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 2v8d_1_B DATA FIRST_RESID 25 DATA SEQUENCE AAPLSIASGR LNQTILETGS QFGGVARWGQ ESHEFGMRRL AGTALDGAMR DATA SEQUENCE DWFTNECESL GCKVKVDKIG NMFAVYPGKN GGKPTATGSH LDTQPEAGKY DATA SEQUENCE DGILGVLAGL EVLRTFKDNN YVPNYDVCVV VWFNAEGARF ARSCTGSSVW DATA SEQUENCE SHDLSLEEAY GLMSVGEDKP ESVYDSLKNI GYIGDTPASY KENEIDAHFE DATA SEQUENCE LHIEQGPILE DENKAIGIVT GVQAYNWQKV TVHGVGAHAG TTPWRLRKDA DATA SEQUENCE LLMSSKMIVA ASEIAQRHNG LFTCGIIDAK PYSVNIIPGE VSFTLDFRHP DATA SEQUENCE SDDVLATMLK EAAAEFDRLI KINDGGALSY ESETLQVSPA VNFHEVCIEC DATA SEQUENCE VSRSAFAQFK KDQVRQIWSG AGHDSCQTAP HVPTSMIFIP SKDGLSHNYY DATA SEQUENCE EYSSPEEIEN GFKVLLQAII NYDNYRVIR 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.579 177.584 -0.008 0.000 1.274 25 A CA 0.000 52.044 52.037 0.012 0.000 0.836 25 A CB 0.000 19.003 19.000 0.004 0.000 0.831 26 A N 4.194 127.006 122.820 -0.013 0.000 2.410 26 A HA 0.651 4.963 4.320 -0.014 0.000 0.292 26 A C -2.094 175.407 177.584 -0.138 0.000 1.232 26 A CA -0.953 51.044 52.037 -0.068 0.000 0.893 26 A CB -0.337 18.618 19.000 -0.076 0.000 1.131 26 A HN 0.442 nan 8.150 nan 0.000 0.530 27 P HA 0.252 nan 4.420 nan 0.000 0.202 27 P C -0.422 176.807 177.300 -0.120 0.000 1.869 27 P CA -0.244 62.790 63.100 -0.110 0.000 1.017 27 P CB -0.067 31.588 31.700 -0.075 0.000 1.848 28 L N 0.697 121.818 121.223 -0.171 0.000 2.578 28 L HA 0.025 4.356 4.340 -0.014 0.000 0.279 28 L C 1.417 178.246 176.870 -0.068 0.000 1.227 28 L CA 0.232 54.988 54.840 -0.140 0.000 0.900 28 L CB -0.297 41.657 42.059 -0.175 0.000 1.144 28 L HN 0.261 nan 8.230 nan 0.000 0.496 29 S N 3.669 119.350 115.700 -0.031 0.000 2.584 29 S HA 0.551 5.013 4.470 -0.014 0.000 0.270 29 S C -0.366 174.253 174.600 0.032 0.000 1.346 29 S CA -0.775 57.423 58.200 -0.002 0.000 1.018 29 S CB 1.023 64.225 63.200 0.005 0.000 0.899 29 S HN 0.451 nan 8.310 nan 0.000 0.542 30 I N -2.216 118.384 120.570 0.050 0.000 2.730 30 I HA 0.756 4.917 4.170 -0.014 0.000 0.298 30 I C -0.187 175.967 176.117 0.061 0.000 1.089 30 I CA -1.568 59.788 61.300 0.094 0.000 1.041 30 I CB 1.665 39.772 38.000 0.178 0.000 1.235 30 I HN 0.723 nan 8.210 nan 0.000 0.423 31 A N 3.545 126.395 122.820 0.050 0.000 2.666 31 A HA 0.501 4.813 4.320 -0.014 0.000 0.301 31 A C 0.629 178.224 177.584 0.017 0.000 1.470 31 A CA -0.133 51.919 52.037 0.024 0.000 1.159 31 A CB -1.178 17.829 19.000 0.011 0.000 1.116 31 A HN 0.908 nan 8.150 nan 0.000 0.548 32 S N 2.168 117.883 115.700 0.025 0.000 2.555 32 S HA 0.433 4.895 4.470 -0.014 0.000 0.293 32 S C 1.264 175.871 174.600 0.012 0.000 1.248 32 S CA 0.230 58.445 58.200 0.025 0.000 1.096 32 S CB 0.410 63.626 63.200 0.027 0.000 0.881 32 S HN 2.248 nan 8.310 nan 0.000 0.498 33 G N 4.143 112.945 108.800 0.003 0.000 2.313 33 G HA2 -0.319 3.633 3.960 -0.014 0.000 0.215 33 G HA3 -0.319 3.633 3.960 -0.014 0.000 0.215 33 G C 0.918 175.808 174.900 -0.018 0.000 1.023 33 G CA 0.268 45.367 45.100 -0.002 0.000 0.626 33 G HN 0.780 nan 8.290 nan 0.000 0.503 34 R N 0.413 120.894 120.500 -0.031 0.000 2.112 34 R HA -0.073 4.259 4.340 -0.014 0.000 0.242 34 R C 2.579 178.843 176.300 -0.060 0.000 1.137 34 R CA 2.482 58.559 56.100 -0.038 0.000 0.944 34 R CB -0.439 29.834 30.300 -0.045 0.000 0.857 34 R HN 0.641 nan 8.270 nan 0.000 0.435 35 L N 1.515 122.659 121.223 -0.133 0.000 1.971 35 L HA -0.246 4.086 4.340 -0.014 0.000 0.215 35 L C 1.971 178.805 176.870 -0.061 0.000 1.072 35 L CA 2.481 57.227 54.840 -0.158 0.000 0.758 35 L CB -1.128 40.747 42.059 -0.306 0.000 0.889 35 L HN 0.317 nan 8.230 nan 0.000 0.433 36 N N -1.100 117.583 118.700 -0.029 0.000 2.094 36 N HA -0.235 4.497 4.740 -0.014 0.000 0.191 36 N C 1.780 177.308 175.510 0.030 0.000 1.023 36 N CA 1.629 54.695 53.050 0.027 0.000 0.857 36 N CB -0.134 38.374 38.487 0.036 0.000 1.013 36 N HN 0.456 nan 8.380 nan 0.000 0.426 37 Q N -0.279 119.530 119.800 0.016 0.000 2.084 37 Q HA -0.046 4.286 4.340 -0.014 0.000 0.202 37 Q C 2.078 178.084 176.000 0.010 0.000 0.978 37 Q CA 1.694 57.509 55.803 0.020 0.000 0.844 37 Q CB -1.266 27.483 28.738 0.018 0.000 0.898 37 Q HN 0.444 nan 8.270 nan 0.000 0.426 38 T N 2.091 116.650 114.554 0.008 0.000 2.635 38 T HA -0.140 4.202 4.350 -0.014 0.000 0.267 38 T C 2.054 176.726 174.700 -0.047 0.000 1.040 38 T CA 1.502 63.609 62.100 0.011 0.000 1.156 38 T CB -0.368 68.532 68.868 0.052 0.000 0.863 38 T HN 0.222 nan 8.240 nan 0.000 0.430 39 I N 0.733 121.279 120.570 -0.041 0.000 2.179 39 I HA -0.137 4.025 4.170 -0.014 0.000 0.242 39 I C 2.369 178.444 176.117 -0.070 0.000 1.088 39 I CA 1.287 62.538 61.300 -0.082 0.000 1.357 39 I CB -0.515 37.432 38.000 -0.088 0.000 1.051 39 I HN 0.191 nan 8.210 nan 0.000 0.409 40 L N 0.175 121.392 121.223 -0.010 0.000 2.141 40 L HA -0.170 4.162 4.340 -0.014 0.000 0.209 40 L C 2.388 179.309 176.870 0.085 0.000 1.094 40 L CA 1.391 56.285 54.840 0.089 0.000 0.763 40 L CB -0.461 41.663 42.059 0.109 0.000 0.908 40 L HN 0.300 nan 8.230 nan 0.000 0.437 41 E N -0.417 119.765 120.200 -0.029 0.000 2.060 41 E HA -0.138 4.204 4.350 -0.014 0.000 0.189 41 E C 2.156 178.620 176.600 -0.227 0.000 0.974 41 E CA 1.589 57.919 56.400 -0.117 0.000 0.808 41 E CB 0.004 29.652 29.700 -0.086 0.000 0.768 41 E HN 0.490 nan 8.360 nan 0.000 0.453 42 T N -1.250 113.153 114.554 -0.253 0.000 2.788 42 T HA -0.095 4.247 4.350 -0.014 0.000 0.268 42 T C 2.045 176.672 174.700 -0.122 0.000 1.044 42 T CA 1.088 63.000 62.100 -0.314 0.000 1.139 42 T CB -0.684 67.916 68.868 -0.447 0.000 0.867 42 T HN 0.199 nan 8.240 nan 0.000 0.454 43 G N 0.834 109.604 108.800 -0.050 0.000 2.414 43 G HA2 -0.187 3.765 3.960 -0.014 0.000 0.215 43 G HA3 -0.187 3.765 3.960 -0.014 0.000 0.215 43 G C 1.865 176.756 174.900 -0.015 0.000 1.188 43 G CA 0.988 46.134 45.100 0.077 0.000 0.783 43 G HN 0.540 nan 8.290 nan 0.000 0.537 44 S N -0.323 115.243 115.700 -0.223 0.000 2.380 44 S HA -0.230 4.232 4.470 -0.014 0.000 0.229 44 S C 2.331 176.614 174.600 -0.527 0.000 1.043 44 S CA 2.241 60.009 58.200 -0.720 0.000 1.038 44 S CB -0.262 62.535 63.200 -0.672 0.000 0.872 44 S HN 0.543 nan 8.310 nan 0.000 0.456 45 Q N -1.545 117.930 119.800 -0.543 0.000 2.354 45 Q HA 0.159 4.491 4.340 -0.014 0.000 0.203 45 Q C -0.676 174.832 176.000 -0.821 0.000 0.933 45 Q CA 0.421 55.778 55.803 -0.744 0.000 0.901 45 Q CB 0.336 28.465 28.738 -1.016 0.000 1.007 45 Q HN 0.601 nan 8.270 nan 0.000 0.495 46 F N -0.428 119.430 119.950 -0.154 0.000 2.564 46 F HA 0.430 4.949 4.527 -0.013 0.000 0.368 46 F C 0.634 176.396 175.800 -0.064 0.000 1.127 46 F CA -0.242 57.698 58.000 -0.099 0.000 1.170 46 F CB 1.621 40.557 39.000 -0.108 0.000 1.397 46 F HN 0.066 nan 8.300 nan 0.000 0.493 47 G N 0.903 109.748 108.800 0.076 0.000 2.159 47 G HA2 -0.179 3.773 3.960 -0.014 0.000 0.227 47 G HA3 -0.179 3.773 3.960 -0.014 0.000 0.227 47 G C 0.470 175.402 174.900 0.053 0.000 0.986 47 G CA -0.454 44.687 45.100 0.068 0.000 0.651 47 G HN 1.038 nan 8.290 nan 0.000 0.523 48 G N -0.086 108.704 108.800 -0.016 0.000 2.343 48 G HA2 0.661 4.613 3.960 -0.014 0.000 0.254 48 G HA3 0.661 4.613 3.960 -0.014 0.000 0.254 48 G C 0.299 175.154 174.900 -0.075 0.000 1.277 48 G CA 0.705 45.791 45.100 -0.022 0.000 0.909 48 G HN 1.642 nan 8.290 nan 0.000 0.502 49 V N -0.695 119.212 119.914 -0.012 0.000 3.181 49 V HA 0.838 4.950 4.120 -0.014 0.000 0.308 49 V C 0.878 176.845 176.094 -0.212 0.000 1.214 49 V CA -0.584 61.647 62.300 -0.115 0.000 1.053 49 V CB 1.018 32.789 31.823 -0.088 0.000 1.069 49 V HN 2.412 nan 8.190 nan 0.000 0.441 50 A N 0.100 122.800 122.820 -0.199 0.000 2.665 50 A HA -0.258 4.053 4.320 -0.014 0.000 0.301 50 A C 0.856 178.400 177.584 -0.068 0.000 1.509 50 A CA 1.459 53.391 52.037 -0.175 0.000 0.789 50 A CB -1.713 17.067 19.000 -0.367 0.000 1.024 50 A HN 1.461 nan 8.150 nan 0.000 0.460 51 R N -0.841 119.606 120.500 -0.088 0.000 2.523 51 R HA 0.102 4.434 4.340 -0.014 0.000 0.281 51 R C 0.877 177.159 176.300 -0.030 0.000 0.969 51 R CA 1.157 57.172 56.100 -0.141 0.000 1.093 51 R CB -0.049 30.142 30.300 -0.182 0.000 0.917 51 R HN 1.042 nan 8.270 nan 0.000 0.408 52 W N 3.650 124.892 121.300 -0.097 0.000 3.008 52 W HA 0.497 5.149 4.660 -0.014 0.000 0.355 52 W C -0.110 176.385 176.519 -0.041 0.000 1.095 52 W CA 0.088 57.404 57.345 -0.049 0.000 1.738 52 W CB 0.361 29.818 29.460 -0.006 0.000 1.091 52 W HN 0.627 nan 8.180 nan 0.000 0.574 53 G N 0.266 108.905 108.800 -0.268 0.000 2.608 53 G HA2 0.148 4.100 3.960 -0.014 0.000 0.291 53 G HA3 0.148 4.100 3.960 -0.014 0.000 0.291 53 G C 0.124 174.895 174.900 -0.215 0.000 1.425 53 G CA -0.554 44.432 45.100 -0.190 0.000 0.787 53 G HN -0.091 nan 8.290 nan 0.000 0.484 54 Q N -0.350 119.366 119.800 -0.140 0.000 2.123 54 Q HA -0.002 4.330 4.340 -0.014 0.000 0.199 54 Q C 0.383 176.300 176.000 -0.139 0.000 0.966 54 Q CA 0.790 56.524 55.803 -0.115 0.000 0.845 54 Q CB 0.052 28.752 28.738 -0.063 0.000 0.907 54 Q HN 0.547 nan 8.270 nan 0.000 0.439 55 E N 1.170 121.260 120.200 -0.184 0.000 2.390 55 E HA 0.014 4.356 4.350 -0.014 0.000 0.261 55 E C 1.059 177.530 176.600 -0.214 0.000 1.076 55 E CA 0.175 56.472 56.400 -0.170 0.000 0.905 55 E CB 0.852 30.430 29.700 -0.203 0.000 0.984 55 E HN 0.152 nan 8.360 nan 0.000 0.427 56 S N 1.174 116.846 115.700 -0.047 0.000 2.555 56 S HA -0.127 4.335 4.470 -0.014 0.000 0.230 56 S C 1.125 175.796 174.600 0.118 0.000 0.978 56 S CA 0.561 58.775 58.200 0.023 0.000 0.934 56 S CB -0.352 62.880 63.200 0.053 0.000 0.766 56 S HN 0.629 nan 8.310 nan 0.000 0.533 57 H N 0.245 119.290 119.070 -0.041 0.000 2.507 57 H HA 0.443 4.991 4.556 -0.014 0.000 0.294 57 H C -0.454 174.644 175.328 -0.383 0.000 1.064 57 H CA -0.340 55.635 56.048 -0.121 0.000 1.138 57 H CB -0.390 29.397 29.762 0.043 0.000 1.515 57 H HN 0.521 nan 8.280 nan 0.000 0.547 58 E N 1.372 121.085 120.200 -0.813 0.000 3.588 58 E HA 0.248 4.590 4.350 -0.014 0.000 0.213 58 E C -1.256 174.261 176.600 -1.805 0.000 1.168 58 E CA -0.507 54.901 56.400 -1.654 0.000 1.254 58 E CB 0.385 29.240 29.700 -1.408 0.000 1.302 58 E HN 0.425 nan 8.360 nan 0.000 0.429 59 F N -2.321 116.736 119.950 -1.489 0.000 2.686 59 F HA 0.809 5.328 4.527 -0.013 0.000 0.311 59 F C 0.069 175.650 175.800 -0.365 0.000 1.128 59 F CA -1.232 56.262 58.000 -0.844 0.000 0.946 59 F CB 0.664 39.360 39.000 -0.508 0.000 1.336 59 F HN -0.060 nan 8.300 nan 0.000 0.457 60 G N 0.954 109.681 108.800 -0.121 0.000 2.753 60 G HA2 0.692 4.644 3.960 -0.014 0.000 0.285 60 G HA3 0.692 4.644 3.960 -0.014 0.000 0.285 60 G C -1.369 173.557 174.900 0.044 0.000 1.344 60 G CA -1.059 43.979 45.100 -0.104 0.000 1.050 60 G HN 0.564 nan 8.290 nan 0.000 0.532 61 M N 0.053 119.779 119.600 0.210 