 0.959 120.171 119.300 -0.148 0.000 2.432 168 C HA 0.131 4.593 4.460 0.004 0.000 0.277 168 C C 3.558 178.427 174.990 -0.201 0.000 1.249 168 C CA 0.904 59.837 59.018 -0.141 0.000 1.725 168 C CB -1.027 26.634 27.740 -0.131 0.000 2.028 168 C HN 0.575 nan 8.230 nan 0.000 0.477 169 A N -0.083 122.519 122.820 -0.363 0.000 1.883 169 A HA -0.168 4.154 4.320 0.004 0.000 0.217 169 A C 1.435 178.578 177.584 -0.735 0.000 1.186 169 A CA 1.266 52.919 52.037 -0.640 0.000 0.624 169 A CB -0.588 17.649 19.000 -1.271 0.000 0.822 169 A HN 0.777 nan 8.150 nan 0.000 0.444 173 A N 1.589 124.407 122.820 -0.004 0.000 1.883 173 A HA -0.168 4.154 4.320 0.004 0.000 0.217 173 A C 2.186 179.809 177.584 0.066 0.000 1.186 173 A CA 1.949 54.083 52.037 0.161 0.000 0.624 173 A CB -0.572 18.638 19.000 0.351 0.000 0.822 173 A HN 0.333 nan 8.150 nan 0.000 0.444 174 R N -0.703 119.806 120.500 0.015 0.000 2.083 174 R HA -0.133 4.209 4.340 0.004 0.000 0.237 174 R C 2.082 178.332 176.300 -0.085 0.000 1.137 174 R CA 1.806 57.888 56.100 -0.031 0.000 0.951 174 R CB -0.592 29.660 30.300 -0.080 0.000 0.851 174 R HN 0.606 nan 8.270 nan 0.000 0.434 175 I N 0.634 121.123 120.570 -0.135 0.000 2.179 175 I HA -0.295 3.877 4.170 0.004 0.000 0.242 175 I C 2.047 178.108 176.117 -0.093 0.000 1.088 175 I CA 1.121 62.340 61.300 -0.137 0.000 1.357 175 I CB -0.199 37.725 38.000 -0.127 0.000 1.051 175 I HN 0.093 nan 8.210 nan 0.000 0.409 176 L N 0.536 121.673 121.223 -0.143 0.000 2.141 176 L HA -0.131 4.211 4.340 0.004 0.000 0.209 176 L C 2.608 179.442 176.870 -0.059 0.000 1.094 176 L CA 1.832 56.577 54.840 -0.159 0.000 0.763 176 L CB -0.955 40.883 42.059 -0.368 0.000 0.908 176 L HN 0.186 nan 8.230 nan 0.000 0.437 177 A N -0.838 121.973 122.820 -0.014 0.000 1.898 177 A HA -0.237 4.085 4.320 0.004 0.000 0.216 177 A C 2.339 179.933 177.584 0.018 0.000 1.181 177 A CA 1.597 53.646 52.037 0.020 0.000 0.620 177 A CB -0.534 18.492 19.000 0.044 0.000 0.819 177 A HN 0.483 nan 8.150 nan 0.000 0.442 178 E N 0.037 120.243 120.200 0.010 0.000 2.153 178 E HA -0.116 4.236 4.350 0.004 0.000 0.194 178 E C 1.832 178.456 176.600 0.039 0.000 0.988 178 E CA 0.941 57.362 56.400 0.035 0.000 0.811 178 E CB -0.222 29.512 29.700 0.058 0.000 0.746 178 E HN 0.531 nan 8.360 nan 0.000 0.466 179 A N 0.109 122.942 122.820 0.022 0.000 2.209 179 A HA 0.159 4.481 4.320 0.004 0.000 0.212 179 A C 1.747 179.350 177.584 0.031 0.000 1.158 179 A CA 1.021 53.073 52.037 0.025 0.000 0.742 179 A CB -0.490 18.511 19.000 0.003 0.000 0.790 179 A HN 0.505 nan 8.150 nan 0.000 0.472 180 G N -1.266 107.551 108.800 0.028 0.000 2.136 180 G HA2 -0.218 3.744 3.960 0.004 0.000 0.242 180 G HA3 -0.218 3.744 3.960 0.004 0.000 0.242 180 G C 0.257 175.177 174.900 0.033 0.000 0.989 180 G CA 0.288 45.411 45.100 0.039 0.000 0.682 180 G HN 0.622 nan 8.290 nan 0.000 0.522 181 T N 2.697 117.248 114.554 -0.004 0.000 2.817 181 T HA 0.416 4.768 4.350 0.004 0.000 0.295 181 T C -1.562 173.101 174.700 -0.061 0.000 0.958 181 T CA -0.133 61.927 62.100 -0.067 0.000 1.157 181 T CB 1.163 69.971 68.868 -0.100 0.000 0.898 181 T HN 0.205 nan 8.240 nan 0.000 0.536 182 P HA 0.232 nan 4.420 nan 0.000 0.267 182 P C -0.435 176.839 177.300 -0.045 0.000 1.200 182 P CA -0.434 62.645 63.100 -0.035 0.000 0.772 182 P CB 0.324 32.026 31.700 0.004 0.000 0.855 183 A N 2.505 125.328 122.820 0.004 0.000 2.567 183 A HA 0.375 4.697 4.320 0.004 0.000 0.240 183 A C 1.643 179.217 177.584 -0.017 0.000 1.053 183 A CA 0.875 52.920 52.037 0.013 0.000 0.755 183 A CB -1.413 17.606 19.000 0.032 0.000 0.978 183 A HN 0.895 nan 8.150 nan 0.000 0.507 184 G N 1.113 109.895 108.800 -0.029 0.000 2.284 184 G HA2 -0.304 3.658 3.960 0.004 0.000 0.247 184 G HA3 -0.304 3.658 3.960 0.004 0.000 0.247 184 G C 1.066 175.921 174.900 -0.074 0.000 1.012 184 G CA 0.747 45.813 45.100 -0.057 0.000 0.618 184 G HN 1.264 nan 8.290 nan 0.000 0.521 185 V N -0.511 119.323 119.914 -0.133 0.000 2.358 185 V HA 0.161 4.283 4.120 0.004 0.000 0.246 185 V C 1.186 177.192 176.094 -0.147 0.000 1.047 185 V CA 2.103 64.227 62.300 -0.294 0.000 1.035 185 V CB -0.240 31.133 31.823 -0.749 0.000 0.658 185 V HN 0.581 nan 8.190 nan 0.000 0.452 186 Y N -0.387 119.815 120.300 -0.163 0.000 2.376 186 Y HA 0.683 5.235 4.550 0.004 0.000 0.340 186 Y C 0.029 175.953 175.900 0.041 0.000 0.965 186 Y CA -0.169 57.912 58.100 -0.030 0.000 1.078 186 Y CB 1.592 40.010 38.460 -0.070 0.000 1.193 186 Y HN 0.086 nan 8.280 nan 0.000 0.452 187 G N 4.437 112.919 108.800 -0.531 0.000 2.649 187 G HA2 0.514 4.476 3.960 0.004 0.000 0.290 187 G HA3 0.514 4.476 3.960 0.004 0.000 0.290 187 G C -2.272 172.486 174.900 -0.237 0.000 1.426 187 G CA -0.755 44.202 45.100 -0.238 0.000 0.794 187 G HN 0.826 nan 8.290 nan 0.000 0.483 188 W N -0.640 120.536 121.300 -0.207 0.000 3.075 188 W HA 0.782 5.445 4.660 0.004 0.000 0.334 188 W C -2.380 174.119 176.519 -0.034 0.000 1.243 188 W CA -1.454 55.814 57.345 -0.128 0.000 1.170 188 W CB 1.131 30.575 29.460 -0.027 0.000 1.452 188 W HN 0.953 nan 8.180 nan 0.000 0.572 189 V N 2.684 122.413 119.914 -0.310 0.000 2.851 189 V HA 0.284 4.406 4.120 0.004 0.000 0.307 189 V C -1.065 174.840 176.094 -0.315 0.000 1.129 189 V CA -0.623 61.372 62.300 -0.509 0.000 0.932 189 V CB 2.072 33.751 31.823 -0.240 0.000 1.024 189 V HN 0.619 nan 8.190 nan 0.000 0.426 190 N N 4.858 123.318 118.700 -0.401 0.000 3.245 190 N HA 0.467 5.209 4.740 0.004 0.000 0.296 190 N C -0.019 175.644 175.510 0.254 0.000 1.254 190 N CA 0.481 53.555 53.050 0.040 0.000 1.190 190 N CB 0.402 38.902 38.487 0.022 0.000 1.460 190 N HN 0.915 nan 8.380 nan 0.000 0.538 191 A N 1.900 124.824 122.820 0.173 0.000 2.354 191 A HA 0.358 4.681 4.320 0.004 0.000 0.269 191 A C 0.493 178.045 177.584 -0.055 0.000 1.109 191 A CA -0.770 51.313 52.037 0.076 0.000 0.800 191 A CB 0.202 19.192 19.000 -0.016 0.000 1.045 191 A HN 0.772 nan 8.150 nan 0.000 0.489 192 N N 2.001 120.466 118.700 -0.392 0.000 2.366 192 N HA 0.067 4.810 4.740 0.004 0.000 0.277 192 N C 0.458 175.691 175.510 -0.462 0.000 1.275 192 N CA -0.472 52.008 53.050 -0.950 0.000 0.964 192 N CB 0.006 37.632 38.487 -1.435 0.000 1.167 192 N HN 0.482 nan 8.380 nan 0.000 0.568 193 N N -0.172 118.273 118.700 -0.424 0.000 2.094 193 N HA -0.212 4.531 4.740 0.004 0.000 0.191 193 N C 1.176 176.581 175.510 -0.174 0.000 1.023 193 N CA 1.145 54.058 53.050 -0.228 0.000 0.857 193 N CB -0.361 38.019 38.487 -0.179 0.000 1.013 193 N HN 0.783 nan 8.380 nan 0.000 0.426 194 E N 0.169 120.254 120.200 -0.192 0.000 2.077 194 E HA -0.119 4.233 4.350 0.004 0.000 0.193 194 E C 1.908 178.439 176.600 -0.115 0.000 0.989 194 E CA 1.223 57.543 56.400 -0.133 0.000 0.800 194 E CB -0.241 29.383 29.700 -0.127 0.000 0.746 194 E HN 0.393 nan 8.360 nan 0.000 0.452 195 G N 0.500 109.217 108.800 -0.139 0.000 2.402 195 G HA2 -0.203 3.759 3.960 0.004 0.000 0.216 195 G HA3 -0.203 3.759 3.960 0.004 0.000 0.216 195 G C 1.660 176.507 174.900 -0.088 0.000 1.162 195 G CA 0.814 45.854 45.100 -0.101 0.000 0.777 195 G HN 0.216 nan 8.290 nan 0.000 0.539 196 V N 1.240 121.095 119.914 -0.097 0.000 2.295 196 V HA -0.196 3.926 4.120 0.004 0.000 0.246 196 V C 3.133 179.186 176.094 -0.069 0.000 1.049 196 V CA 2.270 64.523 62.300 -0.079 0.000 1.024 196 V CB -0.649 31.130 31.823 -0.074 0.000 0.648 196 V HN 0.368 nan 8.190 nan 0.000 0.447 197 S N -1.112 114.546 115.700 -0.069 0.000 2.370 197 S HA -0.216 4.256 4.470 0.004 0.000 0.226 197 S C 1.258 175.828 174.600 -0.050 0.000 1.033 197 S CA 1.077 59.244 58.200 -0.055 0.000 1.011 197 S CB -0.293 62.875 63.200 -0.054 0.000 0.852 197 S HN 0.724 nan 8.310 nan 0.000 0.457 201 N N 1.320 120.000 118.700 -0.033 0.000 2.461 201 N HA -0.013 4.729 4.740 0.004 0.000 0.188 201 N C 0.231 175.726 175.510 -0.025 0.000 1.134 201 N CA 0.248 53.282 53.050 -0.025 0.000 0.878 201 N CB 0.385 38.858 38.487 -0.023 0.000 0.972 201 N HN 0.260 nan 8.380 nan 0.000 0.456 202 D N 0.736 121.116 120.400 -0.033 0.000 2.264 202 D HA 0.063 4.705 4.640 0.004 0.000 0.250 202 D C -1.581 174.701 176.300 -0.030 0.000 1.113 202 D CA -2.087 51.895 54.000 -0.031 0.000 0.871 202 D CB 1.593 42.370 40.800 -0.038 0.000 1.167 202 D HN 0.030 nan 8.370 nan 0.000 0.447 203 P HA -0.084 nan 4.420 nan 0.000 0.225 203 P C 0.961 178.246 177.300 -0.026 0.000 1.148 203 P CA 0.684 63.774 63.100 -0.017 0.000 0.779 203 P CB 0.313 32.010 31.700 -0.006 0.000 0.780 204 R N -0.986 119.494 120.500 -0.032 0.000 2.235 204 R HA 0.048 4.390 4.340 0.004 0.000 0.213 204 R C 0.764 177.015 176.300 -0.082 0.000 1.059 204 R CA 0.355 56.428 56.100 -0.044 0.000 0.997 204 R CB -0.195 30.084 30.300 -0.036 0.000 0.884 204 R HN 0.170 nan 8.270 nan 0.000 0.462 205 I N 0.637 121.159 120.570 -0.080 0.000 2.325 205 I HA 0.086 4.258 4.170 0.004 0.000 0.291 205 I C 1.096 177.161 176.117 -0.086 0.000 1.019 205 I CA -0.122 61.117 61.300 -0.102 0.000 1.302 205 I CB 1.086 39.029 38.000 -0.095 0.000 1.401 205 I HN 0.063 nan 8.210 nan 0.000 0.485 206 A N 5.526 128.280 122.820 -0.110 0.000 1.943 206 A HA 0.611 4.934 4.320 0.004 0.000 0.213 206 A C 0.963 178.545 177.584 -0.003 0.000 1.181 206 A CA 0.998 52.995 52.037 -0.068 0.000 0.653 206 A CB 0.207 19.140 19.000 -0.113 0.000 0.833 206 A HN 0.784 nan 8.150 nan 0.000 0.451 207 A N -2.144 120.669 122.820 -0.012 0.000 2.564 207 A HA 0.606 4.928 4.320 0.004 0.000 0.291 207 A C -1.465 176.112 177.584 -0.012 0.000 1.102 207 A CA -0.264 51.823 52.037 0.084 0.000 0.660 207 A CB 0.617 19.801 19.000 0.306 0.000 1.283 207 A HN 0.582 nan 8.150 nan 0.000 0.430 208 V N -0.002 119.957 119.914 0.076 0.000 2.789 208 V HA 0.833 4.955 4.120 0.004 0.000 0.311 208 V C -0.189 175.933 176.094 0.047 0.000 1.073 208 V CA -0.353 61.933 62.300 -0.023 0.000 0.921 208 V CB 1.973 33.793 31.823 -0.006 0.000 1.009 208 V HN 1.103 nan 8.190 nan 0.000 0.426 209 T N 3.006 117.513 114.554 -0.077 0.000 2.848 209 T HA 0.743 5.096 4.350 0.004 0.000 0.285 209 T C -1.414 173.265 174.700 -0.035 0.000 0.995 209 T CA -0.287 61.829 62.100 0.027 0.000 0.970 209 T CB 1.369 70.248 68.868 0.018 0.000 0.976 209 T HN 0.470 nan 8.240 nan 0.000 0.441 210 V N 4.599 124.503 119.914 -0.018 0.000 2.638 210 V HA 0.609 4.731 4.120 0.004 0.000 0.306 210 V C -0.163 175.911 176.094 -0.034 0.000 1.052 210 V CA -0.774 61.501 62.300 -0.042 0.000 0.885 210 V CB 2.228 34.017 31.823 -0.056 0.000 0.999 210 V HN 1.005 nan 8.190 nan 0.000 0.424 211 T N 3.412 117.952 114.554 -0.024 0.000 2.812 211 T HA 0.862 5.214 4.350 0.004 0.000 0.282 211 T C 0.350 175.030 174.700 -0.033 0.000 0.990 211 T CA 0.251 62.345 62.100 -0.011 0.000 0.960 211 T CB 1.613 70.488 68.868 0.012 0.000 0.948 211 T HN 1.286 nan 8.240 nan 0.000 0.438 212 G N 2.107 110.875 108.800 -0.053 0.000 2.513 212 G HA2 0.404 4.367 3.960 0.004 0.000 0.182 212 G HA3 0.404 4.367 3.960 0.004 0.000 0.182 212 G C -0.612 174.215 174.900 -0.121 0.000 1.190 212 G CA -0.161 44.878 45.100 -0.102 0.000 0.987 212 G HN 0.969 nan 8.290 nan 0.000 0.479 213 S N -0.324 115.308 115.700 -0.113 0.000 2.632 213 S HA 0.531 5.003 4.470 0.004 0.000 0.271 213 S C 1.472 176.048 174.600 -0.040 0.000 1.260 213 S CA 0.249 58.388 58.200 -0.101 0.000 1.010 213 S CB 1.627 64.777 63.200 -0.085 0.000 0.965 213 S HN 1.191 nan 8.310 nan 0.000 0.534 214 V N 2.297 122.211 119.914 0.001 0.000 2.332 214 V HA -0.203 3.919 4.120 0.004 0.000 0.248 214 V C 2.909 179.001 176.094 -0.004 0.000 1.055 214 V CA 2.185 64.495 62.300 0.016 0.000 1.038 214 V CB -1.103 30.753 31.823 0.055 0.000 0.651 214 V HN 0.847 nan 8.190 nan 0.000 0.450 215 R N -0.073 120.427 120.500 -0.001 0.000 2.083 215 R HA -0.162 4.180 4.340 0.004 0.000 0.237 215 R C 2.462 178.758 176.300 -0.007 0.000 1.137 215 R CA 1.645 57.744 56.100 -0.001 0.000 0.951 215 R CB -0.642 29.662 30.300 0.006 0.000 0.851 215 R HN 0.553 nan 8.270 nan 0.000 0.434 216 A N 0.450 123.263 122.820 -0.012 0.000 1.877 216 A HA -0.079 4.243 4.320 0.004 0.000 0.216 216 A C 2.382 179.952 177.584 -0.023 0.000 1.186 216 A CA 1.758 53.787 52.037 -0.014 0.000 0.620 216 A CB -1.195 17.798 19.000 -0.013 0.000 0.822 216 A HN 0.491 nan 8.150 nan 0.000 0.443 217 G N -0.445 108.335 108.800 -0.034 0.000 2.446 217 G HA2 -0.032 3.930 3.960 0.004 0.000 0.217 217 G HA3 -0.032 3.930 3.960 0.004 0.000 0.217 217 G C 1.758 176.640 174.900 -0.030 0.000 1.168 217 G CA 1.584 46.653 45.100 -0.052 0.000 0.771 217 G HN 0.821 nan 8.290 nan 0.000 0.551 218 A N 1.045 123.856 122.820 -0.015 0.000 1.902 218 A HA 0.293 4.615 4.320 0.004 0.000 0.217 218 A C 2.806 180.394 177.584 0.007 0.000 1.181 218 A CA 2.244 54.283 52.037 0.004 0.000 0.623 218 A CB -0.727 18.274 19.000 0.002 0.000 0.818 218 A HN 0.779 nan 8.150 nan 0.000 0.443 219 A N -0.167 122.652 122.820 -0.003 0.000 1.898 219 A HA -0.027 4.295 4.320 0.004 0.000 0.216 219 A C 2.111 179.692 177.584 -0.005 0.000 1.181 219 A CA 1.514 53.548 52.037 -0.005 0.000 0.620 219 A CB -0.538 18.456 19.000 -0.011 0.000 0.819 219 A HN 0.483 nan 8.150 nan 0.000 0.442 220 I N -0.441 120.124 120.570 -0.008 0.000 2.286 220 I HA -0.108 4.064 4.170 0.004 0.000 0.245 220 I C 2.713 178.838 176.117 0.012 0.000 1.104 220 I CA 0.945 62.240 61.300 -0.008 0.000 1.397 220 I CB -0.620 37.368 38.000 -0.020 0.000 1.072 220 I HN 0.368 nan 8.210 nan 0.000 0.417 221 G N 0.760 109.575 108.800 0.025 0.000 2.469 221 G HA2 -0.294 3.668 3.960 0.004 0.000 0.219 221 G HA3 -0.294 3.668 3.960 0.004 0.000 0.219 221 G C 1.863 176.807 174.900 0.073 0.000 1.150 221 G CA 0.949 46.095 45.100 0.077 0.000 0.763 221 G HN 0.488 nan 8.290 nan 0.000 0.561 222 A N 0.334 123.181 122.820 0.045 0.000 1.902 222 A HA -0.096 4.226 4.320 0.004 0.000 0.217 222 A C 2.360 179.958 177.584 0.022 0.000 1.181 222 A CA 1.957 54.013 52.037 0.032 0.000 0.623 222 A CB -0.409 18.602 19.000 0.018 0.000 0.818 222 A HN 0.482 nan 8.150 nan 0.000 0.443 223 Q N -0.744 119.065 119.800 0.014 0.000 2.079 223 Q HA -0.048 4.294 4.340 0.004 0.000 0.200 223 Q C 2.447 178.454 176.000 0.012 0.000 0.974 223 Q CA 1.237 57.043 55.803 0.005 0.000 0.840 223 Q CB -0.357 28.377 28.738 -0.007 0.000 0.898 223 Q HN 0.676 nan 8.270 nan 0.000 0.430 224 A N 1.128 123.963 122.820 0.025 0.000 1.898 224 A HA -0.088 4.234 4.320 0.004 0.000 0.216 224 A C 2.311 179.920 177.584 0.042 0.000 1.181 224 A CA 1.583 53.642 52.037 0.037 0.000 0.620 224 A CB -1.213 17.823 19.000 0.060 0.000 0.819 224 A HN 0.463 nan 8.150 nan 0.000 0.442 225 G N -0.354 108.476 108.800 0.049 0.000 2.446 225 G HA2 -0.033 3.929 3.960 0.004 0.000 0.217 225 G HA3 -0.033 3.929 3.960 0.004 0.000 0.217 225 G C 1.752 176.664 174.900 0.020 0.000 1.168 225 G CA 1.528 46.650 45.100 0.037 0.000 0.771 225 G HN 0.843 nan 8.290 nan 0.000 0.551 226 A N 0.827 123.657 122.820 0.016 0.000 1.978 226 A HA 0.291 4.613 4.320 0.004 0.000 0.220 226 A C 2.544 180.131 177.584 0.005 0.000 1.170 226 A CA 2.134 54.176 52.037 0.007 0.000 0.636 226 A CB -0.444 18.558 19.000 0.004 0.000 0.810 226 A HN 0.884 nan 8.150 nan 0.000 0.448 227 A N -1.379 121.445 122.820 0.008 0.000 2.275 227 A HA 0.517 4.839 4.320 0.004 0.000 0.212 227 A C 0.912 178.502 177.584 0.009 0.000 1.201 227 A CA 0.343 52.383 52.037 0.005 0.000 0.843 227 A CB -0.596 18.405 19.000 0.001 0.000 0.873 227 A HN 0.862 nan 8.150 nan 0.000 0.492 228 L N -1.519 119.712 121.223 0.014 0.000 3.717 228 L HA -0.215 4.127 4.340 0.004 0.000 0.411 228 L C -0.419 176.466 176.870 0.026 0.000 1.233 228 L CA 0.659 55.509 54.840 0.016 0.000 0.917 228 L CB -1.856 40.209 42.059 0.011 0.000 1.902 228 L HN 0.402 nan 8.230 nan 0.000 0.894 229 K N 0.620 121.041 120.400 0.036 0.000 2.292 229 K HA 0.503 4.825 4.320 0.004 0.000 0.257 229 K C 0.010 176.661 176.600 0.085 0.000 0.940 229 K CA -0.885 55.434 56.287 0.053 0.000 0.811 229 K CB 2.531 35.056 32.500 0.040 0.000 1.120 229 K HN -0.002 nan 8.250 nan 0.000 0.428 230 K N 1.910 122.375 120.400 0.109 0.000 2.295 230 K HA 0.183 4.505 4.320 0.004 0.000 0.270 230 K C -0.882 175.851 176.600 0.221 0.000 1.011 230 K CA -0.261 56.110 56.287 0.140 0.000 0.953 230 K CB 0.573 33.141 32.500 0.113 0.000 0.956 230 K HN 0.607 nan 8.250 nan 0.000 0.477 231 C N 2.248 121.707 119.300 0.265 0.000 2.719 231 C HA 0.605 5.067 4.460 0.004 0.000 0.327 231 C C -0.853 174.307 174.990 0.284 0.000 1.238 231 C CA -0.841 58.349 59.018 0.287 0.000 1.727 231 C CB 1.649 29.532 27.740 0.238 0.000 2.256 231 C HN 0.551 nan 8.230 nan 0.000 0.489 232 V N 2.775 122.814 119.914 0.208 0.000 2.531 232 V HA 0.508 4.630 4.120 0.004 0.000 0.301 232 V C -0.716 175.306 176.094 -0.120 0.000 1.034 232 V CA -0.257 62.083 62.300 0.067 0.000 0.865 232 V CB 1.524 33.453 31.823 0.178 0.000 0.995 232 V HN 0.631 nan 8.190 nan 0.000 0.424 233 L N 4.896 125.862 121.223 -0.428 0.000 2.319 233 L HA 0.608 4.950 4.340 0.004 0.000 0.281 233 L C -0.255 176.461 176.870 -0.257 0.000 1.005 233 L CA -0.427 54.172 54.840 -0.402 0.000 0.828 233 L CB 1.754 43.407 42.059 -0.677 0.000 1.227 233 L HN 0.530 nan 8.230 nan 0.000 0.415 234 E N 5.737 125.873 120.200 -0.107 0.000 2.121 234 E HA 0.465 4.817 4.350 0.004 0.000 0.255 234 E C -0.553 176.038 176.600 -0.015 0.000 0.906 234 E CA -0.202 56.182 56.400 -0.026 0.000 0.745 234 E CB 2.052 31.805 29.700 0.088 0.000 1.155 234 E HN 0.522 nan 8.360 nan 0.000 0.424 235 L N 0.008 121.214 121.223 -0.028 0.000 2.793 235 L HA 0.598 4.940 4.340 0.004 0.000 0.242 235 L C 1.241 178.125 176.870 0.024 0.000 1.315 235 L CA -1.215 53.619 54.840 -0.010 0.000 1.263 235 L CB 0.122 42.174 42.059 -0.012 0.000 2.076 235 L HN 0.376 nan 8.230 nan 0.000 0.575 236 G N -1.294 107.532 108.800 0.043 0.000 2.667 236 G HA2 0.459 4.422 3.960 0.004 0.000 0.250 236 G HA3 0.459 4.422 3.960 0.004 0.000 0.250 236 G C -0.404 174.468 174.900 -0.046 0.000 1.212 236 G CA 0.274 45.359 45.100 -0.026 0.000 0.874 236 G HN 0.758 nan 8.290 nan 0.000 0.561 237 G N -2.160 106.476 108.800 -0.273 0.000 2.642 237 G HA2 0.476 4.439 3.960 0.004 0.000 0.293 237 G HA3 0.476 4.439 3.960 0.004 0.000 0.293 237 G C -0.771 173.749 174.900 -0.633 0.000 1.341 237 G CA 0.017 44.922 45.100 -0.326 0.000 0.916 237 G HN 0.995 nan 8.290 nan 0.000 0.474 238 S N 0.412 115.827 115.700 -0.475 0.000 2.235 238 S HA 0.295 4.767 4.470 0.004 0.000 0.152 238 S C -1.011 173.447 174.600 -0.236 0.000 1.649 238 S CA -0.627 57.340 58.200 -0.389 0.000 1.277 238 S CB -0.278 62.690 63.200 -0.387 0.000 1.299 238 S HN 0.451 nan 8.310 nan 0.000 0.388 239 D N 4.756 125.041 120.400 -0.191 0.000 2.458 239 D HA 0.228 4.870 4.640 0.004 0.000 0.243 239 D C -2.126 174.064 176.300 -0.183 0.000 1.146 239 D CA -0.888 53.031 54.000 -0.135 0.000 0.877 239 D CB 0.901 41.657 40.800 -0.072 0.000 1.176 239 D HN 0.327 nan 8.370 nan 0.000 0.461 240 P HA 0.241 nan 4.420 nan 0.000 0.282 240 P C -0.919 176.348 177.300 -0.055 0.000 1.249 240 P CA -0.586 62.429 63.100 -0.142 0.000 0.806 240 P CB 0.582 32.223 31.700 -0.100 0.000 0.984 241 F N 3.518 123.314 119.950 -0.256 0.000 2.610 241 F HA 0.473 5.002 4.527 0.003 0.000 0.355 241 F C -0.816 174.950 175.800 -0.056 0.000 1.140 241 F CA -0.968 56.956 58.000 -0.127 0.000 1.037 241 F CB 0.520 39.389 39.000 -0.218 0.000 1.287 241 F HN 0.096 nan 8.300 nan 0.000 0.457 242 I N 6.423 126.969 120.570 -0.040 0.000 2.331 242 I HA 0.431 4.603 4.170 0.004 0.000 0.292 242 I C -0.828 175.288 176.117 -0.002 0.000 0.998 242 I CA -0.930 60.361 61.300 -0.014 0.000 1.267 242 I CB 1.547 39.519 38.000 -0.045 0.000 1.386 242 I HN 0.208 nan 8.210 nan 0.000 0.476 243 V N 7.470 127.381 119.914 -0.005 0.000 2.407 243 V HA 0.422 4.544 4.120 0.004 0.000 0.291 243 V C 0.084 176.177 176.094 -0.001 0.000 1.018 243 V CA -0.538 