0.000 2.457 61 M HA 0.505 4.977 4.480 -0.014 0.000 0.300 61 M C -0.749 175.689 176.300 0.230 0.000 1.141 61 M CA -0.640 54.767 55.300 0.179 0.000 0.901 61 M CB 2.330 34.988 32.600 0.096 0.000 1.687 61 M HN 0.629 nan 8.290 nan 0.000 0.449 62 R N 1.997 122.586 120.500 0.149 0.000 2.797 62 R HA 0.391 4.722 4.340 -0.014 0.000 0.274 62 R C -1.230 175.119 176.300 0.082 0.000 1.652 62 R CA -0.221 55.952 56.100 0.122 0.000 1.175 62 R CB 1.124 31.504 30.300 0.133 0.000 1.283 62 R HN 0.813 nan 8.270 nan 0.000 0.513 63 R N 5.990 126.529 120.500 0.065 0.000 2.547 63 R HA 0.302 4.633 4.340 -0.014 0.000 0.280 63 R C -0.804 175.522 176.300 0.042 0.000 1.630 63 R CA -0.405 55.729 56.100 0.056 0.000 1.470 63 R CB 0.545 30.876 30.300 0.051 0.000 1.178 63 R HN 0.454 nan 8.270 nan 0.000 0.591 64 L N 2.043 123.289 121.223 0.038 0.000 2.436 64 L HA 0.382 4.713 4.340 -0.014 0.000 0.265 64 L C 0.779 177.683 176.870 0.056 0.000 1.168 64 L CA -0.473 54.380 54.840 0.020 0.000 0.815 64 L CB 1.003 43.056 42.059 -0.009 0.000 1.109 64 L HN 0.512 nan 8.230 nan 0.000 0.462 65 A N 1.376 124.225 122.820 0.050 0.000 2.488 65 A HA 0.445 4.757 4.320 -0.014 0.000 0.249 65 A C 1.147 178.966 177.584 0.392 0.000 1.083 65 A CA 0.463 52.576 52.037 0.126 0.000 0.768 65 A CB -0.079 18.843 19.000 -0.130 0.000 1.017 65 A HN 1.093 nan 8.150 nan 0.000 0.496 66 G N 1.802 110.909 108.800 0.512 0.000 2.205 66 G HA2 -0.241 3.711 3.960 -0.014 0.000 0.261 66 G HA3 -0.241 3.711 3.960 -0.014 0.000 0.261 66 G C 0.701 175.782 174.900 0.301 0.000 0.980 66 G CA 1.266 46.672 45.100 0.511 0.000 0.632 66 G HN 2.003 nan 8.290 nan 0.000 0.533 67 T N -1.880 112.805 114.554 0.218 0.000 2.726 67 T HA 0.653 4.995 4.350 -0.014 0.000 0.294 67 T C 1.813 176.591 174.700 0.130 0.000 1.013 67 T CA 0.598 62.783 62.100 0.141 0.000 0.996 67 T CB 1.395 70.321 68.868 0.096 0.000 1.016 67 T HN 1.398 nan 8.240 nan 0.000 0.529 68 A N 0.255 123.136 122.820 0.103 0.000 1.969 68 A HA 0.089 4.401 4.320 -0.014 0.000 0.218 68 A C 2.363 180.007 177.584 0.099 0.000 1.169 68 A CA 1.003 53.098 52.037 0.096 0.000 0.635 68 A CB -0.996 18.052 19.000 0.079 0.000 0.810 68 A HN 0.820 nan 8.150 nan 0.000 0.445 69 L N -0.741 120.540 121.223 0.098 0.000 2.156 69 L HA -0.147 4.184 4.340 -0.014 0.000 0.208 69 L C 2.352 179.258 176.870 0.059 0.000 1.095 69 L CA 1.480 56.383 54.840 0.104 0.000 0.770 69 L CB -0.338 41.789 42.059 0.112 0.000 0.914 69 L HN 0.451 nan 8.230 nan 0.000 0.439 70 D N 0.006 120.449 120.400 0.072 0.000 2.084 70 D HA -0.167 4.465 4.640 -0.014 0.000 0.194 70 D C 2.118 178.443 176.300 0.042 0.000 0.990 70 D CA 1.597 55.630 54.000 0.055 0.000 0.826 70 D CB -0.201 40.668 40.800 0.115 0.000 0.971 70 D HN 0.179 nan 8.370 nan 0.000 0.453 71 G N -0.152 108.724 108.800 0.126 0.000 2.432 71 G HA2 -0.154 3.797 3.960 -0.014 0.000 0.219 71 G HA3 -0.154 3.797 3.960 -0.014 0.000 0.219 71 G C 1.659 176.663 174.900 0.174 0.000 1.135 71 G CA 1.178 46.425 45.100 0.245 0.000 0.767 71 G HN 0.460 nan 8.290 nan 0.000 0.550 72 A N 0.196 123.038 122.820 0.036 0.000 1.929 72 A HA 0.135 4.447 4.320 -0.014 0.000 0.216 72 A C 2.255 179.587 177.584 -0.420 0.000 1.176 72 A CA 1.973 53.962 52.037 -0.080 0.000 0.628 72 A CB -0.289 18.714 19.000 0.005 0.000 0.816 72 A HN 0.384 nan 8.150 nan 0.000 0.444 73 M N 0.030 119.307 119.600 -0.539 0.000 2.175 73 M HA -0.045 4.427 4.480 -0.014 0.000 0.264 73 M C 1.934 178.157 176.300 -0.129 0.000 1.063 73 M CA 1.504 56.422 55.300 -0.637 0.000 1.119 73 M CB -0.464 31.906 32.600 -0.383 0.000 1.377 73 M HN 0.367 nan 8.290 nan 0.000 0.415 74 R N -0.032 120.443 120.500 -0.042 0.000 2.075 74 R HA -0.116 4.215 4.340 -0.014 0.000 0.232 74 R C 1.840 178.303 176.300 0.271 0.000 1.126 74 R CA 1.541 57.681 56.100 0.066 0.000 0.963 74 R CB -0.625 29.546 30.300 -0.216 0.000 0.858 74 R HN 0.397 nan 8.270 nan 0.000 0.435 75 D N -0.261 120.288 120.400 0.248 0.000 2.123 75 D HA -0.218 4.414 4.640 -0.014 0.000 0.196 75 D C 1.462 177.867 176.300 0.174 0.000 0.992 75 D CA 0.980 55.103 54.000 0.205 0.000 0.833 75 D CB -0.283 40.596 40.800 0.133 0.000 0.954 75 D HN 0.299 nan 8.370 nan 0.000 0.455 76 W N 0.308 121.584 121.300 -0.042 0.000 2.363 76 W HA -0.210 4.441 4.660 -0.014 0.000 0.296 76 W C 2.096 178.655 176.519 0.067 0.000 1.212 76 W CA 0.979 58.324 57.345 0.001 0.000 1.260 76 W CB -0.457 28.957 29.460 -0.077 0.000 1.131 76 W HN -0.083 nan 8.180 nan 0.000 0.530 77 F N 1.403 121.504 119.950 0.250 0.000 2.084 77 F HA -0.193 4.326 4.527 -0.013 0.000 0.296 77 F C 2.906 178.690 175.800 -0.026 0.000 1.111 77 F CA 2.844 60.928 58.000 0.140 0.000 1.224 77 F CB -1.163 37.921 39.000 0.140 0.000 0.991 77 F HN -0.082 nan 8.300 nan 0.000 0.471 78 T N -1.094 113.475 114.554 0.024 0.000 2.684 78 T HA -0.299 4.043 4.350 -0.014 0.000 0.267 78 T C 2.115 176.697 174.700 -0.195 0.000 1.036 78 T CA 1.857 63.904 62.100 -0.089 0.000 1.148 78 T CB -1.181 67.738 68.868 0.084 0.000 0.863 78 T HN 0.512 nan 8.240 nan 0.000 0.436 79 N N 0.531 119.126 118.700 -0.174 0.000 2.166 79 N HA -0.164 4.568 4.740 -0.014 0.000 0.186 79 N C 1.994 177.302 175.510 -0.337 0.000 1.019 79 N CA 1.319 54.237 53.050 -0.219 0.000 0.856 79 N CB -0.157 38.216 38.487 -0.190 0.000 0.993 79 N HN 0.477 nan 8.380 nan 0.000 0.426 80 E N 0.373 120.256 120.200 -0.528 0.000 2.152 80 E HA -0.076 4.266 4.350 -0.014 0.000 0.192 80 E C 2.129 178.485 176.600 -0.408 0.000 0.983 80 E CA 0.350 56.401 56.400 -0.582 0.000 0.818 80 E CB -0.152 28.981 29.700 -0.944 0.000 0.758 80 E HN 0.476 nan 8.360 nan 0.000 0.467 81 C N 0.701 119.725 119.300 -0.461 0.000 2.489 81 C HA -0.055 4.397 4.460 -0.014 0.000 0.279 81 C C 2.399 177.282 174.990 -0.178 0.000 1.266 81 C CA 0.415 59.231 59.018 -0.337 0.000 1.707 81 C CB -0.796 26.677 27.740 -0.444 0.000 2.059 81 C HN 0.483 nan 8.230 nan 0.000 0.481 82 E N 0.625 120.719 120.200 -0.176 0.000 2.331 82 E HA -0.190 4.152 4.350 -0.014 0.000 0.199 82 E C 2.092 178.628 176.600 -0.106 0.000 1.008 82 E CA 1.097 57.428 56.400 -0.115 0.000 0.843 82 E CB -0.221 29.419 29.700 -0.100 0.000 0.761 82 E HN 0.574 nan 8.360 nan 0.000 0.507 83 S N -0.023 115.594 115.700 -0.138 0.000 2.515 83 S HA -0.006 4.456 4.470 -0.014 0.000 0.231 83 S C 1.421 175.984 174.600 -0.062 0.000 0.987 83 S CA 0.450 58.582 58.200 -0.113 0.000 0.936 83 S CB 0.149 63.251 63.200 -0.163 0.000 0.766 83 S HN 0.172 nan 8.310 nan 0.000 0.528 84 L N 0.499 121.701 121.223 -0.035 0.000 2.808 84 L HA 0.413 4.745 4.340 -0.014 0.000 0.246 84 L C 0.975 177.874 176.870 0.047 0.000 1.153 84 L CA 0.200 55.075 54.840 0.058 0.000 0.956 84 L CB 0.420 42.562 42.059 0.139 0.000 1.270 84 L HN 0.332 nan 8.230 nan 0.000 0.528 85 G N 0.429 109.203 108.800 -0.044 0.000 2.470 85 G HA2 -0.233 3.719 3.960 -0.014 0.000 0.286 85 G HA3 -0.233 3.719 3.960 -0.014 0.000 0.286 85 G C -0.483 174.296 174.900 -0.203 0.000 1.115 85 G CA -0.060 44.967 45.100 -0.122 0.000 1.122 85 G HN 0.275 nan 8.290 nan 0.000 0.522 86 C N 0.583 119.817 119.300 -0.111 0.000 2.634 86 C HA 0.839 5.291 4.460 -0.014 0.000 0.313 86 C C 0.277 175.240 174.990 -0.045 0.000 1.198 86 C CA -1.263 57.712 59.018 -0.072 0.000 1.605 86 C CB 1.778 29.526 27.740 0.014 0.000 2.196 86 C HN 0.862 nan 8.230 nan 0.000 0.486 87 K N 3.128 123.520 120.400 -0.013 0.000 2.234 87 K HA 0.627 4.938 4.320 -0.014 0.000 0.277 87 K C -1.211 175.421 176.600 0.054 0.000 1.038 87 K CA -0.160 56.136 56.287 0.014 0.000 0.888 87 K CB 0.788 33.299 32.500 0.019 0.000 1.091 87 K HN 0.452 nan 8.250 nan 0.000 0.467 88 V N 6.031 125.978 119.914 0.055 0.000 2.275 88 V HA 0.293 4.405 4.120 -0.014 0.000 0.272 88 V C -0.424 175.749 176.094 0.133 0.000 1.028 88 V CA -0.845 61.514 62.300 0.099 0.000 0.810 88 V CB 0.598 32.465 31.823 0.073 0.000 1.043 88 V HN 0.715 nan 8.190 nan 0.000 0.453 89 K N 3.278 123.786 120.400 0.180 0.000 2.174 89 K HA 0.697 5.009 4.320 -0.014 0.000 0.275 89 K C -0.801 175.959 176.600 0.267 0.000 1.015 89 K CA -0.532 55.871 56.287 0.193 0.000 0.933 89 K CB 2.042 34.640 32.500 0.164 0.000 1.025 89 K HN 0.381 nan 8.250 nan 0.000 0.463 90 V N 3.526 123.577 119.914 0.229 0.000 2.531 90 V HA 0.071 4.183 4.120 -0.014 0.000 0.301 90 V C -0.272 175.959 176.094 0.228 0.000 1.034 90 V CA -0.923 61.526 62.300 0.248 0.000 0.865 90 V CB 1.560 33.550 31.823 0.277 0.000 0.995 90 V HN 0.926 nan 8.190 nan 0.000 0.424 91 D N 4.133 124.692 120.400 0.265 0.000 2.447 91 D HA 0.108 4.740 4.640 -0.014 0.000 0.265 91 D C 0.560 176.972 176.300 0.186 0.000 1.250 91 D CA -0.635 53.509 54.000 0.239 0.000 1.046 91 D CB 1.036 42.035 40.800 0.332 0.000 1.095 91 D HN 0.335 nan 8.370 nan 0.000 0.555 92 K N -0.838 119.667 120.400 0.175 0.000 2.569 92 K HA 0.185 4.497 4.320 -0.014 0.000 0.193 92 K C 0.447 177.161 176.600 0.190 0.000 1.026 92 K CA 0.092 56.488 56.287 0.183 0.000 1.093 92 K CB -0.078 32.530 32.500 0.180 0.000 0.849 92 K HN 0.357 nan 8.250 nan 0.000 0.509 93 I N -1.353 119.288 120.570 0.119 0.000 4.481 93 I HA 0.109 4.271 4.170 -0.014 0.000 0.353 93 I C 0.314 176.357 176.117 -0.124 0.000 1.296 93 I CA 0.578 61.888 61.300 0.016 0.000 1.228 93 I CB 0.986 39.004 38.000 0.030 0.000 1.725 93 I HN 0.305 nan 8.210 nan 0.000 0.608 94 G N 2.065 110.851 108.800 -0.024 0.000 2.159 94 G HA2 -0.231 3.721 3.960 -0.014 0.000 0.227 94 G HA3 -0.231 3.721 3.960 -0.014 0.000 0.227 94 G C -0.125 174.780 174.900 0.008 0.000 0.986 94 G CA -0.097 44.966 45.100 -0.063 0.000 0.651 94 G HN 0.383 nan 8.290 nan 0.000 0.523 95 N N 1.427 120.165 118.700 0.063 0.000 2.399 95 N HA 0.460 5.192 4.740 -0.014 0.000 0.259 95 N C 0.603 175.943 175.510 -0.282 0.000 1.160 95 N CA 0.473 53.436 53.050 -0.146 0.000 0.946 95 N CB 0.485 38.927 38.487 -0.075 0.000 1.156 95 N HN 0.461 nan 8.380 nan 0.000 0.489 96 M N 1.899 121.255 119.600 -0.406 0.000 2.249 96 M HA 0.373 4.845 4.480 -0.014 0.000 0.351 96 M C -0.608 175.377 176.300 -0.525 0.000 1.180 96 M CA -0.033 55.127 55.300 -0.234 0.000 1.127 96 M CB 0.589 33.132 32.600 -0.095 0.000 1.546 96 M HN 0.233 nan 8.290 nan 0.000 0.461 97 F N 1.369 121.308 119.950 -0.019 0.000 2.500 97 F HA 0.502 5.020 4.527 -0.015 0.000 0.349 97 F C 0.059 175.897 175.800 0.063 0.000 1.127 97 F CA -0.956 57.033 58.000 -0.019 0.000 0.998 97 F CB 1.304 40.277 39.000 -0.046 0.000 1.237 97 F HN 0.640 nan 8.300 nan 0.000 0.439 98 A N 3.700 126.656 122.820 0.227 0.000 2.922 98 A HA 0.510 4.822 4.320 -0.014 0.000 0.298 98 A C -0.251 177.446 177.584 0.189 0.000 1.588 98 A CA -0.440 51.694 52.037 0.162 0.000 1.288 98 A CB -0.709 18.336 19.000 0.075 0.000 1.130 98 A HN 0.504 nan 8.150 nan 0.000 0.557 99 V N 3.240 123.263 119.914 0.182 0.000 2.381 99 V HA -0.011 