61.769 62.300 0.012 0.000 0.842 243 V CB 1.554 33.298 31.823 -0.132 0.000 0.996 243 V HN 0.511 nan 8.190 nan 0.000 0.426 244 L N 3.121 124.370 121.223 0.043 0.000 2.387 244 L HA 0.514 4.856 4.340 0.004 0.000 0.266 244 L C 1.398 178.297 176.870 0.048 0.000 1.059 244 L CA -0.796 54.065 54.840 0.034 0.000 0.801 244 L CB 0.939 43.017 42.059 0.031 0.000 1.223 244 L HN 0.503 nan 8.230 nan 0.000 0.456 245 N N 1.167 119.891 118.700 0.041 0.000 2.258 245 N HA -0.185 4.557 4.740 0.004 0.000 0.187 245 N C 0.780 176.323 175.510 0.055 0.000 1.012 245 N CA 1.338 54.417 53.050 0.047 0.000 0.870 245 N CB -0.314 38.197 38.487 0.039 0.000 0.977 245 N HN 0.639 nan 8.380 nan 0.000 0.434 246 D N -0.752 119.681 120.400 0.055 0.000 2.358 246 D HA 0.176 4.818 4.640 0.004 0.000 0.224 246 D C 0.150 176.499 176.300 0.082 0.000 1.123 246 D CA -0.333 53.702 54.000 0.059 0.000 0.833 246 D CB -0.439 40.387 40.800 0.044 0.000 0.946 246 D HN 0.076 nan 8.370 nan 0.000 0.505 247 A N 0.523 123.408 122.820 0.108 0.000 2.425 247 A HA 0.194 4.516 4.320 0.004 0.000 0.242 247 A C 0.284 177.966 177.584 0.163 0.000 1.077 247 A CA -0.388 51.752 52.037 0.171 0.000 0.781 247 A CB 0.251 19.378 19.000 0.211 0.000 1.020 247 A HN 0.132 nan 8.150 nan 0.000 0.494 248 D N 1.965 122.496 120.400 0.218 0.000 2.398 248 D HA 0.069 4.711 4.640 0.004 0.000 0.250 248 D C 0.902 177.286 176.300 0.140 0.000 1.287 248 D CA -0.264 53.843 54.000 0.178 0.000 0.992 248 D CB 0.117 41.047 40.800 0.217 0.000 1.071 248 D HN 0.358 nan 8.370 nan 0.000 0.514 249 L N 4.168 125.450 121.223 0.097 0.000 2.079 249 L HA -0.123 4.219 4.340 0.004 0.000 0.210 249 L C 2.041 178.927 176.870 0.026 0.000 1.081 249 L CA 1.926 56.810 54.840 0.074 0.000 0.752 249 L CB -0.543 41.568 42.059 0.087 0.000 0.896 249 L HN 0.581 nan 8.230 nan 0.000 0.433 250 E N -0.915 119.304 120.200 0.032 0.000 2.058 250 E HA -0.284 4.068 4.350 0.004 0.000 0.194 250 E C 2.193 178.795 176.600 0.003 0.000 0.997 250 E CA 1.674 58.084 56.400 0.016 0.000 0.801 250 E CB -0.307 29.414 29.700 0.035 0.000 0.746 250 E HN 0.401 nan 8.360 nan 0.000 0.450 251 L N 0.828 122.073 121.223 0.037 0.000 2.056 251 L HA -0.038 4.304 4.340 0.004 0.000 0.207 251 L C 2.300 179.032 176.870 -0.230 0.000 1.078 251 L CA 2.089 56.959 54.840 0.050 0.000 0.749 251 L CB -0.792 41.421 42.059 0.257 0.000 0.901 251 L HN 0.244 nan 8.230 nan 0.000 0.433 252 A N -1.303 121.197 122.820 -0.533 0.000 1.902 252 A HA -0.154 4.168 4.320 0.004 0.000 0.217 252 A C 2.273 179.729 177.584 -0.212 0.000 1.181 252 A CA 2.021 53.471 52.037 -0.979 0.000 0.623 252 A CB -1.035 17.592 19.000 -0.620 0.000 0.818 252 A HN 0.282 nan 8.150 nan 0.000 0.443 253 V N -0.054 119.804 119.914 -0.093 0.000 2.358 253 V HA -0.255 3.867 4.120 0.004 0.000 0.246 253 V C 2.451 178.488 176.094 -0.095 0.000 1.047 253 V CA 2.360 64.601 62.300 -0.098 0.000 1.035 253 V CB -0.654 31.066 31.823 -0.171 0.000 0.658 253 V HN 0.551 nan 8.190 nan 0.000 0.452 254 K N 0.398 120.754 120.400 -0.074 0.000 2.057 254 K HA -0.120 4.202 4.320 0.004 0.000 0.207 254 K C 2.286 178.876 176.600 -0.016 0.000 1.049 254 K CA 1.545 57.830 56.287 -0.003 0.000 0.931 254 K CB -0.457 32.097 32.500 0.090 0.000 0.714 254 K HN 0.464 nan 8.250 nan 0.000 0.440 255 A N 1.289 123.974 122.820 -0.224 0.000 1.930 255 A HA -0.085 4.237 4.320 0.004 0.000 0.217 255 A C 2.325 179.920 177.584 0.018 0.000 1.175 255 A CA 1.751 53.585 52.037 -0.338 0.000 0.627 255 A CB -0.634 18.213 19.000 -0.254 0.000 0.815 255 A HN 0.334 nan 8.150 nan 0.000 0.443 256 A N -0.531 122.212 122.820 -0.127 0.000 1.873 256 A HA 0.037 4.359 4.320 0.004 0.000 0.215 256 A C 2.224 179.872 177.584 0.108 0.000 1.186 256 A CA 1.706 53.529 52.037 -0.357 0.000 0.616 256 A CB -0.895 17.825 19.000 -0.466 0.000 0.823 256 A HN 0.358 nan 8.150 nan 0.000 0.442 257 V N -0.041 119.922 119.914 0.081 0.000 2.295 257 V HA -0.237 3.885 4.120 0.004 0.000 0.246 257 V C 3.074 179.280 176.094 0.187 0.000 1.049 257 V CA 1.964 64.303 62.300 0.066 0.000 1.024 257 V CB -1.304 30.427 31.823 -0.153 0.000 0.648 257 V HN 0.606 nan 8.190 nan 0.000 0.447 258 A N 0.564 123.486 122.820 0.170 0.000 1.908 258 A HA -0.118 4.205 4.320 0.004 0.000 0.218 258 A C 2.417 180.116 177.584 0.190 0.000 1.181 258 A CA 2.064 54.227 52.037 0.211 0.000 0.627 258 A CB -1.273 17.933 19.000 0.343 0.000 0.818 258 A HN 0.539 nan 8.150 nan 0.000 0.445 259 G N -0.650 108.266 108.800 0.193 0.000 2.418 259 G HA2 -0.224 3.738 3.960 0.004 0.000 0.217 259 G HA3 -0.224 3.738 3.960 0.004 0.000 0.217 259 G C 1.723 176.673 174.900 0.084 0.000 1.158 259 G CA 1.286 46.481 45.100 0.159 0.000 0.771 259 G HN 0.552 nan 8.290 nan 0.000 0.545 260 R N -0.570 119.979 120.500 0.081 0.000 2.075 260 R HA 0.084 4.426 4.340 0.004 0.000 0.226 260 R C 1.755 177.878 176.300 -0.295 0.000 1.114 260 R CA 1.003 57.026 56.100 -0.129 0.000 0.972 260 R CB -0.567 29.631 30.300 -0.171 0.000 0.869 260 R HN 0.414 nan 8.270 nan 0.000 0.437 261 Y N 1.489 121.834 120.300 0.076 0.000 2.462 261 Y HA 0.205 4.757 4.550 0.003 0.000 0.261 261 Y C 0.102 176.003 175.900 0.002 0.000 1.146 261 Y CA -0.300 57.812 58.100 0.020 0.000 1.283 261 Y CB -0.230 38.220 38.460 -0.018 0.000 1.090 261 Y HN 0.184 nan 8.280 nan 0.000 0.526 262 Q N 0.584 120.452 119.800 0.114 0.000 2.333 262 Q HA -0.092 4.250 4.340 0.004 0.000 0.299 262 Q C 0.220 176.233 176.000 0.022 0.000 1.067 262 Q CA 0.312 56.159 55.803 0.074 0.000 0.943 262 Q CB 0.123 28.911 28.738 0.082 0.000 1.233 262 Q HN 0.256 nan 8.270 nan 0.000 0.401 263 N N 0.782 119.477 118.700 -0.008 0.000 2.727 263 N HA -0.215 4.528 4.740 0.004 0.000 0.249 263 N C -0.993 174.475 175.510 -0.070 0.000 1.048 263 N CA 1.366 54.364 53.050 -0.087 0.000 0.714 263 N CB -1.557 36.795 38.487 -0.225 0.000 0.959 263 N HN 0.894 nan 8.380 nan 0.000 0.544 264 T N -1.798 112.754 114.554 -0.003 0.000 3.996 264 T HA -0.123 4.229 4.350 0.004 0.000 0.348 264 T C 1.352 176.048 174.700 -0.007 0.000 0.757 264 T CA 1.860 63.980 62.100 0.033 0.000 1.898 264 T CB -1.956 66.918 68.868 0.009 0.000 1.861 264 T HN 1.619 nan 8.240 nan 0.000 0.821 265 G N 0.163 108.933 108.800 -0.051 0.000 2.179 265 G HA2 -0.328 3.634 3.960 0.004 0.000 0.260 265 G HA3 -0.328 3.634 3.960 0.004 0.000 0.260 265 G C 0.030 174.684 174.900 -0.409 0.000 0.977 265 G CA 0.455 45.454 45.100 -0.169 0.000 0.641 265 G HN 0.712 nan 8.290 nan 0.000 0.533 266 Q N 0.335 119.852 119.800 -0.472 0.000 3.207 266 Q HA 0.524 4.866 4.340 0.004 0.000 0.335 266 Q C -0.407 175.108 176.000 -0.808 0.000 1.374 266 Q CA -0.137 55.053 55.803 -1.023 0.000 1.023 266 Q CB 1.194 29.719 28.738 -0.355 0.000 1.576 266 Q HN 0.287 nan 8.270 nan 0.000 0.515 267 V N -0.278 119.274 119.914 -0.602 0.000 2.638 267 V HA 0.077 4.199 4.120 0.004 0.000 0.306 267 V C 0.712 176.894 176.094 0.147 0.000 1.052 267 V CA -0.765 61.534 62.300 -0.002 0.000 0.885 267 V CB 1.689 33.581 31.823 0.115 0.000 0.999 267 V HN 0.671 nan 8.190 nan 0.000 0.424 268 C N 2.940 122.458 119.300 0.363 0.000 2.413 268 C HA -0.082 4.380 4.460 0.004 0.000 0.276 268 C C 2.238 177.323 174.990 0.158 0.000 1.248 268 C CA 1.389 60.590 59.018 0.306 0.000 1.742 268 C CB -0.725 27.166 27.740 0.252 0.000 2.017 268 C HN 0.990 nan 8.230 nan 0.000 0.481 269 A N 0.205 123.140 122.820 0.192 0.000 2.476 269 A HA 0.604 4.927 4.320 0.004 0.000 0.263 269 A C 0.856 178.479 177.584 0.065 0.000 1.342 269 A CA 0.476 52.594 52.037 0.134 0.000 0.926 269 A CB -0.602 18.552 19.000 0.256 0.000 1.019 269 A HN 0.525 nan 8.150 nan 0.000 0.515 270 A N 0.041 122.876 122.820 0.023 0.000 2.425 270 A HA 0.555 4.877 4.320 0.004 0.000 0.242 270 A C 0.826 178.372 177.584 -0.063 0.000 1.077 270 A CA 0.261 52.283 52.037 -0.024 0.000 0.781 270 A CB 0.014 18.962 19.000 -0.088 0.000 1.020 270 A HN 1.426 nan 8.150 nan 0.000 0.494 271 A N 1.316 124.100 122.820 -0.060 0.000 2.396 271 A HA 0.435 4.757 4.320 0.004 0.000 0.279 271 A C 0.812 178.155 177.584 -0.401 0.000 1.165 271 A CA -0.114 51.805 52.037 -0.196 0.000 0.824 271 A CB -0.005 18.930 19.000 -0.108 0.000 1.100 271 A HN 0.852 nan 8.150 nan 0.000 0.516 272 K N 1.686 121.815 120.400 -0.452 0.000 2.424 272 K HA 0.113 4.435 4.320 0.004 0.000 0.198 272 K C 0.075 176.417 176.600 -0.430 0.000 1.190 272 K CA 0.387 56.455 56.287 -0.366 0.000 0.935 272 K CB 0.679 33.031 32.500 -0.247 0.000 1.087 272 K HN 0.657 nan 8.250 nan 0.000 0.524 273 R N 1.199 121.379 120.500 -0.534 0.000 2.371 273 R HA 0.286 4.629 4.340 0.004 0.000 0.312 273 R C -1.296 174.733 176.300 -0.452 0.000 0.980 273 R CA -0.468 55.395 56.100 -0.395 0.000 0.867 273 R CB 0.681 30.738 30.300 -0.405 0.000 1.163 273 R HN -0.123 nan 8.270 nan 0.000 0.492 274 F N 3.907 123.812 119.950 -0.074 0.000 2.424 274 F HA 0.341 4.870 4.527 0.003 0.000 0.356 274 F C 0.625 176.374 175.800 -0.085 0.000 1.110 274 F CA -0.407 57.523 58.000 -0.117 0.000 1.161 274 F CB 0.709 39.552 39.000 -0.263 0.000 1.115 274 F HN 0.263 nan 8.300 nan 0.000 0.507 275 I N 5.342 125.937 120.570 0.041 0.000 2.405 275 I HA 0.334 4.506 4.170 0.004 0.000 0.280 275 I C -0.902 175.180 176.117 -0.058 0.000 1.027 275 I CA -0.884 60.420 61.300 0.006 0.000 1.161 275 I CB 1.083 39.089 38.000 0.010 0.000 1.300 275 I HN 0.299 nan 8.210 nan 0.000 0.463 276 V N 1.908 121.768 119.914 -0.090 0.000 2.555 276 V HA 0.510 4.633 4.120 0.004 0.000 0.302 276 V C -0.073 175.994 176.094 -0.046 0.000 1.038 276 V CA -0.827 61.392 62.300 -0.134 0.000 0.887 276 V CB 1.729 33.402 31.823 -0.249 0.000 0.991 276 V HN 0.731 nan 8.190 nan 0.000 0.434 277 E N 2.260 122.445 120.200 -0.025 0.000 2.384 277 E HA 0.037 4.389 4.350 0.004 0.000 0.266 277 E C 1.183 177.799 176.600 0.026 0.000 1.012 277 E CA 0.431 56.839 56.400 0.013 0.000 0.901 277 E CB 1.157 30.870 29.700 0.021 0.000 0.967 277 E HN 1.012 nan 8.360 nan 0.000 0.435 278 E N 3.559 123.784 120.200 0.041 0.000 2.147 278 E HA -0.227 4.125 4.350 0.004 0.000 0.199 278 E C 1.586 178.211 176.600 0.042 0.000 1.005 278 E CA 1.830 58.256 56.400 0.044 0.000 0.810 278 E CB -0.530 29.198 29.700 0.047 0.000 0.736 278 E HN 0.637 nan 8.360 nan 0.000 0.460 279 G N 0.394 109.218 108.800 0.040 0.000 2.432 279 G HA2 -0.183 3.779 3.960 0.004 0.000 0.219 279 G HA3 -0.183 3.779 3.960 0.004 0.000 0.219 279 G C 1.561 176.490 174.900 0.049 0.000 1.135 279 G CA 0.850 45.974 45.100 0.040 0.000 0.767 279 G HN 0.407 nan 8.290 nan 0.000 0.550 280 I N -0.034 120.569 120.570 0.055 0.000 4.082 280 I HA 0.361 4.533 4.170 0.004 0.000 0.337 280 I C 2.544 178.725 176.117 0.106 0.000 1.352 280 I CA 0.441 61.787 61.300 0.077 0.000 1.097 280 I CB 0.332 38.379 38.000 0.078 0.000 1.048 280 I HN 0.160 nan 8.210 nan 0.000 0.393 281 A N 0.663 123.533 122.820 0.082 0.000 1.892 281 A HA -0.315 4.008 4.320 0.004 0.000 0.218 281 A C 2.138 179.807 177.584 0.142 0.000 1.188 281 A CA 2.246 54.345 52.037 0.102 0.000 0.631 281 A CB -0.549 18.492 19.000 0.069 0.000 0.822 281 A HN 0.505 nan 8.150 nan 0.000 0.447 282 Q N -0.507 119.352 119.800 0.099 0.000 2.079 282 Q HA 0.026 4.368 4.340 0.004 0.000 0.200 282 Q C 2.123 178.174 176.000 0.084 0.000 0.974 282 Q CA 2.117 57.969 55.803 0.083 0.000 0.840 282 Q CB -0.653 28.118 28.738 0.056 0.000 0.898 282 Q HN 0.565 nan 8.270 nan 0.000 0.430 283 A N -0.318 122.556 122.820 0.090 0.000 1.877 283 A HA -0.169 4.153 4.320 0.004 0.000 0.216 283 A C 2.040 179.676 177.584 0.087 0.000 1.186 283 A CA 1.500 53.582 52.037 0.075 0.000 0.620 283 A CB -1.076 17.970 19.000 0.077 0.000 0.822 283 A HN 0.564 nan 8.150 nan 0.000 0.443 284 F N 1.236 121.187 119.950 0.002 0.000 2.102 284 F HA -0.161 4.368 4.527 0.003 0.000 0.298 284 F C 2.477 178.275 175.800 -0.004 0.000 1.105 284 F CA 2.384 60.376 58.000 -0.012 0.000 1.239 284 F CB -0.691 38.292 39.000 -0.028 0.000 0.991 284 F HN 0.200 nan 8.300 nan 0.000 0.474 285 T N 0.262 114.888 114.554 0.120 0.000 2.684 285 T HA -0.201 4.151 4.350 0.004 0.000 0.267 285 T C 1.416 176.093 174.700 -0.037 0.000 1.036 285 T CA 1.752 63.875 62.100 0.039 0.000 1.148 285 T CB -0.459 68.479 68.868 0.116 0.000 0.863 285 T HN 0.266 nan 8.240 nan 0.000 0.436 286 D N 0.786 121.171 120.400 -0.025 0.000 2.104 286 D HA -0.041 4.601 4.640 0.004 0.000 0.194 286 D C 2.423 178.669 176.300 -0.090 0.000 0.994 286 D CA 1.060 55.036 54.000 -0.039 0.000 0.830 286 D CB -0.213 40.575 40.800 -0.020 0.000 0.959 286 D HN 0.310 nan 8.370 nan 0.000 0.452 287 R N -0.727 119.693 120.500 -0.134 0.000 2.092 287 R HA -0.038 4.304 4.340 0.004 0.000 0.231 287 R C 2.236 178.389 176.300 -0.245 0.000 1.119 287 R CA 0.594 56.589 56.100 -0.174 0.000 0.970 287 R CB -0.382 29.816 30.300 -0.169 0.000 0.864 287 R HN 0.176 nan 8.270 nan 0.000 0.440 288 F N 0.766 120.396 119.950 -0.533 0.000 2.113 288 F HA -0.172 4.356 4.527 0.003 0.000 0.297 288 F C 1.986 177.592 175.800 -0.322 0.000 1.103 288 F CA 1.181 58.837 58.000 -0.574 0.000 1.248 288 F CB -0.136 38.287 39.000 -0.961 0.000 0.999 288 F HN -0.277 nan 8.300 nan 0.000 0.475 289 V N 0.550 120.419 119.914 -0.075 0.000 2.343 289 V HA -0.329 3.793 4.120 0.004 0.000 0.247 289 V C 2.715 178.702 176.094 -0.178 0.000 1.051 289 V CA 1.844 64.094 62.300 -0.083 0.000 1.036 289 V CB -1.530 30.293 31.823 0.000 0.000 0.654 289 V HN 0.484 nan 8.190 nan 0.000 0.451 290 A N -0.141 122.578 122.820 -0.168 0.000 1.902 290 A HA -0.099 4.223 4.320 0.004 0.000 0.217 290 A C 2.410 179.863 177.584 -0.217 0.000 1.181 290 A CA 2.074 54.014 52.037 -0.162 0.000 0.623 290 A CB -0.734 18.190 19.000 -0.127 0.000 0.818 290 A HN 0.571 nan 8.150 nan 0.000 0.443 291 A N -0.211 122.435 122.820 -0.289 0.000 1.898 291 A HA 0.211 4.533 4.320 0.004 0.000 0.216 291 A C 2.493 179.833 177.584 -0.406 0.000 1.181 291 A CA 1.936 53.779 52.037 -0.324 0.000 0.620 291 A CB -0.962 17.824 19.000 -0.356 0.000 0.819 291 A HN 1.021 nan 8.150 nan 0.000 0.442 292 A N -0.101 122.391 122.820 -0.548 0.000 1.902 292 A HA 0.183 4.505 4.320 0.004 0.000 0.217 292 A C 2.457 179.783 177.584 -0.430 0.000 1.181 292 A CA 1.936 53.591 52.037 -0.636 0.000 0.623 292 A CB -0.939 17.667 19.000 -0.657 0.000 0.818 292 A HN 1.057 nan 8.150 nan 0.000 0.443 293 A N -0.398 122.245 122.820 -0.295 0.000 2.019 293 A HA 0.229 4.551 4.320 0.004 0.000 0.219 293 A C 2.275 179.745 177.584 -0.189 0.000 1.164 293 A CA 1.749 53.663 52.037 -0.205 0.000 0.644 293 A CB -0.662 18.249 19.000 -0.148 0.000 0.805 293 A HN 1.036 nan 8.150 nan 0.000 0.449 294 A N -0.775 121.924 122.820 -0.202 0.000 2.169 294 A HA 0.398 4.721 4.320 0.004 0.000 0.212 294 A C 0.885 178.367 177.584 -0.170 0.000 1.153 294 A CA -0.184 51.754 52.037 -0.165 0.000 0.756 294 A CB -0.345 18.565 19.000 -0.149 0.000 0.813 294 A HN 0.429 nan 8.150 nan 0.000 0.471 295 L N 1.175 122.265 121.223 -0.222 0.000 2.453 295 L HA 0.117 4.459 4.340 0.004 0.000 0.272 295 L C 0.336 177.112 176.870 -0.157 0.000 1.182 295 L CA -0.250 54.466 54.840 -0.205 0.000 0.858 295 L CB 0.438 42.317 42.059 -0.300 0.000 1.120 295 L HN 0.168 nan 8.230 nan 0.000 0.474 299 D N 1.549 121.980 120.400 0.051 0.000 2.520 299 D HA 0.135 4.777 4.640 0.004 0.000 0.243 299 D C -0.828 175.519 176.300 0.078 0.000 1.160 299 D CA -1.088 52.974 54.000 0.104 0.000 0.877 299 D CB 1.563 42.387 40.800 0.040 0.000 1.150 299 D HN 0.052 nan 8.370 nan 0.000 0.494 300 P HA -0.042 nan 4.420 nan 0.000 0.237 300 P C 1.440 178.750 177.300 0.017 0.000 1.178 300 P CA 0.400 63.522 63.100 0.036 0.000 0.766 300 P CB 0.259 31.966 31.700 0.012 0.000 0.876 301 L N -0.979 120.255 121.223 0.018 0.000 2.492 301 L HA 0.058 4.400 4.340 0.004 0.000 0.223 301 L C 0.798 177.671 176.870 0.005 0.000 1.132 301 L CA 0.217 55.062 54.840 0.009 0.000 0.850 301 L CB -0.121 41.944 42.059 0.009 0.000 0.966 301 L HN -0.236 nan 8.230 nan 0.000 0.454 302 V N 0.650 120.567 119.914 0.005 0.000 2.368 302 V HA 0.047 4.169 4.120 0.004 0.000 0.266 302 V C 1.127 177.218 176.094 -0.006 0.000 1.045 302 V CA -0.181 62.117 62.300 -0.003 0.000 0.899 302 V CB 1.166 32.984 31.823 -0.008 0.000 1.006 302 V HN 0.273 nan 8.190 nan 0.000 0.470 303 E N 2.649 122.844 120.200 -0.008 0.000 2.160 303 E HA -0.235 4.118 4.350 0.004 0.000 0.195 303 E C 1.345 177.937 176.600 -0.015 0.000 0.991 303 E CA 1.259 57.653 56.400 -0.010 0.000 0.810 303 E CB 0.215 29.909 29.700 -0.011 0.000 0.742 303 E HN 0.758 nan 8.360 nan 0.000 0.466 304 E N 0.592 120.781 120.200 -0.018 0.000 2.418 304 E HA -0.015 4.338 4.350 0.004 0.000 0.197 304 E C -0.104 176.479 176.600 -0.029 0.000 1.026 304 E CA 0.198 56.583 56.400 -0.025 0.000 0.862 304 E CB 0.061 29.744 29.700 -0.028 0.000 0.799 304 E HN 0.101 nan 8.360 nan 0.000 0.518 305 N N 1.445 120.132 118.700 -0.022 0.000 2.458 305 N HA 0.002 4.744 4.740 0.004 0.000 0.270 305 N C 0.021 175.521 175.510 -0.017 0.000 1.102 305 N CA 0.078 53.115 53.050 -0.021 0.000 0.967 305 N CB 1.065 39.549 38.487 -0.006 0.000 1.078 305 N HN 0.027 nan 8.380 nan 0.000 0.471 306 D N 1.324 121.707 120.400 -0.029 0.000 2.249 306 D HA 0.062 4.704 4.640 0.004 0.000 0.205 306 D C 0.230 176.525 176.300 -0.007 0.000 0.962 306 D CA 0.873 54.857 54.000 -0.026 0.000 0.860 306 D CB 0.814 41.581 40.800 -0.055 0.000 0.955 306 D HN 0.370 nan 8.370 nan 0.000 0.505 307 L N 0.122 121.346 121.223 0.002 0.000 2.386 307 L HA 0.528 4.870 4.340 0.004 0.000 0.271 307 L C 0.668 177.586 176.870 0.079 0.000 0.993 307 L CA -0.836 54.024 54.840 0.035 0.000 0.819 307 L CB 2.542 44.618 42.059 0.028 0.000 1.294 307 L HN -0.168 nan 8.230 nan 0.000 0.414 308 G N 1.713 110.553 108.800 0.066 0.000 2.671 308 G HA2 0.710 4.672 3.960 0.004 0.000 0.275 308 G HA3 0.710 4.672 3.960 0.004 0.000 0.275 308 G C -2.749 172.135 174.900 -0.027 0.000 1.368 308 G CA -1.079 44.068 45.100 0.078 0.000 1.044 308 G HN 0.339 nan 8.290 nan 0.000 0.543 312 R N -0.775 119.370 120.500 -0.592 0.000 2.561 312 R HA 0.587 4.930 4.340 0.004 0.000 0.297 312 R C -0.164 175.984 176.300 -0.254 0.000 0.969 312 R CA -0.731 55.144 56.100 -0.375 0.000 0.879 312 R CB 0.998 31.113 30.300 -0.308 0.000 1.178 312 R HN 0.225 nan 8.270 nan 0.000 0.445 313 F N 1.561 121.441 119.950 -0.116 0.000 2.134 313 F HA -0.256 4.274 4.527 0.004 0.000 0.299 313 F C 2.286 178.072 175.800 -0.024 0.000 1.097 313 F CA 1.893 59.857 58.000 -0.059 0.000 1.264 313 F CB -0.015 38.956 39.000 -0.047 0.000 1.001 313 F HN 0.641 nan 8.300 nan 0.000 0.479 314 D N 0.379 120.876 120.400 0.163 0.000 2.178 314 D HA -0.189 4.453 4.640 0.004 0.000 0.201 314 D C 1.936 178.285 176.300 0.081 0.000 0.980 314 D CA 1.348 55.414 54.000 0.110 0.000 0.842 314 D CB -1.034 39.821 40.800 0.092 0.000 0.948 314 D HN 0.314 nan 8.370 nan 0.000 0.472 315 L N -0.444 120.812 121.223 0.055 0.000 2.156 315 L HA 0.021 4.364 4.340 0.004 0.000 0.208 315 L C 2.919 179.806 176.870 0.028 0.000 1.095 315 L CA 0.692 55.571 54.840 0.065 0.000 0.770 315 L CB -0.414 41.713 42.059 0.114 0.000 0.914 315 L HN 0.023 nan 8.230 nan 0.000 0.439 316 R N 0.330 120.824 120.500 -0.010 0.000 2.092 316 R HA -0.164 4.178 4.340 0.004 0.000 0.231 316 R C 1.779 178.096 176.300 0.028 0.000 1.119 316 R CA 1.591 57.671 56.100 -0.033 0.000 0.970 316 R CB -0.067 30.223 30.300 -0.017 0.000 0.864 316 R HN 0.321 nan 8.270 nan 0.000 0.440 317 D N 0.302 120.755 120.400 0.088 0.000 2.117 317 D HA -0.193 4.449 4.640 0.004 0.000 0.198 317 D C 1.647 178.014 176.300 0.112 0.000 0.982 317 D CA 1.184 55.263 54.000 0.131 0.000 0.828 317 D CB -0.088 40.790 40.800 0.129 0.000 0.967 317 D HN 0.452 nan 8.370 nan 0.000 0.464 318 E N 0.292 120.536 120.200 0.074 0.000 2.077 318 E HA -0.178 4.174 4.350 0.004 0.000 0.193 318 E C 2.221 178.841 176.600 0.032 0.000 0.989 318 E CA 0.485 56.920 56.400 