4.101 4.120 -0.014 0.000 0.257 99 V C 0.005 176.204 176.094 0.175 0.000 1.057 99 V CA -0.035 62.375 62.300 0.183 0.000 1.013 99 V CB -1.007 30.898 31.823 0.136 0.000 1.069 99 V HN 0.670 nan 8.190 nan 0.000 0.484 100 Y N 8.672 129.035 120.300 0.106 0.000 2.359 100 Y HA 0.355 4.897 4.550 -0.014 0.000 0.334 100 Y C -1.751 174.211 175.900 0.103 0.000 1.058 100 Y CA -2.519 55.643 58.100 0.103 0.000 1.244 100 Y CB 1.268 39.815 38.460 0.145 0.000 1.187 100 Y HN 0.464 nan 8.280 nan 0.000 0.510 101 P HA 0.069 nan 4.420 nan 0.000 0.267 101 P C -0.015 177.318 177.300 0.055 0.000 1.209 101 P CA 0.303 63.363 63.100 -0.066 0.000 0.763 101 P CB 1.111 32.700 31.700 -0.185 0.000 0.816 102 G N 3.173 112.023 108.800 0.083 0.000 2.928 102 G HA2 0.127 4.079 3.960 -0.014 0.000 0.163 102 G HA3 0.127 4.079 3.960 -0.014 0.000 0.163 102 G C 0.642 175.512 174.900 -0.051 0.000 1.573 102 G CA -0.083 45.048 45.100 0.052 0.000 1.084 102 G HN 0.448 nan 8.290 nan 0.000 0.569 103 K N -1.396 118.923 120.400 -0.135 0.000 2.436 103 K HA 0.197 4.509 4.320 -0.014 0.000 0.198 103 K C 1.257 177.753 176.600 -0.174 0.000 1.174 103 K CA 0.005 56.188 56.287 -0.174 0.000 0.951 103 K CB 0.424 32.779 32.500 -0.242 0.000 1.040 103 K HN 0.326 nan 8.250 nan 0.000 0.536 104 N N -0.548 118.022 118.700 -0.216 0.000 2.145 104 N HA 0.091 4.823 4.740 -0.014 0.000 0.219 104 N C 0.678 176.212 175.510 0.040 0.000 1.266 104 N CA 0.726 53.700 53.050 -0.127 0.000 0.902 104 N CB 1.952 40.289 38.487 -0.250 0.000 1.078 104 N HN 0.254 nan 8.380 nan 0.000 0.513 105 G N 1.556 110.401 108.800 0.075 0.000 2.720 105 G HA2 -0.285 3.667 3.960 -0.014 0.000 0.293 105 G HA3 -0.285 3.667 3.960 -0.014 0.000 0.293 105 G C 0.482 175.516 174.900 0.224 0.000 1.256 105 G CA 0.433 45.612 45.100 0.131 0.000 0.974 105 G HN 0.804 nan 8.290 nan 0.000 0.551 106 G N 0.067 108.971 108.800 0.174 0.000 2.682 106 G HA2 0.091 4.043 3.960 -0.014 0.000 0.256 106 G HA3 0.091 4.043 3.960 -0.014 0.000 0.256 106 G C -0.027 174.952 174.900 0.132 0.000 1.333 106 G CA 0.801 45.990 45.100 0.150 0.000 0.904 106 G HN 1.407 nan 8.290 nan 0.000 0.569 107 K N 1.925 122.392 120.400 0.111 0.000 2.368 107 K HA 0.342 4.653 4.320 -0.014 0.000 0.282 107 K C -1.676 175.019 176.600 0.158 0.000 1.035 107 K CA -1.566 54.794 56.287 0.121 0.000 0.973 107 K CB 0.774 33.344 32.500 0.118 0.000 0.957 107 K HN 0.425 nan 8.250 nan 0.000 0.474 108 P HA 0.047 nan 4.420 nan 0.000 0.271 108 P C -0.598 176.843 177.300 0.235 0.000 1.218 108 P CA -0.267 62.957 63.100 0.207 0.000 0.780 108 P CB 0.373 32.189 31.700 0.192 0.000 0.901 109 T N 1.943 116.657 114.554 0.266 0.000 2.738 109 T HA 0.390 4.732 4.350 -0.014 0.000 0.294 109 T C 0.540 175.387 174.700 0.245 0.000 0.914 109 T CA -0.014 62.248 62.100 0.271 0.000 1.052 109 T CB -0.129 68.930 68.868 0.317 0.000 0.897 109 T HN 0.447 nan 8.240 nan 0.000 0.522 110 A N 3.330 126.304 122.820 0.257 0.000 2.354 110 A HA 0.650 4.962 4.320 -0.014 0.000 0.269 110 A C 0.638 178.369 177.584 0.245 0.000 1.109 110 A CA -0.542 51.661 52.037 0.277 0.000 0.800 110 A CB 0.592 19.800 19.000 0.346 0.000 1.045 110 A HN 0.678 nan 8.150 nan 0.000 0.489 111 T N 0.906 115.566 114.554 0.178 0.000 3.348 111 T HA 0.594 4.936 4.350 -0.014 0.000 0.328 111 T C -0.337 174.402 174.700 0.066 0.000 0.913 111 T CA 0.424 62.566 62.100 0.070 0.000 1.043 111 T CB -0.084 68.810 68.868 0.044 0.000 1.021 111 T HN 1.910 nan 8.240 nan 0.000 0.461 112 G N 1.824 110.675 108.800 0.085 0.000 2.600 112 G HA2 0.679 4.631 3.960 -0.014 0.000 0.293 112 G HA3 0.679 4.631 3.960 -0.014 0.000 0.293 112 G C -0.977 174.073 174.900 0.250 0.000 1.408 112 G CA 0.007 45.169 45.100 0.103 0.000 0.782 112 G HN 0.739 nan 8.290 nan 0.000 0.482 113 S N -1.863 113.950 115.700 0.187 0.000 4.297 113 S HA 0.694 5.156 4.470 -0.014 0.000 0.226 113 S C -1.029 173.769 174.600 0.331 0.000 1.134 113 S CA 0.212 58.604 58.200 0.319 0.000 1.591 113 S CB 0.279 63.564 63.200 0.142 0.000 1.393 113 S HN 1.218 nan 8.310 nan 0.000 0.727 114 H N -0.644 118.495 119.070 0.116 0.000 2.895 114 H HA 0.651 5.199 4.556 -0.012 0.000 0.373 114 H C -0.216 175.088 175.328 -0.040 0.000 1.174 114 H CA -0.871 55.206 56.048 0.049 0.000 1.144 114 H CB 0.887 30.710 29.762 0.103 0.000 1.793 114 H HN 0.327 nan 8.280 nan 0.000 0.551 115 L N 0.159 121.366 121.223 -0.028 0.000 2.556 115 L HA 0.080 4.412 4.340 -0.014 0.000 0.226 115 L C 0.187 177.048 176.870 -0.016 0.000 1.089 115 L CA -0.013 54.767 54.840 -0.101 0.000 0.864 115 L CB 0.156 42.119 42.059 -0.160 0.000 1.067 115 L HN 0.765 nan 8.230 nan 0.000 0.477 116 D N 0.811 121.256 120.400 0.076 0.000 2.350 116 D HA 0.097 4.729 4.640 -0.014 0.000 0.249 116 D C 0.133 176.505 176.300 0.119 0.000 1.119 116 D CA -0.041 54.001 54.000 0.071 0.000 0.886 116 D CB 1.563 42.369 40.800 0.011 0.000 1.195 116 D HN -0.041 nan 8.370 nan 0.000 0.437 117 T N -0.525 114.060 114.554 0.052 0.000 2.937 117 T HA 0.275 4.617 4.350 -0.014 0.000 0.283 117 T C 0.503 175.190 174.700 -0.021 0.000 1.012 117 T CA -0.908 61.210 62.100 0.031 0.000 0.997 117 T CB 1.725 70.609 68.868 0.027 0.000 1.136 117 T HN 0.337 nan 8.240 nan 0.000 0.551 118 Q N 0.419 120.169 119.800 -0.082 0.000 2.526 118 Q HA 0.227 4.559 4.340 -0.014 0.000 0.207 118 Q C -1.569 174.397 176.000 -0.057 0.000 1.078 118 Q CA -1.758 53.970 55.803 -0.124 0.000 1.041 118 Q CB -0.035 28.554 28.738 -0.249 0.000 1.228 118 Q HN 0.458 nan 8.270 nan 0.000 0.603 119 P HA -0.123 nan 4.420 nan 0.000 0.215 119 P C -0.620 176.677 177.300 -0.006 0.000 1.157 119 P CA 1.476 64.561 63.100 -0.025 0.000 0.868 119 P CB 0.315 31.993 31.700 -0.037 0.000 0.788 120 E N -0.866 119.278 120.200 -0.093 0.000 2.437 120 E HA 0.589 4.931 4.350 -0.014 0.000 0.238 120 E C -0.828 175.632 176.600 -0.233 0.000 0.969 120 E CA -0.458 55.782 56.400 -0.265 0.000 0.759 120 E CB 1.213 30.557 29.700 -0.593 0.000 1.283 120 E HN 0.028 nan 8.360 nan 0.000 0.416 121 A N 1.673 124.502 122.820 0.014 0.000 2.387 121 A HA 0.913 5.225 4.320 -0.014 0.000 0.298 121 A C 0.352 178.040 177.584 0.172 0.000 1.165 121 A CA -0.411 51.660 52.037 0.056 0.000 0.814 121 A CB 1.212 20.221 19.000 0.016 0.000 1.357 121 A HN 0.511 nan 8.150 nan 0.000 0.443 122 G N -0.966 107.916 108.800 0.137 0.000 2.557 122 G HA2 0.468 4.420 3.960 -0.014 0.000 0.292 122 G HA3 0.468 4.420 3.960 -0.014 0.000 0.292 122 G C 0.108 174.995 174.900 -0.022 0.000 1.237 122 G CA -0.505 44.673 45.100 0.130 0.000 0.978 122 G HN 0.683 nan 8.290 nan 0.000 0.498 123 K N -0.923 119.333 120.400 -0.241 0.000 2.444 123 K HA 0.127 4.439 4.320 -0.014 0.000 0.193 123 K C 0.688 176.918 176.600 -0.618 0.000 1.024 123 K CA 0.662 56.622 56.287 -0.546 0.000 1.077 123 K CB 0.210 32.162 32.500 -0.913 0.000 0.833 123 K HN 0.594 nan 8.250 nan 0.000 0.517 124 Y N -0.238 120.031 120.300 -0.052 0.000 2.526 124 Y HA 0.103 4.645 4.550 -0.014 0.000 0.265 124 Y C 0.527 176.327 175.900 -0.167 0.000 1.092 124 Y CA -0.923 57.118 58.100 -0.098 0.000 1.277 124 Y CB 0.392 38.804 38.460 -0.080 0.000 1.228 124 Y HN -0.073 nan 8.280 nan 0.000 0.507 125 D N 0.836 121.248 120.400 0.020 0.000 2.363 125 D HA 0.228 4.860 4.640 -0.014 0.000 0.263 125 D C 1.300 177.446 176.300 -0.256 0.000 1.258 125 D CA 1.707 55.682 54.000 -0.042 0.000 0.907 125 D CB 0.709 41.634 40.800 0.208 0.000 1.107 125 D HN 0.545 nan 8.370 nan 0.000 0.495 126 G N 4.212 112.657 108.800 -0.592 0.000 2.779 126 G HA2 -0.399 3.553 3.960 -0.014 0.000 0.230 126 G HA3 -0.399 3.553 3.960 -0.014 0.000 0.230 126 G C 1.491 176.092 174.900 -0.497 0.000 1.243 126 G CA 0.472 45.054 45.100 -0.863 0.000 0.769 126 G HN 0.578 nan 8.290 nan 0.000 0.516 127 I N 1.042 121.401 120.570 -0.352 0.000 2.423 127 I HA -0.090 4.072 4.170 -0.014 0.000 0.254 127 I C 2.612 178.635 176.117 -0.157 0.000 1.151 127 I CA 1.574 62.741 61.300 -0.222 0.000 1.421 127 I CB -0.348 37.542 38.000 -0.183 0.000 1.079 127 I HN 0.375 nan 8.210 nan 0.000 0.431 128 L N 1.281 122.416 121.223 -0.145 0.000 2.027 128 L HA -0.013 4.319 4.340 -0.014 0.000 0.206 128 L C 2.406 179.240 176.870 -0.060 0.000 1.074 128 L CA 2.208 57.007 54.840 -0.068 0.000 0.745 128 L CB -1.201 40.834 42.059 -0.040 0.000 0.898 128 L HN 0.158 nan 8.230 nan 0.000 0.433 129 G N -0.821 107.922 108.800 -0.096 0.000 2.462 129 G HA2 -0.193 3.759 3.960 -0.014 0.000 0.220 129 G HA3 -0.193 3.759 3.960 -0.014 0.000 0.220 129 G C 1.426 176.315 174.900 -0.017 0.000 1.121 129 G CA 1.385 46.466 45.100 -0.030 0.000 0.758 129 G HN 0.498 nan 8.290 nan 0.000 0.559 130 V N -1.460 118.414 119.914 -0.066 0.000 2.379 130 V HA 0.117 4.229 4.120 -0.014 0.000 0.243 130 V C 2.527 178.643 176.094 0.036 0.000 1.035 130 V CA 0.567 62.820 62.300 -0.077 0.000 1.035 130 V CB -0.639 31.030 31.823 -0.255 0.000 0.673 130 V HN 0.101 nan 8.190 nan 0.000 0.457 131 L N 1.338 122.578 121.223 0.029 0.000 2.217 131 L HA 0.194 4.526 4.340 -0.014 0.000 0.211 131 L C 2.790 179.677 176.870 0.029 0.000 1.107 131 L CA 1.747 56.639 54.840 0.087 0.000 0.783 131 L CB -1.785 40.301 42.059 0.045 0.000 0.919 131 L HN 0.406 nan 8.230 nan 0.000 0.442 132 A N -0.232 122.597 122.820 0.015 0.000 1.930 132 A HA -0.006 4.305 4.320 -0.014 0.000 0.217 132 A C 2.452 180.103 177.584 0.112 0.000 1.175 132 A CA 1.393 53.452 52.037 0.037 0.000 0.627 132 A CB -1.102 17.978 19.000 0.135 0.000 0.815 132 A HN 0.400 nan 8.150 nan 0.000 0.443 133 G N -0.299 108.554 108.800 0.088 0.000 2.422 133 G HA2 -0.187 3.765 3.960 -0.014 0.000 0.218 133 G HA3 -0.187 3.765 3.960 -0.014 0.000 0.218 133 G C 1.577 176.507 174.900 0.051 0.000 1.146 133 G CA 0.972 46.115 45.100 0.072 0.000 0.769 133 G HN 0.433 nan 8.290 nan 0.000 0.547 134 L N -0.155 121.128 121.223 0.101 0.000 2.056 134 L HA -0.003 4.329 4.340 -0.014 0.000 0.207 134 L C 2.852 179.699 176.870 -0.038 0.000 1.078 134 L CA 1.153 56.030 54.840 0.062 0.000 0.749 134 L CB -0.157 42.006 42.059 0.174 0.000 0.901 134 L HN 0.189 nan 8.230 nan 0.000 0.433 135 E N -0.587 119.571 120.200 -0.070 0.000 2.204 135 E HA -0.166 4.176 4.350 -0.014 0.000 0.194 135 E C 2.158 178.760 176.600 0.003 0.000 0.989 135 E CA 1.047 57.329 56.400 -0.197 0.000 0.824 135 E CB 0.104 29.412 29.700 -0.652 0.000 0.756 135 E HN 0.387 nan 8.360 nan 0.000 0.477 136 V N 1.423 121.391 119.914 0.091 0.000 2.295 136 V HA -0.261 3.851 4.120 -0.014 0.000 0.246 136 V C 2.461 178.120 176.094 -0.724 0.000 1.049 136 V CA 1.384 63.553 62.300 -0.218 0.000 1.024 136 V CB -0.465 31.177 31.823 -0.303 0.000 0.648 136 V HN 0.259 nan 8.190 nan 0.000 0.447 137 L N -0.786 120.118 121.223 -0.532 0.000 2.093 137 L HA -0.130 4.202 4.340 -0.014 0.000 0.208 137 L C 2.764 179.463 176.870 -0.285 0.000 