0.059 0.000 0.800 318 E CB -0.062 29.675 29.700 0.060 0.000 0.746 318 E HN 0.067 nan 8.360 nan 0.000 0.452 319 L N 0.658 121.874 121.223 -0.012 0.000 2.046 319 L HA -0.187 4.156 4.340 0.004 0.000 0.208 319 L C 2.394 179.202 176.870 -0.103 0.000 1.077 319 L CA 2.293 57.075 54.840 -0.097 0.000 0.747 319 L CB -0.671 41.243 42.059 -0.242 0.000 0.896 319 L HN 0.263 nan 8.230 nan 0.000 0.432 320 H N -0.727 118.242 119.070 -0.168 0.000 2.353 320 H HA -0.146 4.412 4.556 0.003 0.000 0.300 320 H C 2.208 177.578 175.328 0.070 0.000 1.090 320 H CA 2.124 58.186 56.048 0.024 0.000 1.327 320 H CB 0.026 29.908 29.762 0.201 0.000 1.383 320 H HN 0.498 nan 8.280 nan 0.000 0.508 321 Q N -0.203 119.605 119.800 0.013 0.000 2.124 321 Q HA -0.190 4.153 4.340 0.004 0.000 0.202 321 Q C 2.310 178.291 176.000 -0.033 0.000 0.977 321 Q CA 1.584 57.368 55.803 -0.033 0.000 0.850 321 Q CB -0.011 28.743 28.738 0.027 0.000 0.901 321 Q HN 0.683 nan 8.270 nan 0.000 0.429 322 Q N -0.237 119.558 119.800 -0.008 0.000 2.124 322 Q HA -0.130 4.212 4.340 0.004 0.000 0.202 322 Q C 2.208 178.213 176.000 0.009 0.000 0.977 322 Q CA 1.349 57.158 55.803 0.010 0.000 0.850 322 Q CB 0.016 28.767 28.738 0.022 0.000 0.901 322 Q HN 0.197 nan 8.270 nan 0.000 0.429 323 V N 1.043 120.956 119.914 -0.002 0.000 2.358 323 V HA -0.282 3.840 4.120 0.004 0.000 0.246 323 V C 2.153 178.234 176.094 -0.021 0.000 1.047 323 V CA 1.816 64.135 62.300 0.031 0.000 1.035 323 V CB -0.546 31.355 31.823 0.131 0.000 0.658 323 V HN 0.375 nan 8.190 nan 0.000 0.452 324 Q N -0.210 119.515 119.800 -0.125 0.000 2.061 324 Q HA -0.203 4.140 4.340 0.004 0.000 0.204 324 Q C 2.452 178.430 176.000 -0.036 0.000 0.984 324 Q CA 1.898 57.629 55.803 -0.119 0.000 0.846 324 Q CB -0.432 28.191 28.738 -0.193 0.000 0.902 324 Q HN 0.672 nan 8.270 nan 0.000 0.421 325 A N 0.473 123.281 122.820 -0.020 0.000 1.902 325 A HA -0.197 4.125 4.320 0.004 0.000 0.217 325 A C 2.283 179.881 177.584 0.023 0.000 1.181 325 A CA 1.800 53.842 52.037 0.008 0.000 0.623 325 A CB -0.577 18.434 19.000 0.018 0.000 0.818 325 A HN 0.269 nan 8.150 nan 0.000 0.443 326 S N -0.378 115.341 115.700 0.032 0.000 2.356 326 S HA -0.145 4.327 4.470 0.004 0.000 0.223 326 S C 1.903 176.530 174.600 0.045 0.000 1.032 326 S CA 1.505 59.735 58.200 0.050 0.000 1.005 326 S CB -0.564 62.676 63.200 0.067 0.000 0.867 326 S HN 0.350 nan 8.310 nan 0.000 0.449 327 V N 2.128 122.066 119.914 0.039 0.000 2.343 327 V HA -0.212 3.910 4.120 0.004 0.000 0.247 327 V C 2.655 178.766 176.094 0.029 0.000 1.051 327 V CA 1.678 64.000 62.300 0.037 0.000 1.036 327 V CB -1.268 30.577 31.823 0.037 0.000 0.654 327 V HN 0.548 nan 8.190 nan 0.000 0.451 328 A N -0.208 122.625 122.820 0.022 0.000 1.940 328 A HA -0.256 4.066 4.320 0.004 0.000 0.219 328 A C 2.106 179.704 177.584 0.023 0.000 1.176 328 A CA 1.940 53.989 52.037 0.020 0.000 0.631 328 A CB -0.467 18.543 19.000 0.016 0.000 0.814 328 A HN 0.640 nan 8.150 nan 0.000 0.446 329 E N -1.947 118.269 120.200 0.026 0.000 2.418 329 E HA 0.225 4.577 4.350 0.004 0.000 0.197 329 E C 1.161 177.776 176.600 0.026 0.000 1.026 329 E CA 0.470 56.886 56.400 0.027 0.000 0.862 329 E CB -0.030 29.689 29.700 0.033 0.000 0.799 329 E HN 0.753 nan 8.360 nan 0.000 0.518 330 G N 0.185 109.002 108.800 0.029 0.000 2.227 330 G HA2 -0.154 3.808 3.960 0.004 0.000 0.168 330 G HA3 -0.154 3.808 3.960 0.004 0.000 0.168 330 G C 0.289 175.210 174.900 0.035 0.000 1.006 330 G CA -0.283 44.834 45.100 0.028 0.000 0.684 330 G HN 0.411 nan 8.290 nan 0.000 0.489 331 A N 0.263 123.110 122.820 0.044 0.000 2.445 331 A HA 0.665 4.987 4.320 0.004 0.000 0.242 331 A C 0.680 178.297 177.584 0.055 0.000 1.075 331 A CA 0.456 52.526 52.037 0.055 0.000 0.777 331 A CB 0.290 19.333 19.000 0.071 0.000 1.013 331 A HN 0.607 nan 8.150 nan 0.000 0.493 332 R N 1.748 122.283 120.500 0.059 0.000 2.207 332 R HA 0.383 4.725 4.340 0.004 0.000 0.334 332 R C -1.145 175.196 176.300 0.069 0.000 1.013 332 R CA -0.671 55.463 56.100 0.057 0.000 0.858 332 R CB 0.458 30.789 30.300 0.052 0.000 1.094 332 R HN 0.615 nan 8.270 nan 0.000 0.457 333 L N 6.621 127.884 121.223 0.066 0.000 2.407 333 L HA 0.135 4.477 4.340 0.004 0.000 0.282 333 L C 0.301 177.212 176.870 0.068 0.000 1.110 333 L CA 0.488 55.374 54.840 0.077 0.000 0.863 333 L CB 0.753 42.856 42.059 0.075 0.000 1.207 333 L HN 0.828 nan 8.230 nan 0.000 0.454 334 L N 5.025 126.295 121.223 0.078 0.000 2.416 334 L HA 0.230 4.572 4.340 0.004 0.000 0.216 334 L C -0.181 176.720 176.870 0.052 0.000 1.098 334 L CA 0.138 55.017 54.840 0.064 0.000 0.840 334 L CB 0.104 42.209 42.059 0.076 0.000 0.981 334 L HN 0.525 nan 8.230 nan 0.000 0.462 335 L N -1.206 120.056 121.223 0.065 0.000 2.591 335 L HA 0.634 4.976 4.340 0.004 0.000 0.257 335 L C 0.073 176.976 176.870 0.055 0.000 0.935 335 L CA 0.395 55.259 54.840 0.040 0.000 0.873 335 L CB 1.533 43.608 42.059 0.028 0.000 1.397 335 L HN 0.132 nan 8.230 nan 0.000 0.414 336 G N 2.820 111.629 108.800 0.015 0.000 2.556 336 G HA2 0.225 4.187 3.960 0.004 0.000 0.283 336 G HA3 0.225 4.187 3.960 0.004 0.000 0.283 336 G C 0.895 175.806 174.900 0.019 0.000 1.177 336 G CA 0.662 45.760 45.100 -0.003 0.000 0.978 336 G HN 2.482 nan 8.290 nan 0.000 0.554 337 G N -0.528 108.306 108.800 0.056 0.000 2.160 337 G HA2 0.222 4.184 3.960 0.004 0.000 0.244 337 G HA3 0.222 4.184 3.960 0.004 0.000 0.244 337 G C 0.088 175.047 174.900 0.098 0.000 1.022 337 G CA 1.751 46.960 45.100 0.181 0.000 0.741 337 G HN 2.116 nan 8.290 nan 0.000 0.508 338 E N -0.548 119.442 120.200 -0.351 0.000 2.331 338 E HA 0.605 4.957 4.350 0.004 0.000 0.275 338 E C -0.504 175.619 176.600 -0.796 0.000 0.895 338 E CA -1.273 54.894 56.400 -0.387 0.000 0.753 338 E CB 1.639 31.220 29.700 -0.198 0.000 1.216 338 E HN 0.177 nan 8.360 nan 0.000 0.434 339 K N 1.676 121.765 120.400 -0.518 0.000 2.237 339 K HA 0.297 4.620 4.320 0.004 0.000 0.270 339 K C 0.020 176.515 176.600 -0.175 0.000 1.015 339 K CA -0.634 55.492 56.287 -0.267 0.000 0.949 339 K CB 0.708 33.146 32.500 -0.104 0.000 0.976 339 K HN 0.389 nan 8.250 nan 0.000 0.472 340 I N 2.334 122.862 120.570 -0.070 0.000 2.365 340 I HA 0.132 4.304 4.170 0.004 0.000 0.291 340 I C 0.732 176.855 176.117 0.011 0.000 1.004 340 I CA -0.630 60.646 61.300 -0.039 0.000 1.311 340 I CB 0.689 38.681 38.000 -0.012 0.000 1.401 340 I HN 0.687 nan 8.210 nan 0.000 0.491 341 A N 4.535 127.347 122.820 -0.013 0.000 2.483 341 A HA 0.597 4.919 4.320 0.004 0.000 0.238 341 A C 0.740 178.343 177.584 0.031 0.000 1.070 341 A CA 0.794 52.836 52.037 0.008 0.000 0.770 341 A CB -0.017 18.977 19.000 -0.011 0.000 1.008 341 A HN 1.256 nan 8.150 nan 0.000 0.497 342 G N 0.515 109.348 108.800 0.054 0.000 2.347 342 G HA2 0.108 4.070 3.960 0.004 0.000 0.341 342 G HA3 0.108 4.070 3.960 0.004 0.000 0.341 342 G C 0.036 175.005 174.900 0.115 0.000 1.287 342 G CA 0.030 45.172 45.100 0.070 0.000 0.984 342 G HN 0.540 nan 8.290 nan 0.000 0.526 343 E N -0.208 120.062 120.200 0.118 0.000 2.285 343 E HA 0.092 4.444 4.350 0.004 0.000 0.194 343 E C 1.724 178.475 176.600 0.251 0.000 0.997 343 E CA 0.911 57.392 56.400 0.135 0.000 0.845 343 E CB 0.042 29.796 29.700 0.089 0.000 0.782 343 E HN 0.767 nan 8.360 nan 0.000 0.491 344 G N 1.287 110.250 108.800 0.272 0.000 2.588 344 G HA2 0.048 4.010 3.960 0.004 0.000 0.281 344 G HA3 0.048 4.010 3.960 0.004 0.000 0.281 344 G C 0.075 175.050 174.900 0.124 0.000 1.236 344 G CA -0.433 44.809 45.100 0.237 0.000 0.969 344 G HN 0.030 nan 8.290 nan 0.000 0.504 345 N N -0.950 117.528 118.700 -0.369 0.000 2.761 345 N HA 0.220 4.962 4.740 0.004 0.000 0.317 345 N C -1.298 173.971 175.510 -0.400 0.000 1.546 345 N CA -0.468 52.239 53.050 -0.571 0.000 1.015 345 N CB -0.230 37.498 38.487 -1.265 0.000 1.343 345 N HN 0.370 nan 8.380 nan 0.000 0.504 346 Y N 0.312 120.573 120.300 -0.066 0.000 2.310 346 Y HA 0.323 4.875 4.550 0.003 0.000 0.326 346 Y C -0.446 175.481 175.900 0.046 0.000 1.151 346 Y CA -0.443 57.645 58.100 -0.020 0.000 1.195 346 Y CB 0.795 39.234 38.460 -0.035 0.000 1.210 346 Y HN 0.145 nan 8.280 nan 0.000 0.483 347 Y N 1.705 122.061 120.300 0.093 0.000 2.391 347 Y HA 0.673 5.225 4.550 0.003 0.000 0.341 347 Y C -0.238 175.709 175.900 0.078 0.000 0.965 347 Y CA -1.440 56.698 58.100 0.064 0.000 1.067 347 Y CB 1.112 39.600 38.460 0.047 0.000 1.199 347 Y HN 0.767 nan 8.280 nan 0.000 0.450 348 A N 3.999 126.638 122.820 -0.301 0.000 2.498 348 A HA 0.503 4.825 4.320 0.004 0.000 0.239 348 A C 0.158 177.772 177.584 0.050 0.000 1.068 348 A CA 0.092 52.051 52.037 -0.131 0.000 0.766 348 A CB -0.410 18.464 19.000 -0.211 0.000 1.003 348 A HN 1.115 nan 8.150 nan 0.000 0.497 349 A N 2.783 125.623 122.820 0.033 0.000 2.548 349 A HA 0.486 4.809 4.320 0.004 0.000 0.247 349 A C 0.616 178.272 177.584 0.120 0.000 1.067 349 A CA 0.738 52.814 52.037 0.066 0.000 0.757 349 A CB -0.404 18.443 19.000 -0.254 0.000 0.996 349 A HN 0.903 nan 8.150 nan 0.000 0.504 350 T N 1.836 116.567 114.554 0.295 0.000 2.876 350 T HA 0.575 4.927 4.350 0.004 0.000 0.289 350 T C -0.756 174.133 174.700 0.316 0.000 1.014 350 T CA -0.398 61.864 62.100 0.271 0.000 0.986 350 T CB 1.611 70.684 68.868 0.342 0.000 1.021 350 T HN 0.537 nan 8.240 nan 0.000 0.458 351 V N 3.691 123.751 119.914 0.243 0.000 2.577 351 V HA 0.519 4.641 4.120 0.004 0.000 0.303 351 V C -0.774 175.430 176.094 0.183 0.000 1.042 351 V CA -0.806 61.649 62.300 0.258 0.000 0.872 351 V CB 1.683 33.670 31.823 0.274 0.000 0.998 351 V HN 0.709 nan 8.190 nan 0.000 0.423 352 L N 4.222 125.549 121.223 0.174 0.000 2.322 352 L HA 0.916 5.258 4.340 0.004 0.000 0.281 352 L C 0.296 177.241 176.870 0.126 0.000 1.014 352 L CA -0.256 54.666 54.840 0.137 0.000 0.815 352 L CB 1.805 43.944 42.059 0.134 0.000 1.247 352 L HN 0.799 nan 8.230 nan 0.000 0.421 353 A N 1.188 124.071 122.820 0.104 0.000 2.389 353 A HA 0.652 4.974 4.320 0.004 0.000 0.293 353 A C -0.347 177.283 177.584 0.077 0.000 1.186 353 A CA -0.424 51.668 52.037 0.093 0.000 0.828 353 A CB 0.820 19.871 19.000 0.085 0.000 1.369 353 A HN 0.794 nan 8.150 nan 0.000 0.446 354 D N -1.144 119.295 120.400 0.066 0.000 2.811 354 D HA -0.127 4.515 4.640 0.004 0.000 0.231 354 D C -0.214 176.112 176.300 0.044 0.000 1.157 354 D CA 1.140 55.169 54.000 0.048 0.000 0.716 354 D CB -1.915 38.910 40.800 0.041 0.000 1.077 354 D HN 0.337 nan 8.370 nan 0.000 0.428 355 V N 0.802 120.753 119.914 0.062 0.000 2.488 355 V HA 0.373 4.496 4.120 0.004 0.000 0.277 355 V C 1.232 177.316 176.094 -0.018 0.000 1.046 355 V CA 0.322 62.663 62.300 0.068 0.000 0.986 355 V CB 1.464 33.380 31.823 0.154 0.000 0.989 355 V HN 0.355 nan 8.190 nan 0.000 0.475 356 T N 2.866 117.374 114.554 -0.076 0.000 2.940 356 T HA 0.475 4.827 4.350 0.004 0.000 0.288 356 T C -1.956 172.509 174.700 -0.392 0.000 1.033 356 T CA -2.183 59.788 62.100 -0.216 0.000 1.033 356 T CB 1.935 70.735 68.868 -0.113 0.000 1.079 356 T HN 0.354 nan 8.240 nan 0.000 0.496 357 P HA -0.059 nan 4.420 nan 0.000 0.218 357 P C 0.554 177.768 177.300 -0.144 0.000 1.146 357 P CA 1.015 63.662 63.100 -0.756 0.000 0.813 357 P CB -0.076 31.319 31.700 -0.509 0.000 0.778 361 A N 0.314 123.207 122.820 0.122 0.000 2.070 361 A HA 0.161 4.483 4.320 0.004 0.000 0.220 361 A C 1.651 179.319 177.584 0.139 0.000 1.159 361 A CA 1.447 53.554 52.037 0.117 0.000 0.656 361 A CB -0.696 18.379 19.000 0.124 0.000 0.800 361 A HN 0.487 nan 8.150 nan 0.000 0.453 362 F N -0.570 119.403 119.950 0.038 0.000 2.505 362 F HA 0.143 4.672 4.527 0.003 0.000 0.289 362 F C 2.304 178.139 175.800 0.059 0.000 1.101 362 F CA 0.621 58.641 58.000 0.034 0.000 1.446 362 F CB 0.220 39.236 39.000 0.027 0.000 1.123 362 F HN 0.053 nan 8.300 nan 0.000 0.564 363 R N -0.271 120.365 120.500 0.227 0.000 2.189 363 R HA 0.159 4.501 4.340 0.004 0.000 0.203 363 R C 0.188 176.601 176.300 0.189 0.000 1.012 363 R CA 0.264 56.476 56.100 0.187 0.000 1.015 363 R CB -0.014 30.393 30.300 0.180 0.000 0.938 363 R HN 0.321 nan 8.270 nan 0.000 0.472 364 Q N 0.823 120.714 119.800 0.151 0.000 2.248 364 Q HA 0.198 4.540 4.340 0.004 0.000 0.263 364 Q C -0.805 175.230 176.000 0.059 0.000 1.007 364 Q CA -0.490 55.415 55.803 0.170 0.000 0.877 364 Q CB 2.051 30.859 28.738 0.118 0.000 1.315 364 Q HN 0.016 nan 8.270 nan 0.000 0.454 365 E N 1.915 122.108 120.200 -0.013 0.000 2.257 365 E HA 0.098 4.450 4.350 0.004 0.000 0.278 365 E C -1.050 175.535 176.600 -0.024 0.000 1.049 365 E CA -0.141 56.140 56.400 -0.198 0.000 0.876 365 E CB 0.390 29.875 29.700 -0.358 0.000 1.035 365 E HN 0.412 nan 8.360 nan 0.000 0.419 366 L N 6.386 127.597 121.223 -0.019 0.000 2.288 366 L HA 0.239 4.582 4.340 0.004 0.000 0.283 366 L C -0.222 176.695 176.870 0.079 0.000 1.072 366 L CA -0.542 54.317 54.840 0.032 0.000 0.862 366 L CB 0.086 42.149 42.059 0.007 0.000 1.245 366 L HN 0.632 nan 8.230 nan 0.000 0.432 367 F N 3.310 123.231 119.950 -0.048 0.000 2.606 367 F HA 0.562 5.091 4.527 0.004 0.000 0.347 367 F C 0.818 176.627 175.800 0.015 0.000 1.207 367 F CA -0.245 57.744 58.000 -0.018 0.000 1.306 367 F CB 0.166 39.173 39.000 0.011 0.000 1.657 367 F HN 0.417 nan 8.300 nan 0.000 0.606 368 G N 2.348 111.096 108.800 -0.087 0.000 2.342 368 G HA2 0.229 4.192 3.960 0.004 0.000 0.297 368 G HA3 0.229 4.192 3.960 0.004 0.000 0.297 368 G C -3.122 171.767 174.900 -0.019 0.000 1.313 368 G CA -0.834 44.229 45.100 -0.061 0.000 0.830 368 G HN -0.127 nan 8.290 nan 0.000 0.506 369 P HA 0.369 nan 4.420 nan 0.000 0.220 369 P C -0.602 176.889 177.300 0.318 0.000 1.806 369 P CA -0.089 63.161 63.100 0.251 0.000 0.976 369 P CB 0.330 32.268 31.700 0.396 0.000 1.952 370 V N 1.369 121.370 119.914 0.145 0.000 2.447 370 V HA 0.551 4.674 4.120 0.004 0.000 0.292 370 V C 0.378 176.550 176.094 0.131 0.000 1.021 370 V CA -1.038 61.374 62.300 0.187 0.000 0.850 370 V CB 1.666 33.575 31.823 0.143 0.000 1.005 370 V HN 0.324 nan 8.190 nan 0.000 0.426 371 A N 3.937 126.893 122.820 0.226 0.000 2.327 371 A HA 0.911 5.233 4.320 0.004 0.000 0.283 371 A C 0.256 177.979 177.584 0.233 0.000 1.127 371 A CA -0.071 52.133 52.037 0.278 0.000 0.810 371 A CB 1.046 20.287 19.000 0.401 0.000 1.066 371 A HN 1.365 nan 8.150 nan 0.000 0.492 372 A N 2.338 125.294 122.820 0.227 0.000 2.318 372 A HA 0.701 5.023 4.320 0.004 0.000 0.317 372 A C -0.603 177.116 177.584 0.224 0.000 1.159 372 A CA -0.385 51.762 52.037 0.184 0.000 0.799 372 A CB 0.444 19.526 19.000 0.135 0.000 1.194 372 A HN 0.723 nan 8.150 nan 0.000 0.479 373 I N 2.062 122.739 120.570 0.179 0.000 2.406 373 I HA 0.408 4.580 4.170 0.004 0.000 0.290 373 I C -0.256 175.941 176.117 0.133 0.000 0.999 373 I CA -0.183 61.214 61.300 0.162 0.000 1.124 373 I CB 2.335 40.404 38.000 0.114 0.000 1.289 373 I HN 0.548 nan 8.210 nan 0.000 0.441 374 T N 5.283 119.911 114.554 0.124 0.000 2.841 374 T HA 0.439 4.791 4.350 0.004 0.000 0.283 374 T C -0.304 174.417 174.700 0.034 0.000 1.000 374 T CA -0.462 61.688 62.100 0.083 0.000 0.977 374 T CB 2.162 71.110 68.868 0.133 0.000 0.979 374 T HN 0.136 nan 8.240 nan 0.000 0.446 375 V N 2.730 122.656 119.914 0.021 0.000 2.465 375 V HA 0.702 4.824 4.120 0.004 0.000 0.279 375 V C 0.362 176.467 176.094 0.018 0.000 1.045 375 V CA -0.710 61.604 62.300 0.023 0.000 0.938 375 V CB 1.085 32.934 31.823 0.043 0.000 0.986 375 V HN 1.070 nan 8.190 nan 0.000 0.467 376 A N 4.184 127.013 122.820 0.014 0.000 2.317 376 A HA 0.574 4.896 4.320 0.004 0.000 0.327 376 A C 0.860 178.560 177.584 0.193 0.000 1.178 376 A CA -0.668 51.396 52.037 0.046 0.000 0.817 376 A CB 0.927 19.885 19.000 -0.070 0.000 1.189 376 A HN 0.880 nan 8.150 nan 0.000 0.489 377 K N 0.257 120.893 120.400 0.393 0.000 2.097 377 K HA -0.055 4.267 4.320 0.004 0.000 0.205 377 K C -0.195 176.465 176.600 0.100 0.000 1.050 377 K CA 1.873 58.252 56.287 0.154 0.000 0.938 377 K CB -0.076 32.444 32.500 0.033 0.000 0.718 377 K HN 0.951 nan 8.250 nan 0.000 0.442 378 D N -3.470 117.003 120.400 0.122 0.000 2.713 378 D HA 0.218 4.860 4.640 0.004 0.000 0.306 378 D C 0.161 176.505 176.300 0.073 0.000 1.299 378 D CA -0.234 53.810 54.000 0.074 0.000 0.823 378 D CB 0.289 41.120 40.800 0.052 0.000 1.353 378 D HN -0.136 nan 8.370 nan 0.000 0.447 379 A N 0.095 122.941 122.820 0.045 0.000 1.917 379 A HA 0.074 4.396 4.320 0.004 0.000 0.219 379 A C 2.146 179.753 177.584 0.039 0.000 1.182 379 A CA 3.166 55.221 52.037 0.031 0.000 0.633 379 A CB -1.396 17.614 19.000 0.018 0.000 0.819 379 A HN 0.828 nan 8.150 nan 0.000 0.448 380 A N -1.446 121.405 122.820 0.052 0.000 1.877 380 A HA -0.222 4.101 4.320 0.004 0.000 0.216 380 A C 2.114 179.761 177.584 0.105 0.000 1.186 380 A CA 1.753 53.825 52.037 0.060 0.000 0.620 380 A CB -1.016 18.013 19.000 0.048 0.000 0.822 380 A HN 0.800 nan 8.150 nan 0.000 0.443 381 H N -0.555 118.519 119.070 0.005 0.000 2.387 381 H HA -0.056 4.502 4.556 0.003 0.000 0.299 381 H C 2.295 177.634 175.328 0.018 0.000 1.090 381 H CA 1.048 57.101 56.048 0.007 0.000 1.332 381 H CB 0.035 29.797 29.762 0.001 0.000 1.386 381 H HN 0.468 nan 8.280 nan 0.000 0.516 382 A N 1.129 123.944 122.820 -0.009 0.000 1.902 382 A HA -0.159 4.163 4.320 0.004 0.000 0.217 382 A C 2.388 179.953 177.584 -0.031 0.000 1.181 382 A CA 1.364 53.361 52.037 -0.066 0.000 0.623 382 A CB -0.768 18.215 19.000 -0.028 0.000 0.818 382 A HN 0.443 nan 8.150 nan 0.000 0.443 383 L N -0.192 121.030 121.223 -0.001 0.000 2.046 383 L HA -0.079 4.263 4.340 0.004 0.000 0.208 383 L C 2.656 179.537 176.870 0.019 0.000 1.077 383 L CA 2.267 57.110 54.840 0.005 0.000 0.747 383 L CB -0.793 41.271 42.059 0.009 0.000 0.896 383 L HN 0.342 nan 8.230 nan 0.000 0.432 384 A N -0.633 122.209 122.820 0.037 0.000 1.902 384 A HA -0.157 4.165 4.320 0.004 0.000 0.217 384 A C 2.266 179.888 177.584 0.064 0.000 1.181 384 A CA 1.954 54.026 52.037 0.059 0.000 0.623 384 A CB -0.872 18.189 19.000 0.103 0.000 0.818 384 A HN 0.504 nan 8.150 nan 0.000 0.443 385 L N -0.785 120.453 121.223 0.025 0.000 2.017 385 L HA -0.189 4.153 4.340 0.004 0.000 0.208 385 L C 3.130 180.118 176.870 0.197 0.000 1.073 385 L CA 1.045 55.956 54.840 0.117 0.000 0.745 385 L CB -0.583 41.471 42.059 -0.010 0.000 0.894 385 L HN 0.432 nan 8.230 nan 0.000 0.432 386 A N 0.284 123.147 122.820 0.071 0.000 1.892 386 A HA -0.236 4.086 4.320 0.004 0.000 0.218 386 A C 1.964 179.557 177.584 0.015 0.000 1.188 386 A CA 2.167 54.213 52.037 0.015 0.000 0.631 386 A CB -0.590 18.403 19.000 -0.012 0.000 0.822 386 A HN 0.461 nan 8.150 nan 0.000 0.447 387 N N 0.062 118.783 118.700 0.034 0.000 2.467 387 N HA -0.035 4.707 4.740 0.004 0.000 0.184 387 N C -0.093 175.450 175.510 0.055 0.000 1.106 387 N CA 0.635 53.703 53.050 0.031 0.000 0.892 387 N CB -0.185 38.315 38.487 0.022 0.000 0.969 387 N HN 0.455 nan 8.380 nan 0.000 0.454 388 D N 0.625 121.092 120.400 0.110 0.000 2.608 388 D HA 0.138 4.780 4.640 0.004 0.000 0.224 388 D C -0.900 175.498 176.300 0.164 0.000 1.123 388 D CA 0.027 54.122 54.000 0.158 0.000 1.030 388 D CB -0.231 40.707 40.800 0.231 0.000 1.093 388 D HN -0.111 nan 8.370 nan 0.000 0.497 389 S N 1.522 117.265 115.700 0.072 0.000 2.537 389 S HA 0.194 4.666 4.470 0.004 0.000 0.271 389 S C 0.468 175.063 174.600 -0.009 0.000 1.148 389 S CA -0.680 57.547 58.200 0.046 0.000 0.868 389 S CB 1.250 64.467 63.200 0.028 0.000 1.115 389 S HN 0.231 nan 8.310 nan 0.000 0.461 390 E N 1.478 121.614 120.200 -0.107 0.000 2.482 390 E HA 0.107 4.459 4.350 0.004 0.000 0.196 390 E C -0.531 175.823 176.600 -0.410 0.000 1.047 390 E CA 0.658 56.877 56.400 -0.302 0.000 0.869 390 E CB 0.149 29.555 29.700 -0.490 0.000 0.836 390 E HN 0.510 nan 8.360 nan 0.000 0.520 391 F N -0.335 119.587 119.950 -0.046 0.000 2.509 391 F HA 0.560 5.089 