1.085 137 L CA 1.484 55.976 54.840 -0.579 0.000 0.755 137 L CB -0.694 41.135 42.059 -0.383 0.000 0.904 137 L HN 0.224 nan 8.230 nan 0.000 0.435 138 R N 0.014 120.425 120.500 -0.149 0.000 2.091 138 R HA -0.142 4.190 4.340 -0.014 0.000 0.238 138 R C 2.371 178.675 176.300 0.006 0.000 1.136 138 R CA 2.081 58.155 56.100 -0.043 0.000 0.959 138 R CB -0.521 29.751 30.300 -0.048 0.000 0.856 138 R HN 0.514 nan 8.270 nan 0.000 0.437 139 T N -1.278 113.274 114.554 -0.004 0.000 2.985 139 T HA -0.013 4.329 4.350 -0.014 0.000 0.266 139 T C 1.599 176.407 174.700 0.181 0.000 1.076 139 T CA 0.411 62.558 62.100 0.079 0.000 1.135 139 T CB -0.202 68.744 68.868 0.130 0.000 0.890 139 T HN -0.065 nan 8.240 nan 0.000 0.480 140 F N 3.665 123.630 119.950 0.025 0.000 2.011 140 F HA -0.043 4.475 4.527 -0.014 0.000 0.296 140 F C 2.399 178.276 175.800 0.127 0.000 1.144 140 F CA 1.513 59.562 58.000 0.081 0.000 1.185 140 F CB -1.069 37.917 39.000 -0.023 0.000 0.961 140 F HN 0.281 nan 8.300 nan 0.000 0.485 141 K N -0.010 120.592 120.400 0.337 0.000 2.147 141 K HA -0.168 4.144 4.320 -0.014 0.000 0.205 141 K C 1.423 178.123 176.600 0.167 0.000 1.049 141 K CA 1.911 58.345 56.287 0.244 0.000 0.936 141 K CB -0.844 31.803 32.500 0.246 0.000 0.722 141 K HN 0.082 nan 8.250 nan 0.000 0.446 142 D N 1.015 121.503 120.400 0.147 0.000 2.123 142 D HA -0.129 4.503 4.640 -0.014 0.000 0.196 142 D C 0.696 177.058 176.300 0.104 0.000 0.992 142 D CA 1.276 55.339 54.000 0.104 0.000 0.833 142 D CB -0.287 40.563 40.800 0.084 0.000 0.954 142 D HN 0.459 nan 8.370 nan 0.000 0.455 143 N N 0.368 119.149 118.700 0.136 0.000 2.276 143 N HA 0.037 4.769 4.740 -0.014 0.000 0.212 143 N C -0.475 175.130 175.510 0.157 0.000 1.127 143 N CA -0.096 53.026 53.050 0.120 0.000 0.834 143 N CB 0.221 38.758 38.487 0.083 0.000 1.014 143 N HN -0.005 nan 8.380 nan 0.000 0.491 144 N N -0.859 117.931 118.700 0.150 0.000 2.732 144 N HA -0.291 4.440 4.740 -0.014 0.000 0.250 144 N C -0.857 174.741 175.510 0.146 0.000 1.097 144 N CA 0.833 53.960 53.050 0.127 0.000 0.812 144 N CB -1.714 36.824 38.487 0.085 0.000 1.148 144 N HN 0.417 nan 8.380 nan 0.000 0.572 145 Y N 1.185 121.497 120.300 0.020 0.000 2.436 145 Y HA 0.340 4.882 4.550 -0.014 0.000 0.336 145 Y C 0.263 176.074 175.900 -0.149 0.000 1.049 145 Y CA -0.314 57.736 58.100 -0.083 0.000 1.294 145 Y CB 0.839 39.238 38.460 -0.102 0.000 1.179 145 Y HN -0.082 nan 8.280 nan 0.000 0.520 146 V N 9.172 128.828 119.914 -0.430 0.000 2.378 146 V HA 0.320 4.432 4.120 -0.014 0.000 0.288 146 V C -2.005 173.767 176.094 -0.536 0.000 1.016 146 V CA -1.960 60.143 62.300 -0.328 0.000 0.840 146 V CB 1.293 33.011 31.823 -0.175 0.000 0.994 146 V HN 0.709 nan 8.190 nan 0.000 0.431 147 P HA 0.182 nan 4.420 nan 0.000 0.269 147 P C 0.085 177.230 177.300 -0.259 0.000 1.215 147 P CA -0.116 62.757 63.100 -0.379 0.000 0.780 147 P CB 1.020 32.628 31.700 -0.153 0.000 0.898 148 N N 0.161 118.712 118.700 -0.249 0.000 2.216 148 N HA -0.063 4.669 4.740 -0.014 0.000 0.183 148 N C 0.038 175.160 175.510 -0.646 0.000 1.017 148 N CA 1.407 54.203 53.050 -0.424 0.000 0.861 148 N CB -0.415 37.837 38.487 -0.392 0.000 0.986 148 N HN 0.518 nan 8.380 nan 0.000 0.428 149 Y N -0.381 119.930 120.300 0.018 0.000 2.634 149 Y HA 0.340 4.882 4.550 -0.013 0.000 0.340 149 Y C -0.401 175.567 175.900 0.113 0.000 1.058 149 Y CA -1.520 56.619 58.100 0.064 0.000 1.081 149 Y CB 0.776 39.288 38.460 0.086 0.000 1.295 149 Y HN -0.254 nan 8.280 nan 0.000 0.487 150 D N 1.084 121.663 120.400 0.297 0.000 2.487 150 D HA 0.261 4.893 4.640 -0.014 0.000 0.243 150 D C -0.974 175.503 176.300 0.295 0.000 1.154 150 D CA 0.606 54.762 54.000 0.260 0.000 0.876 150 D CB 0.708 41.634 40.800 0.210 0.000 1.161 150 D HN 0.160 nan 8.370 nan 0.000 0.478 151 V N 3.436 123.543 119.914 0.323 0.000 2.407 151 V HA 0.336 4.448 4.120 -0.014 0.000 0.291 151 V C 0.266 176.532 176.094 0.286 0.000 1.018 151 V CA -0.874 61.611 62.300 0.308 0.000 0.842 151 V CB 1.212 33.250 31.823 0.359 0.000 0.996 151 V HN 0.845 nan 8.190 nan 0.000 0.426 152 C N 4.527 123.973 119.300 0.244 0.000 2.562 152 C HA 0.945 5.396 4.460 -0.014 0.000 0.332 152 C C -0.363 174.740 174.990 0.189 0.000 1.201 152 C CA -0.655 58.502 59.018 0.233 0.000 1.803 152 C CB 1.432 29.325 27.740 0.255 0.000 2.328 152 C HN 0.577 nan 8.230 nan 0.000 0.500 153 V N 2.911 122.932 119.914 0.179 0.000 2.448 153 V HA 0.572 4.684 4.120 -0.014 0.000 0.295 153 V C -0.018 176.108 176.094 0.053 0.000 1.025 153 V CA -0.290 62.100 62.300 0.150 0.000 0.859 153 V CB 1.274 33.241 31.823 0.240 0.000 0.988 153 V HN 0.885 nan 8.190 nan 0.000 0.431 154 V N 5.040 124.869 119.914 -0.142 0.000 2.612 154 V HA 0.527 4.639 4.120 -0.014 0.000 0.301 154 V C -0.169 175.589 176.094 -0.560 0.000 1.046 154 V CA -0.637 61.312 62.300 -0.584 0.000 0.946 154 V CB 2.037 33.281 31.823 -0.966 0.000 1.003 154 V HN 0.600 nan 8.190 nan 0.000 0.459 155 V N 2.920 122.415 119.914 -0.700 0.000 2.349 155 V HA 0.339 4.451 4.120 -0.014 0.000 0.284 155 V C -0.773 175.032 176.094 -0.482 0.000 1.014 155 V CA -0.706 61.288 62.300 -0.510 0.000 0.826 155 V CB 0.960 32.486 31.823 -0.496 0.000 1.009 155 V HN 0.891 nan 8.190 nan 0.000 0.431 156 W N 3.685 124.890 121.300 -0.160 0.000 2.238 156 W HA 0.456 5.111 4.660 -0.009 0.000 0.321 156 W C 0.207 176.736 176.519 0.017 0.000 1.293 156 W CA -0.448 56.845 57.345 -0.086 0.000 1.204 156 W CB 0.565 29.992 29.460 -0.054 0.000 1.167 156 W HN 0.540 nan 8.180 nan 0.000 0.553 157 F N 4.515 124.572 119.950 0.178 0.000 2.443 157 F HA 0.115 4.634 4.527 -0.014 0.000 0.353 157 F C 0.912 176.786 175.800 0.124 0.000 1.101 157 F CA -0.740 57.322 58.000 0.104 0.000 1.226 157 F CB 0.350 39.398 39.000 0.080 0.000 1.140 157 F HN 0.494 nan 8.300 nan 0.000 0.557 158 N N 3.696 121.862 118.700 -0.890 0.000 2.652 158 N HA -0.245 4.487 4.740 -0.014 0.000 0.281 158 N C 0.276 175.607 175.510 -0.297 0.000 1.084 158 N CA 0.726 53.348 53.050 -0.713 0.000 0.775 158 N CB -0.745 37.109 38.487 -1.056 0.000 0.923 158 N HN 0.837 nan 8.380 nan 0.000 0.558 159 A N 1.491 124.168 122.820 -0.238 0.000 2.016 159 A HA -0.038 4.274 4.320 -0.014 0.000 0.217 159 A C 1.872 179.293 177.584 -0.271 0.000 1.162 159 A CA 1.041 52.902 52.037 -0.294 0.000 0.662 159 A CB -0.003 18.642 19.000 -0.593 0.000 0.812 159 A HN 0.498 nan 8.150 nan 0.000 0.450 160 E N -0.643 119.421 120.200 -0.228 0.000 2.112 160 E HA 0.062 4.404 4.350 -0.014 0.000 0.190 160 E C 1.431 177.992 176.600 -0.066 0.000 0.979 160 E CA 0.835 57.153 56.400 -0.136 0.000 0.814 160 E CB -0.628 29.008 29.700 -0.107 0.000 0.762 160 E HN 0.739 nan 8.360 nan 0.000 0.460 161 G N 0.836 109.604 108.800 -0.055 0.000 2.273 161 G HA2 -0.283 3.669 3.960 -0.014 0.000 0.280 161 G HA3 -0.283 3.669 3.960 -0.014 0.000 0.280 161 G C 0.900 175.808 174.900 0.013 0.000 1.047 161 G CA 0.862 45.970 45.100 0.012 0.000 0.869 161 G HN 0.471 nan 8.290 nan 0.000 0.502 162 A N -0.417 122.387 122.820 -0.026 0.000 1.901 162 A HA 0.410 4.722 4.320 -0.014 0.000 0.210 162 A C 2.126 179.659 177.584 -0.085 0.000 1.208 162 A CA 1.760 53.769 52.037 -0.047 0.000 0.644 162 A CB -0.134 18.826 19.000 -0.066 0.000 0.863 162 A HN 0.542 nan 8.150 nan 0.000 0.454 163 R N -1.653 118.756 120.500 -0.152 0.000 2.093 163 R HA 0.088 4.420 4.340 -0.014 0.000 0.224 163 R C -0.718 175.268 176.300 -0.523 0.000 1.101 163 R CA 0.731 56.611 56.100 -0.366 0.000 0.979 163 R CB -0.113 29.889 30.300 -0.498 0.000 0.877 163 R HN 0.380 nan 8.270 nan 0.000 0.441 164 F N -0.292 119.676 119.950 0.030 0.000 2.444 164 F HA 0.448 4.966 4.527 -0.015 0.000 0.342 164 F C 0.422 176.244 175.800 0.037 0.000 1.121 164 F CA -1.146 56.888 58.000 0.057 0.000 0.997 164 F CB 1.919 40.978 39.000 0.100 0.000 1.130 164 F HN -0.049 nan 8.300 nan 0.000 0.454 165 A N 4.215 127.157 122.820 0.203 0.000 2.810 165 A HA 0.314 4.625 4.320 -0.014 0.000 0.247 165 A C 0.403 178.062 177.584 0.125 0.000 1.576 165 A CA 0.076 52.190 52.037 0.128 0.000 1.294 165 A CB -0.740 18.322 19.000 0.104 0.000 0.976 165 A HN 0.768 nan 8.150 nan 0.000 0.631 166 R N 0.169 120.744 120.500 0.125 0.000 2.508 166 R HA 0.356 4.687 4.340 -0.014 0.000 0.283 166 R C -0.574 175.763 176.300 0.061 0.000 1.120 166 R CA 0.064 56.218 56.100 0.092 0.000 0.958 166 R CB 1.189 31.541 30.300 0.087 0.000 1.215 166 R HN 0.342 nan 8.270 nan 0.000 0.427 167 S N 1.687 117.411 115.700 0.040 0.000 2.601 167 S HA 0.256 4.718 4.470 -0.014 0.000 0.271 167 S C 0.413 174.998 174.600 -0.024 0.000 1.305 167 S CA -0.135 58.064 58.200 -0.002 0.000 1.022 167 S CB 1.238 64.442 63.200 0.007 0.000 0.940 167 S HN 0.933 nan 8.310 nan 0.000 0.525 168 C N 1.405 120.664 119.300 -0.069 0.000 4.235 168 C HA -0.141 4.311 4.460 -0.014 0.000 0.301 168 C C 1.796 176.777 174.990 -0.016 0.000 1.409 168 C CA 0.617 59.591 59.018 -0.074 0.000 2.024 168 C CB -3.443 24.241 27.740 -0.093 0.000 1.286 168 C HN 1.065 nan 8.230 nan 0.000 0.746 169 T N 0.238 114.799 114.554 0.012 0.000 2.720 169 T HA -0.092 4.249 4.350 -0.014 0.000 0.268 169 T C 1.991 176.802 174.700 0.185 0.000 1.037 169 T CA 2.082 64.238 62.100 0.093 0.000 1.144 169 T CB -0.127 68.811 68.868 0.116 0.000 0.864 169 T HN 0.897 nan 8.240 nan 0.000 0.444 170 G N 1.662 110.612 108.800 0.250 0.000 2.434 170 G HA2 -0.191 3.761 3.960 -0.014 0.000 0.214 170 G HA3 -0.191 3.761 3.960 -0.014 0.000 0.214 170 G C 1.919 177.057 174.900 0.397 0.000 1.202 170 G CA 1.167 46.513 45.100 0.408 0.000 0.788 170 G HN 0.618 nan 8.290 nan 0.000 0.539 171 S N 0.264 116.039 115.700 0.124 0.000 2.423 171 S HA -0.068 4.394 4.470 -0.014 0.000 0.231 171 S C 2.335 176.956 174.600 0.034 0.000 1.014 171 S CA 1.545 59.553 58.200 -0.321 0.000 0.965 171 S CB -0.295 62.209 63.200 -1.160 0.000 0.785 171 S HN 0.263 nan 8.310 nan 0.000 0.495 172 S N 0.966 116.701 115.700 0.058 0.000 2.368 172 S HA -0.051 4.411 4.470 -0.014 0.000 0.225 172 S C 1.817 176.495 174.600 0.131 0.000 1.030 172 S CA 1.358 59.605 58.200 0.079 0.000 0.999 172 S CB -0.528 62.702 63.200 0.050 0.000 0.844 172 S HN 0.460 nan 8.310 nan 0.000 0.459 173 V N -0.168 119.840 119.914 0.158 0.000 2.323 173 V HA -0.088 4.024 4.120 -0.014 0.000 0.244 173 V C 1.867 178.070 176.094 0.182 0.000 1.041 173 V CA 1.664 64.029 62.300 0.109 0.000 1.025 173 V CB -0.880 30.988 31.823 0.076 0.000 0.656 173 V HN 0.768 nan 8.190 nan 0.000 0.451 174 W N 0.687 122.089 121.300 0.170 0.000 2.364 174 W HA -0.219 4.432 4.660 -0.014 0.000 0.281 174 W C 2.660 179.372 176.519 0.321 0.000 1.219 174 W CA 1.685 59.202 57.345 0.286 0.000 1.220 174 W CB -0.027 29.725 29.460 0.487 0.000 1.127 174 W HN 0.169 nan 8.180 nan 0.000 0.556 175 S N -1.678 114.239 115.700 0.362 0.000 2.496 175 S HA -0.070 4.391 4.470 -0.014 0.000 0.224 175 S C 0.746 175.514 174.600 0.280 0.000 0.996 175 S CA 0.999 59.334 58.200 0.226 0.000 0.927 175 S CB -0.419 62.926 63.200 0.242 0.000 0.774 175 S HN 0.516 nan 8.310 nan 0.000 0.524 176 H N -0.854 118.275 119.070 0.098 0.000 3.433 176 H HA -0.129 4.417 4.556 -0.016 0.000 0.197 176 H C -0.207 175.166 175.328 0.075 0.000 1.059 176 H CA 0.999 57.098 56.048 0.086 0.000 1.185 176 H CB -1.462 28.380 29.762 0.133 0.000 1.106 176 H HN 0.404 nan 8.280 nan 0.000 0.329 177 D N 0.650 121.139 120.400 0.150 0.000 2.323 177 D HA 0.091 4.723 4.640 -0.014 0.000 0.209 177 D C 0.665 176.992 176.300 0.045 0.000 0.973 177 D CA 0.477 54.528 54.000 0.084 0.000 0.874 177 D CB 0.356 41.192 40.800 0.059 0.000 0.930 177 D HN 0.153 nan 8.370 nan 0.000 0.521 178 L N -0.093 121.149 121.223 0.032 0.000 2.385 178 L HA 0.366 4.698 4.340 -0.014 0.000 0.273 178 L C -0.363 176.485 176.870 -0.037 0.000 0.990 178 L CA -0.725 54.119 54.840 0.006 0.000 0.821 178 L CB 2.019 44.090 42.059 0.021 0.000 1.279 178 L HN -0.318 nan 8.230 nan 0.000 0.412 179 S N 3.004 118.678 115.700 -0.042 0.000 2.564 179 S HA 0.142 4.604 4.470 -0.014 0.000 0.278 179 S C 1.096 175.628 174.600 -0.115 0.000 1.333 179 S CA -0.278 57.877 58.200 -0.075 0.000 1.048 179 S CB 0.465 63.638 63.200 -0.045 0.000 0.900 179 S HN 0.731 nan 8.310 nan 0.000 0.505 180 L N 4.981 126.102 121.223 -0.171 0.000 2.046 180 L HA 0.020 4.352 4.340 -0.014 0.000 0.208 180 L C 2.081 178.736 176.870 -0.358 0.000 1.077 180 L CA 2.027 56.678 54.840 -0.315 0.000 0.747 180 L CB -0.806 41.071 42.059 -0.303 0.000 0.896 180 L HN 0.796 nan 8.230 nan 0.000 0.432 181 E N -0.385 119.729 120.200 -0.143 0.000 2.077 181 E HA -0.261 4.081 4.350 -0.014 0.000 0.193 181 E C 2.136 178.740 176.600 0.006 0.000 0.989 181 E CA 1.481 57.873 56.400 -0.014 0.000 0.800 181 E CB -0.199 29.507 29.700 0.009 0.000 0.746 181 E HN 0.603 nan 8.360 nan 0.000 0.452 182 E N -0.101 120.085 120.200 -0.024 0.000 2.204 182 E HA -0.132 4.210 4.350 -0.014 0.000 0.194 182 E C 1.845 178.453 176.600 0.013 0.000 0.989 182 E CA 0.834 57.237 56.400 0.006 0.000 0.824 182 E CB -0.005 29.696 29.700 0.002 0.000 0.756 182 E HN 0.279 nan 8.360 nan 0.000 0.477 183 A N 0.071 122.864 122.820 -0.045 0.000 1.874 183 A HA -0.125 4.187 4.320 -0.014 0.000 0.214 183 A C 1.733 179.334 177.584 0.029 0.000 1.189 183 A CA 0.876 52.891 52.037 -0.036 0.000 0.615 183 A CB -0.654 18.283 19.000 -0.105 0.000 0.830 183 A HN 0.320 nan 8.150 nan 0.000 0.443 184 Y N 0.349 120.654 120.300 0.008 0.000 2.274 184 Y HA -0.039 4.503 4.550 -0.012 0.000 0.290 184 Y C 2.545 178.462 175.900 0.028 0.000 1.145 184 Y CA 0.432 58.545 58.100 0.022 0.000 1.203 184 Y CB -1.077 37.406 38.460 0.038 0.000 0.984 184 Y HN 0.314 nan 8.280 nan 0.000 0.533 185 G N -0.597 108.312 108.800 0.183 0.000 3.124 185 G HA2 0.129 4.081 3.960 -0.014 0.000 0.212 185 G HA3 0.129 4.081 3.960 -0.014 0.000 0.212 185 G C 0.337 175.317 174.900 0.133 0.000 1.181 185 G CA -0.232 44.947 45.100 0.132 0.000 0.803 185 G HN 0.136 nan 8.290 nan 0.000 0.529 186 L N 1.178 122.485 121.223 0.140 0.000 2.290 186 L HA 0.386 4.717 4.340 -0.014 0.000 0.284 186 L C 0.015 177.087 176.870 0.336 0.000 1.078 186 L CA -0.751 54.208 54.840 0.198 0.000 0.815 186 L CB 1.373 43.538 42.059 0.177 0.000 1.162 186 L HN 0.042 nan 8.230 nan 0.000 0.435 187 M N 2.670 122.456 119.600 0.310 0.000 2.277 187 M HA 0.197 4.669 4.480 -0.014 0.000 0.350 187 M C 0.329 176.800 176.300 0.285 0.000 1.180 187 M CA -0.349 55.130 55.300 0.299 0.000 1.103 187 M CB 1.487 34.188 32.600 0.169 0.000 1.577 187 M HN 0.579 nan 8.290 nan 0.000 0.459 188 S N 2.460 118.258 115.700 0.163 0.000 2.576 188 S HA 0.624 5.086 4.470 -0.014 0.000 0.276 188 S C -0.411 174.134 174.600 -0.092 0.000 1.339 188 S CA -0.886 57.209 58.200 -0.175 0.000 1.039 188 S CB 0.362 63.427 63.200 -0.225 0.000 0.902 188 S HN 0.494 nan 8.310 nan 0.000 0.516 189 V N 2.095 121.920 119.914 -0.147 0.000 2.555 189 V HA 0.777 4.889 4.120 -0.014 0.000 0.302 189 V C 1.004 177.050 176.094 -0.081 0.000 1.038 189 V CA -0.040 62.215 62.300 -0.074 0.000 0.887 189 V CB 0.664 32.457 31.823 -0.049 0.000 0.991 189 V HN 1.551 nan 8.190 nan 0.000 0.434 190 G N 3.357 112.129 108.800 -0.046 0.000 2.140 190 G HA2 -0.146 3.806 3.960 -0.014 0.000 0.211 190 G HA3 -0.146 3.806 3.960 -0.014 0.000 0.211 190 G C -0.310 174.572 174.900 -0.029 0.000 1.013 190 G CA 0.111 45.189 45.100 -0.037 0.000 0.705 190 G HN 0.694 nan 8.290 nan 0.000 0.508 191 E N -1.195 118.991 120.200 -0.023 0.000 2.393 191 E HA 0.472 4.814 4.350 -0.014 0.000 0.273 191 E C -0.177 176.424 176.600 0.001 0.000 0.918 191 E CA -0.902 55.491 56.400 -0.011 0.000 0.773 191 E CB 1.249 30.940 29.700 -0.015 0.000 1.275 191 E HN -0.021 nan 8.360 nan 0.000 0.451 192 D N 0.496 120.900 120.400 0.007 0.000 2.234 192 D HA -0.021 4.611 4.640 -0.014 0.000 0.205 192 D C -0.039 176.272 176.300 0.018 0.000 0.962 192 D CA 1.033 55.040 54.000 0.012 0.000 0.855 192 D CB 0.384 41.191 40.800 0.012 0.000 0.951 192 D HN -0.057 nan 8.370 nan 0.000 0.500 193 K N 1.259 121.672 120.400 0.021 0.000 2.579 193 K HA 0.267 4.579 4.320 -0.014 0.000 0.225 193 K C -2.864 173.760 176.600 0.039 0.000 0.992 193 K CA -1.730 54.575 56.287 0.030 0.000 1.018 193 K CB 1.642 34.160 32.500 0.031 0.000 1.249 193 K HN -0.066 nan 8.250 nan 0.000 0.489 194 P HA 0.123 nan 4.420 nan 0.000 0.282 194 P C -0.998 176.358 177.300 0.093 0.000 1.262 194 P CA -0.133 63.003 63.100 0.059 0.000 0.773 194 P CB 0.680 32.414 31.700 0.058 0.000 0.879 195 E N 0.919 121.198 120.200 0.132 0.000 2.266 195 E HA 0.534 4.876 4.350 -0.014 0.000 0.268 195 E C -0.705 176.075 176.600 0.301 0.000 0.879 195 E CA -1.041 55.466 56.400 0.178 0.000 0.762 195 E CB 1.345 31.137 29.700 0.154 0.000 1.199 195 E HN 0.320 nan 8.360 nan 0.000 0.422 196 S N 1.484 117.339 115.700 0.258 0.000 2.585 196 S HA 0.055 4.517 4.470 -0.014 0.000 0.273 196 S C 1.297 176.028 174.600 0.218 0.000 1.339 196 S CA -0.646 57.719 58.200 0.275 0.000 1.028 196 S CB 1.387 64.702 63.200 0.193 0.000 0.906 196 S HN 0.475 nan 8.310 nan 0.000 0.528 197 V N 1.707 121.606 119.914 -0.025 0.000 2.313 197 V HA -0.255 3.857 4.120 -0.014 0.000 0.253 197 V C 1.986 178.063 176.094 -0.027 0.000 1.070 197 V CA 2.677 64.806 62.300 -0.285 0.000 1.057 197 V CB -1.413 30.194 31.823 -0.361 0.000 0.653 197 V HN 0.969 nan 8.190 nan 0.000 0.450 198 Y N 1.131 121.389 120.300 -0.070 0.000 2.181 198 Y HA -0.249 4.293 4.550 -0.014 0.000 0.288 198 Y C 2.411 178.210 175.900 -0.168 0.000 1.146 198 Y CA 2.151 60.070 58.100 -0.301 0.000 1.164 198 Y CB -0.322 37.786 38.460 -0.585 0.000 0.982 198 Y HN 0.357 nan 8.280 nan 0.000 0.515 199 D N -0.600 119.792 120.400 -0.013 0.000 2.084 199 D HA -0.175 4.457 4.640 -0.014 0.000 0.194 199 D C 2.401 178.671 176.300 -0.050 0.000 0.990 199 D CA 1.679 55.656 54.000 -0.037 0.000 0.826 199 D CB -0.534 40.322 40.800 0.093 0.000 0.971 199 D HN 0.315 nan 8.370 nan 0.000 0.453 200 S N 0.380 116.119 115.700 0.064 0.000 2.368 200 S HA -0.143 4.319 4.470 -0.014 0.000 0.226 200 S C 2.182 176.801 174.600 0.032 0.000 1.044 200 S CA 0.808 59.084 58.200 0.127 0.000 1.062 200 S CB -0.329 63.075 63.200 0.341 0.000 0.931 200 S HN 0.222 nan 8.310 nan 0.000 0.440 201 L N 0.870 122.045 121.223 -0.080 0.000 2.109 201 L HA -0.087 4.245 4.340 -0.014 0.000 0.207 201 L C 2.444 179.215 176.870 -0.165 0.000 1.086 201 L CA 1.245 56.013 54.840 -0.120 0.000 0.760 201 L CB -0.398 41.530 42.059 -0.218 0.000 0.910 201 L HN 0.279 nan 8.230 nan 0.000 0.437 202 K N 0.376 120.585 120.400 -0.318 0.000 2.063 202 K HA -0.205 4.107 4.320 -0.014 0.000 0.208 202 K C 1.920 178.420 176.600 -0.166 0.000 1.048 202 K CA 1.655 57.749 56.287 -0.321 0.000 0.928 202 K CB -0.009 32.200 32.500 -0.485 0.000 0.713 202 K HN 0.193 nan 8.250 nan 0.000 0.442 203 N N 1.253 119.890 118.700 -0.105 0.000 2.043 203 N HA -0.190 4.542 4.740 -0.014 0.000 0.193 203 N C 1.806 177.300 175.510 -0.026 0.000 1.037 203 N CA 1.964 54.989 53.050 -0.041 0.000 0.851 203 N CB -0.387 38.102 38.487 0.004 0.000 1.027 203 N HN 0.569 nan 8.380 nan 0.000 0.422 204 I N -3.502 117.072 120.570 0.008 0.000 3.564 204 I HA 0.262 4.424 4.170 -0.014 0.000 0.294 204 I C 1.013 177.062 176.117 -0.113 0.000 1.289 204 I CA 0.564 61.885 61.300 0.034 0.000 1.325 204 I CB -0.491 37.625 38.000 0.192 0.000 1.039 204 I HN 0.091 nan 8.210 nan 0.000 0.474 205 G N 1.306 110.017 108.800 -0.149 0.000 2.147 205 G HA2 -0.327 3.624 3.960 -0.014 0.000 0.244 205 G HA3 -0.327 3.624 3.960 -0.014 0.000 0.244 205 G C 0.103 174.800 174.900 -0.339 0.000 1.005 205 G CA 0.344 45.295 45.100 -0.247 0.000 0.713 205 G HN 0.648 nan 8.290 nan 0.000 0.515 206 Y N -0.123 120.135 120.300 -0.071 0.000 2.645 206 Y HA 0.461 5.003 4.550 -0.013 0.000 0.307 206 Y C 1.487 177.337 175.900 -0.083 0.000 1.151 206 Y CA -0.532 57.532 58.100 -0.060 0.000 1.291 206 Y CB 0.407 38.837 38.460 -0.049 0.000 1.135 206 Y HN 0.306 nan 8.280 nan 0.000 0.523 207 I N 1.186 121.749 120.570 -0.013 0.000 2.278 207 I HA 0.167 4.329 4.170 -0.014 0.000 0.296 207 I C 1.119 177.258 176.117 0.037 0.000 1.121 207 I CA -0.153 61.147 61.300 -0.000 0.000 1.267 207 I CB -0.015 37.921 38.000 -0.107 0.000 1.447 207 I HN 0.222 nan 8.210 nan 0.000 0.509 208 G N 3.536 112.393 108.800 0.095 0.000 2.563 208 G HA2 0.117 4.068 3.960 -0.014 0.000 0.283 208 G HA3 0.117 4.068 3.960 -0.014 0.000 0.283 208 G C 0.032 174.986 174.900 0.091 0.000 1.309 208 G CA -0.236 44.921 45.100 0.096 0.000 1.022 208 G HN 0.578 nan 8.290 nan 0.000 0.501 209 D N -1.426 119.023 120.400 0.081 0.000 2.366 209 D HA 0.140 4.772 4.640 -0.014 0.000 0.205 209 D C 0.963 177.308 176.300 0.076 0.000 1.022 209 D CA 0.461 54.503 54.000 0.070 0.000 0.868 209 D CB 0.355 41.185 40.800 0.049 0.000 0.953 209 D HN 0.262 nan 8.370 nan 0.000 0.514 210 T N 2.564 117.174 114.554 0.093 0.000 2.901 210 T HA 0.225 4.567 4.350 -0.014 0.000 0.301 210 T C -2.426 172.339 174.700 0.108 0.000 1.012 210 T CA -1.269 60.886 62.100 0.091 0.000 1.135 210 T CB 1.340 70.271 68.868 0.104 0.000 0.936 210 T HN -0.103 nan 8.240 nan 0.000 0.539 211 P HA 0.278 nan 4.420 nan 0.000 0.272 211 P C -0.866 176.520 177.300 0.143 0.000 1.223 211 P CA -0.449 62.701 63.100 0.083 0.000 0.784 211 P CB 0.407 32.129 31.700 0.037 0.000 0.923 212 A N 1.364 124.263 122.820 0.131 0.000 3.245 212 A HA 0.503 4.815 4.320 -0.014 0.000 0.282 212 A C -0.035 177.639 177.584 0.150 0.000 1.417 212 A CA 0.004 52.177 52.037 0.228 0.000 1.149 212 A CB -0.998 18.103 19.000 0.169 0.000 1.155 212 A HN 0.480 nan 8.150 nan 0.000 0.602 