4.527 0.004 0.000 0.334 391 F C 0.952 176.716 175.800 -0.060 0.000 1.060 391 F CA -0.806 57.161 58.000 -0.054 0.000 0.997 391 F CB 1.747 40.709 39.000 -0.064 0.000 1.271 391 F HN -0.249 nan 8.300 nan 0.000 0.488 392 G N 1.227 110.116 108.800 0.148 0.000 4.341 392 G HA2 0.322 4.284 3.960 0.004 0.000 0.252 392 G HA3 0.322 4.284 3.960 0.004 0.000 0.252 392 G C -0.541 174.355 174.900 -0.008 0.000 2.181 392 G CA -0.161 44.963 45.100 0.041 0.000 0.602 392 G HN 0.544 nan 8.290 nan 0.000 0.346 393 L N 0.268 121.480 121.223 -0.018 0.000 2.208 393 L HA 0.637 4.979 4.340 0.004 0.000 0.196 393 L C 0.898 177.703 176.870 -0.110 0.000 1.130 393 L CA 1.417 56.196 54.840 -0.101 0.000 0.791 393 L CB 0.090 42.089 42.059 -0.099 0.000 0.969 393 L HN 0.231 nan 8.230 nan 0.000 0.468 394 S N -1.820 113.856 115.700 -0.041 0.000 2.697 394 S HA 0.896 5.368 4.470 0.004 0.000 0.289 394 S C -1.248 173.378 174.600 0.043 0.000 1.149 394 S CA -0.217 58.004 58.200 0.035 0.000 0.850 394 S CB 1.834 65.117 63.200 0.138 0.000 1.151 394 S HN 0.565 nan 8.310 nan 0.000 0.491 395 A N 0.675 123.553 122.820 0.095 0.000 2.606 395 A HA 0.817 5.139 4.320 0.004 0.000 0.293 395 A C -1.152 176.479 177.584 0.078 0.000 1.082 395 A CA -0.643 51.420 52.037 0.043 0.000 0.685 395 A CB 1.538 20.530 19.000 -0.012 0.000 1.284 395 A HN 0.555 nan 8.150 nan 0.000 0.408 396 T N 1.192 115.722 114.554 -0.040 0.000 2.876 396 T HA 0.685 5.037 4.350 0.004 0.000 0.289 396 T C -0.734 173.793 174.700 -0.288 0.000 1.014 396 T CA -0.115 61.875 62.100 -0.183 0.000 0.986 396 T CB 0.907 69.516 68.868 -0.431 0.000 1.021 396 T HN 0.484 nan 8.240 nan 0.000 0.458 397 I N 2.407 122.810 120.570 -0.278 0.000 2.499 397 I HA 0.458 4.630 4.170 0.004 0.000 0.288 397 I C -1.301 174.637 176.117 -0.299 0.000 1.048 397 I CA -0.755 60.413 61.300 -0.221 0.000 1.062 397 I CB 1.750 39.659 38.000 -0.151 0.000 1.238 397 I HN 0.510 nan 8.210 nan 0.000 0.426 398 F N 4.009 123.829 119.950 -0.216 0.000 2.402 398 F HA 0.612 5.141 4.527 0.003 0.000 0.355 398 F C 0.338 176.104 175.800 -0.058 0.000 1.123 398 F CA -0.275 57.654 58.000 -0.118 0.000 1.021 398 F CB 1.891 40.848 39.000 -0.072 0.000 1.160 398 F HN 0.326 nan 8.300 nan 0.000 0.451 399 T N 1.650 116.223 114.554 0.032 0.000 2.957 399 T HA 0.525 4.877 4.350 0.004 0.000 0.336 399 T C 0.103 174.811 174.700 0.013 0.000 1.462 399 T CA -0.034 62.088 62.100 0.037 0.000 1.073 399 T CB 1.259 70.130 68.868 0.006 0.000 1.319 399 T HN 0.558 nan 8.240 nan 0.000 0.485 400 A N 2.168 125.008 122.820 0.034 0.000 2.208 400 A HA 0.224 4.546 4.320 0.004 0.000 0.209 400 A C 0.904 178.491 177.584 0.005 0.000 1.161 400 A CA 0.439 52.490 52.037 0.023 0.000 0.782 400 A CB -0.205 18.818 19.000 0.038 0.000 0.816 400 A HN 0.722 nan 8.150 nan 0.000 0.477 401 D N 0.731 121.131 120.400 0.001 0.000 2.435 401 D HA 0.124 4.766 4.640 0.004 0.000 0.230 401 D C -0.038 176.250 176.300 -0.020 0.000 1.215 401 D CA -0.192 53.805 54.000 -0.006 0.000 0.947 401 D CB 0.215 41.014 40.800 -0.002 0.000 1.048 401 D HN 0.155 nan 8.370 nan 0.000 0.512 402 D N 1.598 121.986 120.400 -0.021 0.000 2.116 402 D HA -0.169 4.473 4.640 0.004 0.000 0.193 402 D C 1.676 177.957 176.300 -0.031 0.000 0.998 402 D CA 1.410 55.392 54.000 -0.031 0.000 0.836 402 D CB -0.119 40.667 40.800 -0.024 0.000 0.951 402 D HN 0.396 nan 8.370 nan 0.000 0.449 403 T N 1.042 115.582 114.554 -0.022 0.000 2.746 403 T HA -0.136 4.216 4.350 0.004 0.000 0.267 403 T C 1.928 176.614 174.700 -0.024 0.000 1.039 403 T CA 0.628 62.715 62.100 -0.021 0.000 1.142 403 T CB -0.387 68.473 68.868 -0.014 0.000 0.866 403 T HN 0.035 nan 8.240 nan 0.000 0.444 404 L N 1.426 122.636 121.223 -0.021 0.000 2.046 404 L HA 0.059 4.401 4.340 0.004 0.000 0.208 404 L C 2.588 179.438 176.870 -0.033 0.000 1.077 404 L CA 1.846 56.673 54.840 -0.021 0.000 0.747 404 L CB -1.024 41.027 42.059 -0.014 0.000 0.896 404 L HN 0.222 nan 8.230 nan 0.000 0.432 405 A N -0.441 122.352 122.820 -0.044 0.000 1.877 405 A HA -0.128 4.194 4.320 0.004 0.000 0.216 405 A C 2.466 180.010 177.584 -0.066 0.000 1.186 405 A CA 1.933 53.931 52.037 -0.064 0.000 0.620 405 A CB -1.245 17.705 19.000 -0.084 0.000 0.822 405 A HN 0.575 nan 8.150 nan 0.000 0.443 406 A N -0.190 122.595 122.820 -0.057 0.000 1.902 406 A HA -0.066 4.256 4.320 0.004 0.000 0.217 406 A C 1.281 178.837 177.584 -0.046 0.000 1.181 406 A CA 1.222 53.226 52.037 -0.055 0.000 0.623 406 A CB -0.410 18.562 19.000 -0.046 0.000 0.818 406 A HN 0.676 nan 8.150 nan 0.000 0.443 410 A N 0.616 123.405 122.820 -0.052 0.000 1.972 410 A HA -0.071 4.251 4.320 0.004 0.000 0.219 410 A C 1.930 179.493 177.584 -0.036 0.000 1.169 410 A CA 1.773 53.784 52.037 -0.043 0.000 0.635 410 A CB -0.452 18.528 19.000 -0.034 0.000 0.810 410 A HN 0.511 nan 8.150 nan 0.000 0.446 411 R N -1.198 119.282 120.500 -0.032 0.000 2.312 411 R HA 0.310 4.653 4.340 0.004 0.000 0.205 411 R C -0.368 175.917 176.300 -0.024 0.000 0.904 411 R CA -0.270 55.816 56.100 -0.024 0.000 1.052 411 R CB -0.046 30.244 30.300 -0.017 0.000 1.014 411 R HN 0.359 nan 8.270 nan 0.000 0.503 412 L N 2.217 123.420 121.223 -0.033 0.000 2.360 412 L HA 0.057 4.399 4.340 0.004 0.000 0.276 412 L C 0.189 177.039 176.870 -0.034 0.000 1.121 412 L CA 0.183 55.003 54.840 -0.033 0.000 0.845 412 L CB 0.831 42.864 42.059 -0.043 0.000 1.143 412 L HN 0.027 nan 8.230 nan 0.000 0.452 413 E N 3.831 124.016 120.200 -0.025 0.000 1.972 413 E HA 0.161 4.513 4.350 0.004 0.000 0.292 413 E C -0.624 175.959 176.600 -0.028 0.000 1.193 413 E CA -0.295 56.090 56.400 -0.025 0.000 1.228 413 E CB 0.026 29.717 29.700 -0.015 0.000 1.167 413 E HN 0.599 nan 8.360 nan 0.000 0.479 414 C N -3.105 116.169 119.300 -0.043 0.000 3.321 414 C HA 0.700 5.162 4.460 0.004 0.000 0.329 414 C C 1.379 176.321 174.990 -0.080 0.000 1.394 414 C CA -0.758 58.228 59.018 -0.053 0.000 1.291 414 C CB 0.828 28.542 27.740 -0.043 0.000 1.606 414 C HN 0.439 nan 8.230 nan 0.000 0.463 415 G N -0.655 108.079 108.800 -0.109 0.000 3.042 415 G HA2 0.532 4.494 3.960 0.004 0.000 0.212 415 G HA3 0.532 4.494 3.960 0.004 0.000 0.212 415 G C 0.466 175.275 174.900 -0.151 0.000 1.166 415 G CA 0.548 45.559 45.100 -0.147 0.000 0.767 415 G HN 1.645 nan 8.290 nan 0.000 0.546 416 G N -0.705 108.031 108.800 -0.107 0.000 2.731 416 G HA2 0.489 4.451 3.960 0.004 0.000 0.298 416 G HA3 0.489 4.451 3.960 0.004 0.000 0.298 416 G C -1.855 172.995 174.900 -0.083 0.000 1.424 416 G CA -0.341 44.699 45.100 -0.100 0.000 1.029 416 G HN 0.232 nan 8.290 nan 0.000 0.518 417 V N 1.838 121.599 119.914 -0.256 0.000 2.577 417 V HA 0.553 4.676 4.120 0.004 0.000 0.303 417 V C -1.121 174.729 176.094 -0.407 0.000 1.042 417 V CA -0.708 61.482 62.300 -0.184 0.000 0.872 417 V CB 1.467 33.200 31.823 -0.150 0.000 0.998 417 V HN 0.630 nan 8.190 nan 0.000 0.423 418 F N 4.727 124.617 119.950 -0.101 0.000 2.426 418 F HA 0.614 5.143 4.527 0.003 0.000 0.348 418 F C 0.175 175.842 175.800 -0.222 0.000 1.124 418 F CA -0.473 57.457 58.000 -0.117 0.000 1.008 418 F CB 1.523 40.487 39.000 -0.060 0.000 1.139 418 F HN 0.255 nan 8.300 nan 0.000 0.452 419 I N 4.565 125.056 120.570 -0.132 0.000 2.312 419 I HA 0.207 4.379 4.170 0.004 0.000 0.290 419 I C -0.304 175.584 176.117 -0.381 0.000 1.008 419 I CA -0.605 60.539 61.300 -0.260 0.000 1.226 419 I CB 0.760 38.644 38.000 -0.192 0.000 1.371 419 I HN 0.606 nan 8.210 nan 0.000 0.468 420 N N 4.623 122.819 118.700 -0.840 0.000 2.725 420 N HA -0.159 4.584 4.740 0.004 0.000 0.251 420 N C -0.241 174.933 175.510 -0.560 0.000 1.031 420 N CA 1.052 53.383 53.050 -1.199 0.000 0.720 420 N CB -0.804 37.381 38.487 -0.504 0.000 0.930 420 N HN 0.979 nan 8.380 nan 0.000 0.543 421 G N -1.455 107.115 108.800 -0.383 0.000 2.619 421 G HA2 0.553 4.515 3.960 0.004 0.000 0.305 421 G HA3 0.553 4.515 3.960 0.004 0.000 0.305 421 G C -1.740 173.272 174.900 0.187 0.000 1.330 421 G CA -0.854 44.311 45.100 0.109 0.000 0.789 421 G HN 0.066 nan 8.290 nan 0.000 0.487 422 Y N 1.522 121.909 120.300 0.146 0.000 2.335 422 Y HA 0.461 5.013 4.550 0.003 0.000 0.339 422 Y C 1.203 176.919 175.900 -0.305 0.000 0.987 422 Y CA -0.457 57.674 58.100 0.052 0.000 1.140 422 Y CB 1.701 40.191 38.460 0.050 0.000 1.173 422 Y HN 0.565 nan 8.280 nan 0.000 0.486 423 S N 2.382 117.823 115.700 -0.431 0.000 2.576 423 S HA 0.811 5.283 4.470 0.004 0.000 0.276 423 S C -0.131 174.064 174.600 -0.675 0.000 1.339 423 S CA -0.288 57.086 58.200 -1.377 0.000 1.039 423 S CB 1.312 63.989 63.200 -0.873 0.000 0.902 423 S HN 0.895 nan 8.310 nan 0.000 0.516 424 A N 1.667 124.097 122.820 -0.649 0.000 2.586 424 A HA 0.702 5.024 4.320 0.004 0.000 0.291 424 A C -0.219 177.358 177.584 -0.012 0.000 1.062 424 A CA -0.591 51.319 52.037 -0.212 0.000 0.666 424 A CB 0.592 19.485 19.000 -0.178 0.000 1.281 424 A HN 1.618 nan 8.150 nan 0.000 0.421 425 S N 0.691 116.327 115.700 -0.107 0.000 2.586 425 S HA 0.714 5.186 4.470 0.004 0.000 0.274 425 S C -0.698 173.856 174.600 -0.077 0.000 1.281 425 S CA -0.292 57.858 58.200 -0.082 0.000 1.035 425 S CB 1.464 64.430 63.200 -0.390 0.000 0.962 425 S HN 0.836 nan 8.310 nan 0.000 0.512 426 D N 0.099 120.501 120.400 0.004 0.000 2.927 426 D HA 0.384 5.027 4.640 0.004 0.000 0.219 426 D C 0.669 176.882 176.300 -0.145 0.000 1.248 426 D CA -0.450 53.500 54.000 -0.085 0.000 0.861 426 D CB 2.001 42.752 40.800 -0.081 0.000 1.677 426 D HN 0.568 nan 8.370 nan 0.000 0.511 427 A N 3.583 126.215 122.820 -0.312 0.000 2.024 427 A HA -0.174 4.149 4.320 0.004 0.000 0.220 427 A C 1.782 178.805 177.584 -0.935 0.000 1.164 427 A CA 1.260 52.922 52.037 -0.625 0.000 0.643 427 A CB -0.210 18.172 19.000 -1.031 0.000 0.806 427 A HN 0.629 nan 8.150 nan 0.000 0.451 428 R N -0.969 119.072 120.500 -0.765 0.000 2.307 428 R HA 0.118 4.460 4.340 0.004 0.000 0.199 428 R C 0.226 176.444 176.300 -0.137 0.000 1.000 428 R CA 0.796 56.623 56.100 -0.454 0.000 1.023 428 R CB -0.205 29.944 30.300 -0.251 0.000 0.908 428 R HN 0.543 nan 8.270 nan 0.000 0.473 429 V N -4.374 115.489 119.914 -0.086 0.000 3.078 429 V HA 0.780 4.903 4.120 0.004 0.000 0.311 429 V C -0.458 175.684 176.094 0.080 0.000 1.138 429 V CA -1.626 60.690 62.300 0.027 0.000 1.007 429 V CB 1.732 33.562 31.823 0.012 0.000 1.045 429 V HN -0.028 nan 8.190 nan 0.000 0.432 430 A N 2.228 125.071 122.820 0.038 0.000 2.445 430 A HA 0.710 5.032 4.320 0.004 0.000 0.242 430 A C -0.835 176.784 177.584 0.057 0.000 1.075 430 A CA 0.056 52.051 52.037 -0.070 0.000 0.777 430 A CB 0.040 18.662 19.000 -0.630 0.000 1.013 430 A HN 1.487 nan 8.150 nan 0.000 0.493 431 F N 1.047 120.959 119.950 -0.064 0.000 2.547 431 F HA 0.649 5.178 4.527 0.003 0.000 0.316 431 F C 0.283 176.063 175.800 -0.034 0.000 1.121 431 F CA 0.786 58.776 58.000 -0.016 0.000 0.911 431 F CB 1.933 40.957 39.000 0.039 0.000 1.179 431 F HN 1.200 nan 8.300 nan 0.000 0.443 432 G N 2.320 110.711 108.800 -0.682 0.000 2.353 432 G HA2 0.455 4.417 3.960 0.004 0.000 0.308 432 G HA3 0.455 4.417 3.960 0.004 0.000 0.308 432 G C -1.480 173.211 174.900 -0.348 0.000 1.418 432 G CA -0.217 44.613 45.100 -0.451 0.000 0.966 432 G HN 1.204 nan 8.290 nan 0.000 0.638 433 G N -1.813 106.857 108.800 -0.217 0.000 3.262 433 G HA2 1.073 5.035 3.960 0.004 0.000 0.229 433 G HA3 1.073 5.035 3.960 0.004 0.000 0.229 433 G C -0.135 174.731 174.900 -0.056 0.000 1.280 433 G CA 0.621 45.637 45.100 -0.140 0.000 0.951 433 G HN 2.113 nan 8.290 nan 0.000 0.589 434 V N -3.738 116.159 119.914 -0.028 0.000 3.156 434 V HA 0.840 4.962 4.120 0.004 0.000 0.311 434 V C 0.492 176.594 176.094 0.012 0.000 1.208 434 V CA -0.263 62.040 62.300 0.005 0.000 1.063 434 V CB 1.046 32.862 31.823 -0.011 0.000 1.098 434 V HN 1.115 nan 8.190 nan 0.000 0.452 435 K N -0.745 119.662 120.400 0.012 0.000 1.939 435 K HA -0.275 4.047 4.320 0.004 0.000 0.165 435 K C 1.083 177.668 176.600 -0.025 0.000 1.508 435 K CA 1.842 58.119 56.287 -0.017 0.000 0.525 435 K CB -1.195 31.277 32.500 -0.046 0.000 0.615 435 K HN 0.817 nan 8.250 nan 0.000 0.888 436 K N 1.152 121.486 120.400 -0.111 0.000 2.555 436 K HA 0.039 4.361 4.320 0.004 0.000 0.193 436 K C 1.618 178.216 176.600 -0.003 0.000 1.032 436 K CA 0.844 57.050 56.287 -0.135 0.000 1.004 436 K CB 0.026 32.303 32.500 -0.370 0.000 0.804 436 K HN 0.279 nan 8.250 nan 0.000 0.496 437 S N 0.363 116.103 115.700 0.067 0.000 2.515 437 S HA 0.033 4.506 4.470 0.004 0.000 0.231 437 S C 1.001 175.591 174.600 -0.017 0.000 0.987 437 S CA 0.626 58.879 58.200 0.088 0.000 0.936 437 S CB 0.144 63.386 63.200 0.069 0.000 0.766 437 S HN 0.659 nan 8.310 nan 0.000 0.528 438 G N 1.075 109.856 108.800 -0.031 0.000 2.395 438 G HA2 0.101 4.063 3.960 0.004 0.000 0.201 438 G HA3 0.101 4.063 3.960 0.004 0.000 0.201 438 G C -0.950 173.943 174.900 -0.011 0.000 1.206 438 G CA -0.406 44.604 45.100 -0.150 0.000 1.210 438 G HN 0.763 nan 8.290 nan 0.000 0.557 439 F N -2.291 117.648 119.950 -0.019 0.000 2.842 439 F HA 0.747 5.276 4.527 0.003 0.000 0.319 439 F C 0.441 176.228 175.800 -0.021 0.000 1.159 439 F CA 0.058 58.040 58.000 -0.030 0.000 0.902 439 F CB 0.848 39.833 39.000 -0.024 0.000 1.311 439 F HN 2.547 nan 8.300 nan 0.000 0.453 440 G N 1.371 110.342 108.800 0.286 0.000 2.730 440 G HA2 0.319 4.281 3.960 0.004 0.000 0.686 440 G HA3 0.319 4.281 3.960 0.004 0.000 0.686 440 G C -1.738 173.191 174.900 0.047 0.000 1.343 440 G CA -1.015 44.177 45.100 0.153 0.000 0.826 440 G HN 0.862 nan 8.290 nan 0.000 0.582 441 R N 0.467 120.996 120.500 0.047 0.000 2.686 441 R HA 0.578 4.920 4.340 0.004 0.000 0.283 441 R C -0.112 176.264 176.300 0.127 0.000 0.978 441 R CA -0.729 55.386 56.100 0.025 0.000 0.897 441 R CB 1.940 32.167 30.300 -0.122 0.000 1.192 441 R HN 0.766 nan 8.270 nan 0.000 0.457 442 E N 1.740 122.043 120.200 0.171 0.000 2.249 442 E HA 0.632 4.984 4.350 0.004 0.000 0.263 442 E C -0.176 176.558 176.600 0.224 0.000 0.950 442 E CA -0.857 55.663 56.400 0.200 0.000 0.827 442 E CB 1.540 31.355 29.700 0.191 0.000 1.220 442 E HN 0.323 nan 8.360 nan 0.000 0.411 443 L N 0.221 121.572 121.223 0.212 0.000 0.640 443 L HA -0.346 3.996 4.340 0.004 0.000 0.356 443 L C 0.738 177.768 176.870 0.267 0.000 0.995 443 L CA 0.540 55.527 54.840 0.245 0.000 1.223 443 L CB -1.380 40.764 42.059 0.141 0.000 0.095 443 L HN 0.911 nan 8.230 nan 0.000 0.099 444 S N -0.028 115.756 115.700 0.140 0.000 3.366 444 S HA -0.330 4.142 4.470 0.004 0.000 0.625 444 S C 1.095 175.753 174.600 0.095 0.000 2.797 444 S CA 2.248 60.497 58.200 0.082 0.000 3.953 444 S CB -0.508 62.721 63.200 0.048 0.000 0.301 444 S HN 1.516 nan 8.310 nan 0.000 1.237 445 H N -0.082 118.890 119.070 -0.163 0.000 2.535 445 H HA 0.324 4.882 4.556 0.003 0.000 0.273 445 H C 1.728 176.745 175.328 -0.519 0.000 0.983 445 H CA 1.366 57.150 56.048 -0.440 0.000 1.238 445 H CB -0.644 28.753 29.762 -0.610 0.000 1.412 445 H HN 0.376 nan 8.280 nan 0.000 0.562 446 F N 1.575 121.364 119.950 -0.269 0.000 2.102 446 F HA 0.011 4.540 4.527 0.003 0.000 0.298 446 F C 2.785 178.582 175.800 -0.006 0.000 1.105 446 F CA 1.440 59.386 58.000 -0.089 0.000 1.239 446 F CB -0.814 38.121 39.000 -0.108 0.000 0.991 446 F HN 0.409 nan 8.300 nan 0.000 0.474 447 G N -0.371 108.551 108.800 0.204 0.000 2.443 447 G HA2 -0.153 3.810 3.960 0.004 0.000 0.219 447 G HA3 -0.153 3.810 3.960 0.004 0.000 0.219 447 G C 1.680 176.662 174.900 0.136 0.000 1.131 447 G CA 0.503 45.707 45.100 0.173 0.000 0.775 447 G HN 0.350 nan 8.290 nan 0.000 0.547 448 L N -0.752 120.511 121.223 0.067 0.000 2.068 448 L HA 0.118 4.460 4.340 0.004 0.000 0.204 448 L C 2.631 179.569 176.870 0.113 0.000 1.076 448 L CA 1.162 56.027 54.840 0.042 0.000 0.753 448 L CB -0.131 41.917 42.059 -0.018 0.000 0.910 448 L HN 0.337 nan 8.230 nan 0.000 0.439 449 H N -1.320 117.792 119.070 0.070 0.000 2.529 449 H HA -0.052 4.506 4.556 0.004 0.000 0.277 449 H C 1.811 177.175 175.328 0.061 0.000 0.999 449 H CA 0.330 56.421 56.048 0.071 0.000 1.256 449 H CB 0.374 30.166 29.762 0.050 0.000 1.402 449 H HN 0.322 nan 8.280 nan 0.000 0.566 450 E N 0.747 120.988 120.200 0.067 0.000 2.118 450 E HA -0.154 4.198 4.350 0.004 0.000 0.195 450 E C 0.216 176.514 176.600 -0.502 0.000 0.992 450 E CA 1.046 57.286 56.400 -0.267 0.000 0.804 450 E CB -0.007 29.393 29.700 -0.500 0.000 0.741 450 E HN 0.487 nan 8.360 nan 0.000 0.458 451 F N -0.337 119.710 119.950 0.161 0.000 2.923 451 F HA 0.182 4.711 4.527 0.003 0.000 0.314 451 F C 0.185 176.076 175.800 0.152 0.000 1.196 451 F CA -0.524 57.554 58.000 0.131 0.000 1.320 451 F CB 0.298 39.360 39.000 0.103 0.000 0.953 451 F HN -0.192 nan 8.300 nan 0.000 0.505 452 C N 0.481 119.937 119.300 0.260 0.000 2.435 452 C HA 0.406 4.869 4.460 0.004 0.000 0.333 452 C C 0.543 175.643 174.990 0.184 0.000 1.202 452 C CA -1.073 58.102 59.018 0.261 0.000 1.830 452 C CB 1.106 29.061 27.740 0.359 0.000 2.326 452 C HN 0.444 nan 8.230 nan 0.000 0.507 453 N N 1.604 120.396 118.700 0.154 0.000 2.439 453 N HA 0.184 4.926 4.740 0.004 0.000 0.243 453 N C -0.683 174.850 175.510 0.038 0.000 1.088 453 N CA -0.026 53.078 53.050 0.091 0.000 0.940 453 N CB 0.531 39.072 38.487 0.090 0.000 1.180 453 N HN 0.422 nan 8.380 nan 0.000 0.505 454 V N 4.236 124.145 119.914 -0.009 0.000 2.415 454 V HA 0.095 4.218 4.120 0.004 0.000 0.267 454 V C 0.443 176.454 176.094 -0.137 0.000 1.042 454 V CA -0.025 62.178 62.300 -0.161 0.000 1.000 454 V CB 0.176 31.912 31.823 -0.144 0.000 1.015 454 V HN 0.657 nan 8.190 nan 0.000 0.478 455 Q N 3.522 123.219 119.800 -0.173 0.000 2.325 455 Q HA 0.357 4.699 4.340 0.004 0.000 0.270 455 Q C -0.536 175.402 176.000 -0.102 0.000 1.020 455 Q CA -0.526 55.222 55.803 -0.092 0.000 0.785 455 Q CB 1.703 30.412 28.738 -0.048 0.000 1.259 455 Q HN 0.728 nan 8.270 nan 0.000 0.452 456 T N 2.599 117.121 114.554 -0.052 0.000 2.851 456 T HA 0.298 4.650 4.350 0.004 0.000 0.298 456 T C -0.502 174.214 174.700 0.026 0.000 0.977 456 T CA -0.194 61.892 62.100 -0.023 0.000 1.126 456 T CB 0.729 69.621 68.868 0.039 0.000 0.916 456 T HN 0.349 nan 8.240 nan 0.000 0.529 457 V N 4.649 124.578 119.914 0.024 0.000 2.443 457 V HA 0.442 4.564 4.120 0.004 0.000 0.293 457 V C -1.014 175.165 176.094 0.143 0.000 1.021 457 V CA -0.994 61.348 62.300 0.071 0.000 0.848 457 V CB 1.551 33.392 31.823 0.029 0.000 0.998 457 V HN 0.828 nan 8.190 nan 0.000 0.424 458 W N 6.984 128.267 121.300 -0.027 0.000 2.554 458 W HA 0.577 5.239 4.660 0.004 0.000 0.324 458 W C -0.433 176.075 176.519 -0.018 0.000 1.018 458 W CA -1.607 55.724 57.345 -0.023 0.000 1.243 458 W CB 2.041 31.487 29.460 -0.023 0.000 1.345 458 W HN 0.684 nan 8.180 nan 0.000 0.441 459 K N 4.335 124.976 120.400 0.402 0.000 2.098 459 K HA 0.421 4.743 4.320 0.004 0.000 0.258 459 K C 0.397 177.125 176.600 0.213 0.000 0.973 459 K CA -0.501 55.915 56.287 0.214 0.000 0.898 459 K CB 0.958 33.534 32.500 0.126 0.000 1.057 459 K HN 0.425 nan 8.250 nan 0.000 0.447 460 N N 0.918 119.661 118.700 0.072 0.000 2.735 460 N HA -0.200 4.542 4.740 0.004 0.000 0.248 460 N C -0.886 174.624 175.510 -0.001 0.000 1.083 460 N CA 0.771 53.843 53.050 0.036 0.000 0.703 460 N CB -0.990 37.538 38.487 0.068 0.000 1.005 460 N HN 0.729 nan 8.380 nan 0.000 0.550 461 R N 0.935 121.330 120.500 -0.176 0.000 2.351 461 R HA 0.363 4.705 4.340 0.004 0.000 0.321 461 R C -0.399 175.764 176.300 -0.229 0.000 1.182 461 R CA -0.048 55.833 56.100 -0.365 0.000 1.011 461 R CB 0.348 30.000 30.300 -1.079 0.000 1.048 461 R HN 0.012 nan 8.270 nan 0.000 0.490 462 V N 0.000 119.848 119.914 -0.110 0.000 2.409 462 V HA 0.000 4.122 4.120 0.004 0.000 0.244 462 V CA 0.000 62.252 62.300 -0.081 0.000 1.235 462 V CB 0.000 31.794 31.823 -0.048 0.000 1.184 462 V HN 0.000 nan 8.190 nan 0.000 0.556