213 S N -0.883 114.863 115.700 0.077 0.000 2.536 213 S HA 0.431 4.893 4.470 -0.014 0.000 0.271 213 S C 0.324 174.596 174.600 -0.547 0.000 1.134 213 S CA -0.417 57.677 58.200 -0.177 0.000 0.897 213 S CB 0.461 63.635 63.200 -0.043 0.000 1.094 213 S HN 0.911 nan 8.310 nan 0.000 0.473 214 Y N 1.388 121.011 120.300 -1.129 0.000 2.569 214 Y HA 0.226 4.768 4.550 -0.014 0.000 0.293 214 Y C 1.527 177.146 175.900 -0.469 0.000 1.144 214 Y CA 0.919 58.269 58.100 -1.250 0.000 1.321 214 Y CB -0.485 36.994 38.460 -1.635 0.000 0.982 214 Y HN 0.599 nan 8.280 nan 0.000 0.558 215 K N 0.215 120.080 120.400 -0.891 0.000 2.262 215 K HA -0.022 4.290 4.320 -0.014 0.000 0.200 215 K C 1.653 178.093 176.600 -0.265 0.000 1.049 215 K CA 1.090 57.015 56.287 -0.602 0.000 0.979 215 K CB 0.120 32.197 32.500 -0.704 0.000 0.773 215 K HN 0.393 nan 8.250 nan 0.000 0.474 216 E N 0.310 120.392 120.200 -0.196 0.000 2.162 216 E HA 0.008 4.350 4.350 -0.014 0.000 0.193 216 E C 0.487 177.071 176.600 -0.026 0.000 0.953 216 E CA 0.427 56.778 56.400 -0.083 0.000 0.849 216 E CB 0.030 29.699 29.700 -0.052 0.000 0.810 216 E HN 0.066 nan 8.360 nan 0.000 0.470 217 N N 2.447 121.163 118.700 0.026 0.000 2.994 217 N HA 0.071 4.803 4.740 -0.014 0.000 0.306 217 N C -0.750 174.913 175.510 0.255 0.000 1.348 217 N CA 0.109 53.226 53.050 0.111 0.000 1.109 217 N CB 0.065 38.721 38.487 0.281 0.000 1.415 217 N HN 0.177 nan 8.380 nan 0.000 0.529 218 E N 0.225 120.513 120.200 0.146 0.000 2.413 218 E HA 0.117 4.459 4.350 -0.014 0.000 0.263 218 E C 0.114 176.873 176.600 0.265 0.000 1.015 218 E CA 0.456 56.992 56.400 0.226 0.000 0.916 218 E CB 1.263 31.038 29.700 0.124 0.000 0.947 218 E HN 0.309 nan 8.360 nan 0.000 0.440 219 I N 1.274 122.076 120.570 0.386 0.000 2.957 219 I HA 0.121 4.283 4.170 -0.014 0.000 0.310 219 I C 1.008 177.287 176.117 0.270 0.000 1.063 219 I CA -0.623 60.865 61.300 0.314 0.000 1.033 219 I CB 1.711 39.928 38.000 0.362 0.000 1.230 219 I HN 0.587 nan 8.210 nan 0.000 0.447 220 D N 1.826 122.367 120.400 0.235 0.000 2.232 220 D HA 0.191 4.823 4.640 -0.014 0.000 0.220 220 D C 0.168 176.586 176.300 0.196 0.000 0.982 220 D CA 0.815 54.948 54.000 0.222 0.000 0.892 220 D CB 0.803 41.750 40.800 0.246 0.000 1.040 220 D HN 0.587 nan 8.370 nan 0.000 0.463 221 A N -0.893 122.020 122.820 0.155 0.000 2.532 221 A HA 0.515 4.827 4.320 -0.014 0.000 0.290 221 A C -1.269 176.369 177.584 0.091 0.000 1.143 221 A CA -0.511 51.513 52.037 -0.021 0.000 0.728 221 A CB 1.784 20.530 19.000 -0.422 0.000 1.317 221 A HN 0.403 nan 8.150 nan 0.000 0.414 222 H N 0.550 119.517 119.070 -0.171 0.000 3.108 222 H HA 0.532 5.080 4.556 -0.013 0.000 0.329 222 H C -2.150 173.014 175.328 -0.273 0.000 0.978 222 H CA -0.284 55.723 56.048 -0.069 0.000 1.413 222 H CB 0.697 30.466 29.762 0.011 0.000 1.670 222 H HN 0.432 nan 8.280 nan 0.000 0.512 223 F N 2.924 122.578 119.950 -0.494 0.000 2.427 223 F HA 0.266 4.786 4.527 -0.012 0.000 0.346 223 F C 0.434 175.909 175.800 -0.542 0.000 1.120 223 F CA -0.606 57.114 58.000 -0.468 0.000 1.033 223 F CB 1.732 40.557 39.000 -0.293 0.000 1.126 223 F HN 0.496 nan 8.300 nan 0.000 0.462 224 E N 3.947 123.952 120.200 -0.325 0.000 2.182 224 E HA 0.367 4.709 4.350 -0.014 0.000 0.258 224 E C -1.608 174.960 176.600 -0.053 0.000 0.879 224 E CA -1.037 55.251 56.400 -0.188 0.000 0.754 224 E CB 1.368 30.982 29.700 -0.143 0.000 1.162 224 E HN 0.604 nan 8.360 nan 0.000 0.419 225 L N 6.109 127.342 121.223 0.017 0.000 2.283 225 L HA 0.295 4.626 4.340 -0.014 0.000 0.287 225 L C -1.141 175.803 176.870 0.124 0.000 1.073 225 L CA 0.044 54.928 54.840 0.073 0.000 0.822 225 L CB 0.469 42.564 42.059 0.060 0.000 1.186 225 L HN 0.565 nan 8.230 nan 0.000 0.436 226 H N 5.071 124.218 119.070 0.129 0.000 2.690 226 H HA 0.418 4.967 4.556 -0.012 0.000 0.368 226 H C -0.335 175.042 175.328 0.082 0.000 1.150 226 H CA -0.656 55.468 56.048 0.127 0.000 1.174 226 H CB 1.956 31.792 29.762 0.124 0.000 1.684 226 H HN 0.771 nan 8.280 nan 0.000 0.538 227 I N -0.139 120.429 120.570 -0.003 0.000 2.993 227 I HA 0.002 4.164 4.170 -0.014 0.000 0.286 227 I C 1.525 177.389 176.117 -0.422 0.000 1.215 227 I CA 0.043 61.278 61.300 -0.108 0.000 1.393 227 I CB 0.729 38.676 38.000 -0.089 0.000 1.371 227 I HN 0.681 nan 8.210 nan 0.000 0.602 228 E N 2.159 121.973 120.200 -0.643 0.000 2.031 228 E HA -0.250 4.092 4.350 -0.014 0.000 0.193 228 E C 0.715 176.958 176.600 -0.596 0.000 0.994 228 E CA 1.947 57.698 56.400 -1.080 0.000 0.800 228 E CB 0.008 29.444 29.700 -0.440 0.000 0.752 228 E HN 0.877 nan 8.360 nan 0.000 0.447 229 Q N -1.804 117.853 119.800 -0.239 0.000 2.424 229 Q HA -0.172 4.160 4.340 -0.014 0.000 0.234 229 Q C -0.142 175.808 176.000 -0.084 0.000 0.748 229 Q CA 0.457 56.204 55.803 -0.093 0.000 1.286 229 Q CB -1.646 27.074 28.738 -0.031 0.000 1.494 229 Q HN 0.377 nan 8.270 nan 0.000 0.683 230 G N -0.502 108.242 108.800 -0.093 0.000 2.658 230 G HA2 0.609 4.561 3.960 -0.014 0.000 0.292 230 G HA3 0.609 4.561 3.960 -0.014 0.000 0.292 230 G C -2.740 172.140 174.900 -0.033 0.000 1.320 230 G CA -0.924 44.153 45.100 -0.039 0.000 0.933 230 G HN -0.116 nan 8.290 nan 0.000 0.476 231 P HA 0.185 nan 4.420 nan 0.000 0.261 231 P C 1.439 178.740 177.300 0.001 0.000 1.268 231 P CA -0.100 62.993 63.100 -0.011 0.000 0.833 231 P CB 0.500 32.194 31.700 -0.010 0.000 1.231 232 I N -0.244 120.336 120.570 0.017 0.000 2.202 232 I HA -0.195 3.966 4.170 -0.014 0.000 0.242 232 I C 2.474 178.606 176.117 0.025 0.000 1.091 232 I CA 1.292 62.611 61.300 0.032 0.000 1.368 232 I CB -0.674 37.364 38.000 0.062 0.000 1.058 232 I HN -0.161 nan 8.210 nan 0.000 0.410 233 L N 0.272 121.508 121.223 0.023 0.000 2.093 233 L HA -0.198 4.133 4.340 -0.014 0.000 0.208 233 L C 2.626 179.487 176.870 -0.014 0.000 1.085 233 L CA 1.347 56.191 54.840 0.007 0.000 0.755 233 L CB -0.628 41.432 42.059 0.002 0.000 0.904 233 L HN 0.347 nan 8.230 nan 0.000 0.435 234 E N 0.658 120.846 120.200 -0.020 0.000 2.051 234 E HA -0.298 4.044 4.350 -0.014 0.000 0.192 234 E C 1.690 178.285 176.600 -0.009 0.000 0.991 234 E CA 1.872 58.259 56.400 -0.022 0.000 0.799 234 E CB 0.051 29.738 29.700 -0.022 0.000 0.748 234 E HN 0.416 nan 8.360 nan 0.000 0.449 235 D N 0.029 120.428 120.400 -0.002 0.000 2.144 235 D HA -0.145 4.487 4.640 -0.014 0.000 0.199 235 D C 1.181 177.485 176.300 0.006 0.000 0.984 235 D CA 1.188 55.190 54.000 0.003 0.000 0.834 235 D CB 0.171 40.975 40.800 0.006 0.000 0.955 235 D HN 0.209 nan 8.370 nan 0.000 0.465 236 E N -0.634 119.571 120.200 0.008 0.000 2.465 236 E HA 0.115 4.457 4.350 -0.014 0.000 0.191 236 E C -0.353 176.251 176.600 0.007 0.000 1.053 236 E CA -0.075 56.332 56.400 0.012 0.000 0.869 236 E CB -0.056 29.656 29.700 0.019 0.000 0.977 236 E HN 0.335 nan 8.360 nan 0.000 0.483 237 N N 1.008 119.707 118.700 -0.002 0.000 2.725 237 N HA -0.192 4.540 4.740 -0.014 0.000 0.249 237 N C -0.704 174.794 175.510 -0.019 0.000 1.103 237 N CA 0.350 53.396 53.050 -0.008 0.000 0.707 237 N CB -0.660 37.829 38.487 0.002 0.000 1.043 237 N HN -0.045 nan 8.380 nan 0.000 0.553 238 K N 0.254 120.638 120.400 -0.028 0.000 2.205 238 K HA 0.568 4.880 4.320 -0.014 0.000 0.279 238 K C 0.902 177.441 176.600 -0.102 0.000 1.027 238 K CA 0.223 56.480 56.287 -0.051 0.000 0.932 238 K CB 1.057 33.539 32.500 -0.030 0.000 1.032 238 K HN 0.233 nan 8.250 nan 0.000 0.466 239 A N 3.301 126.013 122.820 -0.179 0.000 1.911 239 A HA 0.173 4.485 4.320 -0.014 0.000 0.212 239 A C 0.283 177.674 177.584 -0.322 0.000 1.189 239 A CA 0.885 52.747 52.037 -0.292 0.000 0.639 239 A CB 0.033 18.740 19.000 -0.488 0.000 0.839 239 A HN 0.566 nan 8.150 nan 0.000 0.449 240 I N -1.841 118.533 120.570 -0.326 0.000 2.740 240 I HA 0.603 4.765 4.170 -0.014 0.000 0.303 240 I C 0.114 176.156 176.117 -0.125 0.000 1.044 240 I CA -0.259 60.895 61.300 -0.244 0.000 1.064 240 I CB 2.225 40.022 38.000 -0.339 0.000 1.249 240 I HN 0.112 nan 8.210 nan 0.000 0.433 241 G N 5.799 114.572 108.800 -0.045 0.000 2.723 241 G HA2 0.618 4.569 3.960 -0.014 0.000 0.295 241 G HA3 0.618 4.569 3.960 -0.014 0.000 0.295 241 G C -1.064 173.805 174.900 -0.051 0.000 1.464 241 G CA -0.383 44.715 45.100 -0.003 0.000 1.012 241 G HN 0.438 nan 8.290 nan 0.000 0.522 242 I N 2.213 122.735 120.570 -0.079 0.000 2.337 242 I HA 0.142 4.304 4.170 -0.014 0.000 0.291 242 I C 0.171 176.206 176.117 -0.136 0.000 1.046 242 I CA -0.627 60.612 61.300 -0.102 0.000 1.324 242 I CB 1.515 39.470 38.000 -0.075 0.000 1.409 242 I HN 0.045 nan 8.210 nan 0.000 0.494 243 V N 5.810 125.604 119.914 -0.200 0.000 2.389 243 V HA 0.057 4.168 4.120 -0.014 0.000 0.264 243 V C 1.340 177.351 176.094 -0.139 0.000 1.049 243 V CA -0.038 62.112 62.300 -0.249 0.000 0.932 243 V CB 0.682 32.280 31.823 -0.375 0.000 1.011 243 V HN 0.946 nan 8.190 nan 0.000 0.475 244 T N 1.012 115.345 114.554 -0.368 0.000 3.067 244 T HA 0.459 4.801 4.350 -0.014 0.000 0.257 244 T C 0.807 174.978 174.700 -0.882 0.000 1.105 244 T CA 0.552 62.350 62.100 -0.503 0.000 1.104 244 T CB 0.440 68.976 68.868 -0.554 0.000 0.925 244 T HN 1.126 nan 8.240 nan 0.000 0.498 245 G N -0.051 108.017 108.800 -1.219 0.000 2.315 245 G HA2 0.438 4.390 3.960 -0.014 0.000 0.294 245 G HA3 0.438 4.390 3.960 -0.014 0.000 0.294 245 G C -2.125 172.213 174.900 -0.938 0.000 1.300 245 G CA -0.489 43.653 45.100 -1.598 0.000 0.843 245 G HN 0.289 nan 8.290 nan 0.000 0.527 246 V N 1.153 120.752 119.914 -0.525 0.000 2.409 246 V HA 0.429 4.541 4.120 -0.014 0.000 0.291 246 V C 0.574 176.882 176.094 0.357 0.000 1.020 246 V CA -0.651 61.678 62.300 0.049 0.000 0.848 246 V CB 1.218 33.049 31.823 0.013 0.000 0.990 246 V HN 0.789 nan 8.190 nan 0.000 0.430 247 Q N 2.189 122.253 119.800 0.439 0.000 2.352 247 Q HA 0.220 4.551 4.340 -0.014 0.000 0.326 247 Q C 0.562 176.647 176.000 0.142 0.000 1.135 247 Q CA 0.432 56.349 55.803 0.189 0.000 1.000 247 Q CB 0.529 29.331 28.738 0.106 0.000 1.237 247 Q HN 0.954 nan 8.270 nan 0.000 0.409 248 A N 2.412 125.276 122.820 0.074 0.000 2.386 248 A HA 0.383 4.694 4.320 -0.014 0.000 0.248 248 A C -0.903 176.763 177.584 0.138 0.000 1.082 248 A CA -0.116 51.943 52.037 0.035 0.000 0.789 248 A CB 0.192 19.197 19.000 0.009 0.000 1.025 248 A HN 0.618 nan 8.150 nan 0.000 0.490 249 Y N -0.334 119.984 120.300 0.030 0.000 2.562 249 Y HA 0.704 5.248 4.550 -0.010 0.000 0.345 249 Y C -1.044 174.875 175.900 0.031 0.000 1.045 249 Y CA -1.938 56.207 58.100 0.075 0.000 1.028 249 Y CB 1.132 39.651 38.460 0.099 0.000 1.297 249 Y HN 0.669 nan 8.280 nan 0.000 0.463 250 N N 2.433 121.456 118.700 0.538 0.000 2.430 250 N HA 0.452 5.184 4.740 -0.014 0.000 0.290 250 N C -2.241 173.679 175.510 0.684 0.000 1.063 250 N CA -0.504 52.809 53.050 0.439 0.000 0.883 250 N CB 1.113 39.778 38.487 0.296 0.000 1.465 250 N HN 0.566 nan 8.380 nan 0.000 0.493 251 W N 2.355 123.840 121.300 0.310 0.000 2.429 251 W HA 0.505 5.160 4.660 -0.008 0.000 0.314 251 W C -0.211 176.405 176.519 0.162 0.000 1.062 251 W CA -0.671 56.781 57.345 0.177 0.000 1.211 251 W CB 1.135 30.653 29.460 0.095 0.000 1.305 251 W HN 0.289 nan 8.180 nan 0.000 0.476 252 Q N 1.815 121.829 119.800 0.358 0.000 2.413 252 Q HA 0.405 4.737 4.340 -0.014 0.000 0.276 252 Q C -0.907 175.175 176.000 0.136 0.000 1.099 252 Q CA -1.065 54.887 55.803 0.247 0.000 0.814 252 Q CB 3.747 32.654 28.738 0.283 0.000 1.379 252 Q HN 0.437 nan 8.270 nan 0.000 0.436 253 K N 1.274 121.722 120.400 0.080 0.000 2.274 253 K HA 0.527 4.839 4.320 -0.014 0.000 0.262 253 K C -1.251 175.302 176.600 -0.078 0.000 0.961 253 K CA -0.430 55.845 56.287 -0.020 0.000 0.833 253 K CB 1.341 33.843 32.500 0.004 0.000 1.102 253 K HN 0.318 nan 8.250 nan 0.000 0.436 254 V N 3.124 122.852 119.914 -0.310 0.000 2.513 254 V HA 0.407 4.519 4.120 -0.014 0.000 0.299 254 V C -0.577 175.303 176.094 -0.356 0.000 1.035 254 V CA -0.540 61.556 62.300 -0.340 0.000 0.889 254 V CB 2.084 33.576 31.823 -0.552 0.000 0.988 254 V HN 0.864 nan 8.190 nan 0.000 0.440 255 T N 3.889 118.373 114.554 -0.116 0.000 2.840 255 T HA 0.526 4.868 4.350 -0.014 0.000 0.287 255 T C -0.561 174.073 174.700 -0.110 0.000 0.991 255 T CA -0.382 61.638 62.100 -0.134 0.000 0.964 255 T CB 1.503 70.296 68.868 -0.126 0.000 0.954 255 T HN 0.317 nan 8.240 nan 0.000 0.438 256 V N 4.742 124.589 119.914 -0.112 0.000 2.394 256 V HA 0.365 4.477 4.120 -0.014 0.000 0.282 256 V C -0.161 175.818 176.094 -0.192 0.000 1.031 256 V CA -0.847 61.439 62.300 -0.024 0.000 0.881 256 V CB 0.897 32.766 31.823 0.076 0.000 0.982 256 V HN 0.829 nan 8.190 nan 0.000 0.451 257 H N 3.312 122.443 119.070 0.102 0.000 2.504 257 H HA 0.632 5.178 4.556 -0.015 0.000 0.322 257 H C 0.363 175.729 175.328 0.063 0.000 1.055 257 H CA 0.148 56.239 56.048 0.071 0.000 1.231 257 H CB 2.180 31.976 29.762 0.057 0.000 1.417 257 H HN 0.832 nan 8.280 nan 0.000 0.472 258 G N 1.489 110.378 108.800 0.148 0.000 3.234 258 G HA2 0.474 4.426 3.960 -0.014 0.000 0.159 258 G HA3 0.474 4.426 3.960 -0.014 0.000 0.159 258 G C -0.983 173.970 174.900 0.089 0.000 1.175 258 G CA -0.403 44.757 45.100 0.100 0.000 0.900 258 G HN 0.395 nan 8.290 nan 0.000 0.621 259 V N 0.560 120.510 119.914 0.060 0.000 2.525 259 V HA 0.614 4.726 4.120 -0.014 0.000 0.299 259 V C 0.594 176.708 176.094 0.033 0.000 1.034 259 V CA -0.480 61.848 62.300 0.047 0.000 0.863 259 V CB 1.223 33.068 31.823 0.037 0.000 0.999 259 V HN 0.984 nan 8.190 nan 0.000 0.423 260 G N 3.347 112.168 108.800 0.035 0.000 2.334 260 G HA2 0.569 4.521 3.960 -0.014 0.000 0.261 260 G HA3 0.569 4.521 3.960 -0.014 0.000 0.261 260 G C -0.060 174.852 174.900 0.019 0.000 1.257 260 G CA 0.682 45.797 45.100 0.024 0.000 0.935 260 G HN 1.268 nan 8.290 nan 0.000 0.480 261 A N 2.750 125.573 122.820 0.005 0.000 2.587 261 A HA 0.608 4.920 4.320 -0.014 0.000 0.293 261 A C -0.496 177.095 177.584 0.011 0.000 1.087 261 A CA -0.796 51.251 52.037 0.017 0.000 0.692 261 A CB 1.081 20.084 19.000 0.004 0.000 1.291 261 A HN 0.846 nan 8.150 nan 0.000 0.407 262 H N 1.663 120.705 119.070 -0.046 0.000 2.929 262 H HA 0.270 4.818 4.556 -0.013 0.000 0.317 262 H C 1.390 176.667 175.328 -0.085 0.000 1.031 262 H CA 0.789 56.804 56.048 -0.056 0.000 1.466 262 H CB 1.428 31.161 29.762 -0.048 0.000 1.482 262 H HN 0.762 nan 8.280 nan 0.000 0.561 263 A N 4.046 126.616 122.820 -0.417 0.000 2.076 263 A HA -0.127 4.185 4.320 -0.014 0.000 0.220 263 A C 2.229 179.722 177.584 -0.152 0.000 1.160 263 A CA 1.555 53.426 52.037 -0.278 0.000 0.653 263 A CB -0.400 18.417 19.000 -0.306 0.000 0.801 263 A HN 0.817 nan 8.150 nan 0.000 0.455 264 G N -1.474 107.375 108.800 0.081 0.000 2.673 264 G HA2 0.070 4.021 3.960 -0.014 0.000 0.208 264 G HA3 0.070 4.021 3.960 -0.014 0.000 0.208 264 G C 1.507 176.471 174.900 0.107 0.000 1.128 264 G CA 1.271 46.461 45.100 0.150 0.000 0.805 264 G HN 0.647 nan 8.290 nan 0.000 0.526 265 T N -1.434 113.226 114.554 0.177 0.000 3.100 265 T HA 0.156 4.498 4.350 -0.014 0.000 0.253 265 T C 0.713 175.400 174.700 -0.020 0.000 1.118 265 T CA 0.446 62.545 62.100 -0.002 0.000 1.058 265 T CB 0.119 68.933 68.868 -0.091 0.000 0.953 265 T HN -0.009 nan 8.240 nan 0.000 0.515 266 T N 5.176 119.712 114.554 -0.031 0.000 2.770 266 T HA 0.491 4.833 4.350 -0.014 0.000 0.297 266 T C -2.610 171.995 174.700 -0.158 0.000 0.997 266 T CA -1.290 60.767 62.100 -0.072 0.000 0.949 266 T CB 1.662 70.495 68.868 -0.059 0.000 0.941 266 T HN 0.227 nan 8.240 nan 0.000 0.457 267 P HA 0.193 nan 4.420 nan 0.000 0.276 267 P C 0.228 177.453 177.300 -0.124 0.000 1.261 267 P CA -0.706 62.304 63.100 -0.151 0.000 0.800 267 P CB 1.186 32.870 31.700 -0.026 0.000 1.066 268 W N 1.014 122.318 121.300 0.005 0.000 2.321 268 W HA -0.178 4.473 4.660 -0.014 0.000 0.306 268 W C 2.610 179.131 176.519 0.004 0.000 1.217 268 W CA 1.453 58.799 57.345 0.002 0.000 1.257 268 W CB -0.834 28.625 29.460 -0.002 0.000 1.145 268 W HN 0.425 nan 8.180 nan 0.000 0.509 269 R N 0.426 121.062 120.500 0.227 0.000 2.316 269 R HA 0.006 4.338 4.340 -0.014 0.000 0.202 269 R C 1.123 177.477 176.300 0.089 0.000 1.029 269 R CA 1.139 57.321 56.100 0.137 0.000 1.018 269 R CB -0.671 29.690 30.300 0.102 0.000 0.888 269 R HN 0.291 nan 8.270 nan 0.000 0.471 270 L N 1.135 122.400 121.223 0.070 0.000 3.016 270 L HA 0.294 4.626 4.340 -0.014 0.000 0.267 270 L C 0.013 176.901 176.870 0.030 0.000 1.182 270 L CA -0.638 54.226 54.840 0.040 0.000 0.997 270 L CB 0.383 42.455 42.059 0.021 0.000 1.354 270 L HN 0.169 nan 8.230 nan 0.000 0.569 271 R N 0.187 120.710 120.500 0.039 0.000 2.536 271 R HA 0.505 4.837 4.340 -0.014 0.000 0.279 271 R C -0.505 175.825 176.300 0.050 0.000 1.001 271 R CA -0.699 55.414 56.100 0.020 0.000 1.027 271 R CB 1.097 31.375 30.300 -0.037 0.000 1.096 271 R HN -0.096 nan 8.270 nan 0.000 0.502 272 K N 1.510 121.932 120.400 0.038 0.000 2.679 272 K HA 0.102 4.414 4.320 -0.014 0.000 0.188 272 K C -1.236 175.389 176.600 0.041 0.000 1.055 272 K CA -0.529 55.788 56.287 0.049 0.000 1.006 272 K CB 1.000 33.531 32.500 0.052 0.000 1.317 272 K HN 0.526 nan 8.250 nan 0.000 0.584 273 D N 1.559 121.986 120.400 0.044 0.000 2.338 273 D HA 0.120 4.752 4.640 -0.014 0.000 0.255 273 D C 0.876 177.191 176.300 0.025 0.000 1.237 273 D CA -0.053 53.965 54.000 0.029 0.000 0.883 273 D CB 1.403 42.229 40.800 0.042 0.000 1.087 273 D HN 0.539 nan 8.370 nan 0.000 0.485 274 A N 4.086 126.918 122.820 0.020 0.000 2.014 274 A HA -0.135 4.177 4.320 -0.014 0.000 0.218 274 A C 1.832 179.413 177.584 -0.004 0.000 1.163 274 A CA 0.613 52.660 52.037 0.017 0.000 0.652 274 A CB -0.174 18.839 19.000 0.022 0.000 0.808 274 A HN 0.565 nan 8.150 nan 0.000 0.449 275 L N -1.128 120.086 121.223 -0.015 0.000 2.209 275 L HA 0.095 4.426 4.340 -0.014 0.000 0.207 275 L C 2.070 178.903 176.870 -0.063 0.000 1.094 275 L CA 1.225 56.039 54.840 -0.043 0.000 0.790 275 L CB -0.525 41.511 42.059 -0.039 0.000 0.932 275 L HN 0.305 nan 8.230 nan 0.000 0.447 276 L N -0.746 120.461 121.223 -0.028 0.000 2.012 276 L HA -0.214 4.118 4.340 -0.014 0.000 0.210 276 L C 2.470 179.305 176.870 -0.058 0.000 1.073 276 L CA 2.203 57.031 54.840 -0.021 0.000 0.748 276 L CB -0.702 41.382 42.059 0.041 0.000 0.891 276 L HN 0.411 nan 8.230 nan 0.000 0.431 277 M N -0.972 118.597 119.600 -0.051 0.000 2.080 277 M HA -0.204 4.268 4.480 -0.014 0.000 0.260 277 M C 2.364 178.562 176.300 -0.170 0.000 1.068 277 M CA 2.124 57.374 55.300 -0.084 0.000 1.109 277 M CB -0.653 31.919 32.600 -0.045 0.000 1.342 277 M HN 0.268 nan 8.290 nan 0.000 0.405 278 S N -0.151 115.439 115.700 -0.183 0.000 2.383 278 S HA -0.134 4.328 4.470 -0.014 0.000 0.229 278 S C 1.921 176.237 174.600 -0.473 0.000 1.030 278 S CA 1.529 59.498 58.200 -0.385 0.000 1.002 278 S CB -0.481 62.511 63.200 -0.348 0.000 0.829 278 S HN 0.621 nan 8.310 nan 0.000 0.467 279 S N 1.586 117.116 115.700 -0.283 0.000 2.368 279 S HA -0.077 4.384 4.470 -0.014 0.000 0.225 279 S C 1.805 176.292 174.600 -0.189 0.000 1.030 279 S CA 1.015 59.083 58.200 -0.220 0.000 0.999 279 S CB -0.213 62.906 63.200 -0.134 0.000 0.844 279 S HN 0.505 nan 8.310 nan 0.000 0.459 280 K N 0.738 121.037 120.400 -0.167 0.000 2.147 280 K HA 0.050 4.362 4.320 -0.014 0.000 0.205 280 K C 2.117 178.624 176.600 -0.156 0.000 1.049 280 K CA 1.081 57.290 56.287 -0.130 0.000 0.936 280 K CB -0.254 32.184 32.500 -0.103 0.000 0.722 280 K HN 0.375 nan 8.250 nan 0.000 0.446 281 M N 0.326 119.760 119.600 -0.276 0.000 2.156 281 M HA -0.091 4.381 4.480 -0.014 0.000 0.264 281 M C 2.140 178.332 176.300 -0.180 0.000 1.067 281 M CA 1.382 56.460 55.300 -0.370 0.000 1.131 281 M CB -0.230 31.866 32.600 -0.840 0.000 1.368 281 M HN 0.064 nan 8.290 nan 0.000 0.416 282 I N -0.500 119.919 120.570 -0.252 0.000 2.179 282 I HA -0.260 3.902 4.170 -0.014 0.000 0.242 282 I C 2.314 178.413 176.117 -0.030 0.000 1.088 282 I CA 1.089 62.341 61.300 -0.080 0.000 1.357 282 I CB -0.357 37.571 38.000 -0.120 0.000 1.051 282 I HN 0.038 nan 8.210 nan 0.000 0.409 283 V N 0.900 120.781 119.914 -0.054 0.000 2.343 283 V HA -0.321 3.791 4.120 -0.014 0.000 0.247 283 V C 2.663 178.739 176.094 -0.030 0.000 1.051 283 V CA 2.073 64.358 62.300 -0.025 0.000 1.036 283 V CB -1.013 30.788 31.823 -0.037 0.000 0.654 283 V HN 0.510 nan 8.190 nan 0.000 0.451 284 A N -0.057 122.745 122.820 -0.031 0.000 1.877 284 A HA -0.109 4.203 4.320 -0.014 0.000 0.216 284 A C 2.436 179.998 177.584 -0.035 0.000 1.186 284 A CA 2.078 54.117 52.037 0.004 0.000 0.620 284 A CB -0.885 18.157 19.000 0.069 0.000 0.822 284 A HN 0.575 nan 8.150 nan 0.000 0.443 285 A N -0.741 122.007 122.820 -0.119 0.000 1.940 285 A HA -0.124 4.188 4.320 -0.014 0.000 0.219 285 A C 2.475 179.804 177.584 -0.426 0.000 1.176 285 A CA 2.241 54.053 52.037 -0.375 0.000 0.631 285 A CB -0.948 17.533 19.000 -0.865 0.000 0.814 285 A HN 0.608 nan 8.150 nan 0.000 0.446 286 S N -0.481 115.029 115.700 -0.317 0.000 2.368 286 S HA -0.210 4.252 4.470 -0.014 0.000 0.225 286 S C 1.878 176.518 174.600 0.067 0.000 1.030 286 S CA 1.767 60.002 58.200 0.059 0.000 0.999 286 S CB -0.350 62.952 63.200 0.170 0.000 0.844 286 S HN 0.675 nan 8.310 nan 0.000 0.459 287 E N 0.346 120.561 120.200 0.026 0.000 2.106 287 E HA -0.038 4.304 4.350 -0.014 0.000 0.192 287 E C 2.048 178.687 176.600 0.066 0.000 0.984 287 E CA 1.328 57.754 56.400 0.043 0.000 0.806 287 E CB -0.208 29.507 29.700 0.025 0.000 0.750 287 E HN 0.571 nan 8.360 nan 0.000 0.458 288 I N 1.074 121.673 120.570 0.048 0.000 2.286 288 I HA -0.257 3.905 4.170 -0.014 0.000 0.248 288 I C 2.508 178.704 176.117 0.131 0.000 1.115 288 I CA 0.810 62.153 61.300 0.072 0.000 1.392 288 I CB -0.301 37.678 38.000 -0.035 0.000 1.065 288 I HN 0.096 nan 8.210 nan 0.000 0.418 289 A N 0.199 123.107 122.820 0.147 0.000 1.873 289 A HA -0.259 4.053 4.320 -0.014 0.000 0.215 289 A C 2.261 179.970 177.584 0.208 0.000 1.186 289 A CA 1.555 53.726 52.037 0.224 0.000 0.616 289 A CB -0.626 18.564 19.000 0.316 0.000 0.823 289 A HN 0.398 nan 8.150 nan 0.000 0.442 290 Q N -0.849 119.047 119.800 0.160 0.000 2.030 290 Q HA -0.165 4.167 4.340 -0.014 0.000 0.204 290 Q C 2.383 178.456 176.000 0.122 0.000 0.986 290 Q CA 1.731 57.607 55.803 0.122 0.000 0.843 290 Q CB -0.169 28.621 28.738 0.086 0.000 0.904 290 Q HN 0.561 nan 8.270 nan 0.000 0.420 291 R N -0.680 119.900 120.500 0.132 0.000 2.200 291 R HA -0.139 4.193 4.340 -0.014 0.000 0.234 291 R C 0.962 177.279 176.300 0.029 0.000 1.127 291 R CA 1.119 57.266 56.100 0.079 0.000 0.989 291 R CB -0.001 30.340 30.300 0.067 0.000 0.869 291 R HN 0.397 nan 8.270 nan 0.000 0.459 292 H N -1.363 117.733 119.070 0.044 0.000 2.549 292 H HA 0.135 4.684 4.556 -0.011 0.000 0.279 292 H C 0.070 175.487 175.328 0.148 0.000 1.018 292 H CA -0.069 56.007 56.048 0.047 0.000 1.175 292 H CB 0.253 30.010 29.762 -0.008 0.000 1.485 292 H HN 0.084 nan 8.280 nan 0.000 0.543 293 N N -0.135 118.692 118.700 0.212 0.000 2.754 293 N HA -0.144 4.588 4.740 -0.014 0.000 0.248 293 N C 0.196 175.792 175.510 0.144 0.000 1.093 293 N CA 0.856 53.993 53.050 0.144 0.000 0.699 293 N CB -0.918 37.624 38.487 0.092 0.000 1.016 293 N HN 0.603 nan 8.380 nan 0.000 0.552 294 G N -0.996 107.959 108.800 0.258 0.000 2.938 294 G HA2 0.792 4.744 3.960 -0.014 0.000 0.258 294 G HA3 0.792 4.744 3.960 -0.014 0.000 0.258 294 G C -0.771 174.233 174.900 0.172 0.000 1.356 294 G CA -0.717 44.534 45.100 0.252 0.000 1.052 294 G HN 0.165 nan 8.290 nan 0.000 0.550 295 L N -0.309 121.027 121.223 0.189 0.000 2.386 295 L HA 0.565 4.897 4.340 -0.014 0.000 0.271 295 L C -1.339 175.660 176.870 0.216 0.000 0.993 295 L CA -0.702 54.231 54.840 0.155 0.000 0.819 295 L CB 2.371 44.472 42.059 0.071 0.000 1.294 295 L HN 0.505 nan 8.230 nan 0.000 0.414 296 F N 1.489 121.435 119.950 -0.005 0.000 2.532 296 F HA 0.783 5.299 4.527 -0.017 0.000 0.321 296 F C -0.735 174.962 175.800 -0.173 0.000 1.089 296 F CA -0.102 57.791 58.000 -0.177 0.000 0.926 296 F CB 2.151 41.042 39.000 -0.181 0.000 1.168 296 F HN 0.358 nan 8.300 nan 0.000 0.459 297 T N 4.852 118.629 114.554 -1.295 0.000 3.032 297 T HA 0.280 4.622 4.350 -0.014 0.000 0.312 297 T C -1.683 172.301 174.700 -1.193 0.000 1.078 297 T CA -0.572 60.881 62.100 -1.078 0.000 1.028 297 T CB 0.999 69.549 68.868 -0.529 0.000 1.091 297 T HN 0.814 nan 8.240 nan 0.000 0.457 298 C N 2.715 121.486 119.300 -0.882 0.000 2.264 298 C HA 0.767 5.219 4.460 -0.014 0.000 0.324 298 C C 1.570 176.389 174.990 -0.283 0.000 1.267 298 C CA 0.032 58.801 59.018 -0.414 0.000 1.618 298 C CB -0.879 26.783 27.740 -0.129 0.000 2.278 298 C HN 1.141 nan 8.230 nan 0.000 0.499 299 G N 4.781 113.426 108.800 -0.257 0.000 2.784 299 G HA2 0.282 4.234 3.960 -0.014 0.000 0.208 299 G HA3 0.282 4.234 3.960 -0.014 0.000 0.208 299 G C 0.232 175.047 174.900 -0.141 0.000 1.120 299 G CA 0.173 45.144 45.100 -0.216 0.000 0.774 299 G HN 0.678 nan 8.290 nan 0.000 0.528 300 I N 0.787 121.296 120.570 -0.103 0.000 2.466 300 I HA 0.558 4.720 4.170 -0.014 0.000 0.289 300 I C -1.416 174.719 176.117 0.029 0.000 1.026 300 I CA -0.772 60.499 61.300 -0.048 0.000 1.078 300 I CB 2.540 40.502 38.000 -0.063 0.000 1.249 300 I HN -0.069 nan 8.210 nan 0.000 0.429 301 I N 5.669 126.260 120.570 0.035 0.000 2.692 301 I HA 0.429 4.590 4.170 -0.014 0.000 0.293 301 I C -1.897 174.261 176.117 0.068 0.000 1.200 301 I CA -0.200 61.150 61.300 0.082 0.000 1.036 301 I CB 2.099 40.126 38.000 0.044 0.000 1.258 301 I HN 0.516 nan 8.210 nan 0.000 0.421 302 D N 7.013 127.465 120.400 0.087 0.000 2.964 302 D HA 0.542 5.174 4.640 -0.014 0.000 0.234 302 D C -1.131 175.229 176.300 0.099 0.000 1.223 302 D CA -0.319 53.732 54.000 0.086 0.000 0.889 302 D CB 2.444 43.271 40.800 0.045 0.000 1.609 302 D HN 0.560 nan 8.370 nan 0.000 0.523 303 A N 2.260 125.165 122.820 0.142 0.000 2.324 303 A HA 0.645 4.957 4.320 -0.014 0.000 0.330 303 A C -0.302 177.379 177.584 0.161 0.000 1.165 303 A CA -0.618 51.493 52.037 0.123 0.000 0.813 303 A CB 1.285 20.336 19.000 0.084 0.000 1.197 303 A HN 0.395 nan 8.150 nan 0.000 0.484 304 K N 2.388 122.849 120.400 0.101 0.000 2.259 304 K HA 0.488 4.800 4.320 -0.014 0.000 0.249 304 K C -2.260 174.385 176.600 0.076 0.000 0.942 304 K CA -1.795 54.552 56.287 0.100 0.000 0.816 304 K CB 2.265 34.806 32.500 0.069 0.000 1.155 304 K HN 0.412 nan 8.250 nan 0.000 0.428 305 P HA -0.040 nan 4.420 nan 0.000 0.257 305 P C -0.842 176.566 177.300 0.181 0.000 1.281 305 P CA 0.083 63.242 63.100 0.098 0.000 0.826 305 P CB -0.029 31.709 31.700 0.064 0.000 1.237 306 Y N -0.431 119.861 120.300 -0.013 0.000 3.027 306 Y HA -0.202 4.339 4.550 -0.014 0.000 0.146 306 Y C -1.137 174.749 175.900 -0.022 0.000 1.924 306 Y CA 0.193 58.283 58.100 -0.017 0.000 1.039 306 Y CB -2.075 36.378 38.460 -0.011 0.000 1.555 306 Y HN -0.025 nan 8.280 nan 0.000 0.371 307 S N 1.145 116.779 115.700 -0.110 0.000 2.546 307 S HA 0.473 4.934 4.470 -0.014 0.000 0.274 307 S C 0.518 175.013 174.600 -0.174 0.000 1.121 307 S CA -0.532 57.598 58.200 -0.117 0.000 0.887 307 S CB 2.010 65.180 63.200 -0.050 0.000 1.094 307 S HN 0.233 nan 8.310 nan 0.000 0.474 308 V N 2.125 121.939 119.914 -0.165 0.000 2.794 308 V HA -0.166 3.946 4.120 -0.014 0.000 0.260 308 V C 1.723 177.721 176.094 -0.159 0.000 1.103 308 V CA 1.988 64.193 62.300 -0.157 0.000 1.125 308 V CB -0.863 30.889 31.823 -0.119 0.000 0.702 308 V HN 0.911 nan 8.190 nan 0.000 0.494 309 N N -1.175 117.423 118.700 -0.170 0.000 2.294 309 N HA 0.236 4.968 4.740 -0.014 0.000 0.186 309 N C 0.311 175.628 175.510 -0.321 0.000 1.107 309 N CA -0.079 52.825 53.050 -0.243 0.000 0.884 309 N CB 0.616 38.997 38.487 -0.176 0.000 1.030 309 N HN 0.375 nan 8.380 nan 0.000 0.482 310 I N 1.522 121.972 120.570 -0.200 0.000 2.509 310 I HA 0.320 4.482 4.170 -0.014 0.000 0.293 310 I C -0.383 175.663 176.117 -0.117 0.000 1.020 310 I CA -0.791 60.419 61.300 -0.151 0.000 1.088 310 I CB 2.595 40.551 38.000 -0.073 0.000 1.267 310 I HN -0.082 nan 8.210 nan 0.000 0.430 311 I N 7.656 128.164 120.570 -0.103 0.000 2.587 311 I HA 0.087 4.249 4.170 -0.014 0.000 0.284 311 I C -2.054 174.042 176.117 -0.035 0.000 1.134 311 I CA -1.307 59.949 61.300 -0.073 0.000 1.410 311 I CB 0.160 38.118 38.000 -0.070 0.000 1.392 311 I HN 0.199 nan 8.210 nan 0.000 0.545 312 P HA -0.003 nan 4.420 nan 0.000 0.264 312 P C 0.702 178.013 177.300 0.018 0.000 1.193 312 P CA 0.221 63.323 63.100 0.002 0.000 0.763 312 P CB 0.715 32.417 31.700 0.002 0.000 0.810 313 G N 2.218 111.039 108.800 0.035 0.000 2.986 313 G HA2 0.036 3.988 3.960 -0.014 0.000 0.213 313 G HA3 0.036 3.988 3.960 -0.014 0.000 0.213 313 G C 0.063 175.005 174.900 0.071 0.000 1.156 313 G CA 0.168 45.302 45.100 0.056 0.000 0.763 313 G HN 0.554 nan 8.290 nan 0.000 0.547 314 E N -0.150 120.074 120.200 0.040 0.000 2.343 314 E HA 0.466 4.808 4.350 -0.014 0.000 0.286 314 E C -1.960 174.636 176.600 -0.007 0.000 0.915 314 E CA -0.505 55.887 56.400 -0.012 0.000 0.784 314 E CB 2.437 32.152 29.700 0.024 0.000 1.251 314 E HN -0.110 nan 8.360 nan 0.000 0.407 315 V N 2.835 122.734 119.914 -0.025 0.000 2.638 315 V HA 0.486 4.597 4.120 -0.014 0.000 0.306 315 V C -0.594 175.541 176.094 0.068 0.000 1.052 315 V CA -0.695 61.636 62.300 0.051 0.000 0.885 315 V CB 2.115 33.993 31.823 0.091 0.000 0.999 315 V HN 0.674 nan 8.190 nan 0.000 0.424 316 S N 5.043 120.794 115.700 0.084 0.000 2.454 316 S HA 0.868 5.330 4.470 -0.014 0.000 0.306 316 S C -0.784 173.911 174.600 0.158 0.000 1.100 316 S CA -0.473 57.756 58.200 0.047 0.000 1.087 316 S CB 1.022 64.223 63.200 0.002 0.000 1.019 316 S HN 0.652 nan 8.310 nan 0.000 0.480 317 F N -0.296 119.656 119.950 0.003 0.000 2.626 317 F HA 0.828 5.350 4.527 -0.008 0.000 0.311 317 F C -0.210 175.603 175.800 0.022 0.000 1.088 317 F CA -1.053 56.946 58.000 -0.001 0.000 0.949 317 F CB 0.832 39.830 39.000 -0.005 0.000 1.322 317 F HN 0.432 nan 8.300 nan 0.000 0.461 318 T N 1.212 115.847 114.554 0.135 0.000 2.902 318 T HA 0.734 5.076 4.350 -0.014 0.000 0.283 318 T C -0.967 173.772 174.700 0.066 0.000 1.009 318 T CA -0.825 61.280 62.100 0.007 0.000 1.051 318 T CB 1.585 70.392 68.868 -0.101 0.000 0.999 318 T HN 0.641 nan 8.240 nan 0.000 0.474 319 L N 2.530 123.783 121.223 0.051 0.000 2.333 319 L HA 0.497 4.829 4.340 -0.014 0.000 0.280 319 L C -0.472 176.330 176.870 -0.112 0.000 1.004 319 L CA -0.342 54.530 54.840 0.053 0.000 0.820 319 L CB 1.492 43.742 42.059 0.317 0.000 1.247 319 L HN 0.852 nan 8.230 nan 0.000 0.416 320 D N 3.698 123.863 120.400 -0.393 0.000 2.462 320 D HA 0.316 4.948 4.640 -0.014 0.000 0.249 320 D C -0.971 175.240 176.300 -0.148 0.000 1.117 320 D CA -0.219 53.629 54.000 -0.253 0.000 0.900 320 D CB 0.369 40.890 40.800 -0.464 0.000 1.039 320 D HN 0.122 nan 8.370 nan 0.000 0.516 321 F N 2.449 122.566 119.950 0.278 0.000 2.408 321 F HA 0.480 4.998 4.527 -0.014 0.000 0.344 321 F C 1.181 177.130 175.800 0.248 0.000 1.112 321 F CA -0.503 57.653 58.000 0.260 0.000 1.096 321 F CB 1.252 40.384 39.000 0.221 0.000 1.129 321 F HN -0.095 nan 8.300 nan 0.000 0.486 322 R N 2.274 123.005 120.500 0.385 0.000 2.686 322 R HA 0.486 4.818 4.340 -0.014 0.000 0.283 322 R C -1.497 174.953 176.300 0.250 0.000 0.978 322 R CA -1.026 55.244 56.100 0.284 0.000 0.897 322 R CB 2.570 32.992 30.300 0.203 0.000 1.192 322 R HN 0.657 nan 8.270 nan 0.000 0.457 323 H N 2.029 121.134 119.070 0.058 0.000 3.112 323 H HA 0.137 4.685 4.556 -0.013 0.000 0.347 323 H C -2.397 172.832 175.328 -0.165 0.000 1.188 323 H CA -1.497 54.523 56.048 -0.046 0.000 1.240 323 H CB 2.756 32.500 29.762 -0.029 0.000 1.920 323 H HN 0.220 nan 8.280 nan 0.000 0.535 324 P HA -0.138 nan 4.420 nan 0.000 0.216 324 P C 0.379 177.521 177.300 -0.262 0.000 1.153 324 P CA 1.138 63.790 63.100 -0.747 0.000 0.858 324 P CB 0.204 31.144 31.700 -1.266 0.000 0.789 325 S N -0.193 115.609 115.700 0.170 0.000 2.465 325 S HA 0.061 4.523 4.470 -0.014 0.000 0.279 325 S C 1.044 175.658 174.600 0.023 0.000 1.201 325 S CA -0.602 57.650 58.200 0.087 0.000 1.053 325 S CB -0.217 63.017 63.200 0.058 0.000 0.953 325 S HN -0.032 nan 8.310 nan 0.000 0.488 326 D N 3.842 124.236 120.400 -0.010 0.000 2.149 326 D HA -0.122 4.510 4.640 -0.014 0.000 0.198 326 D C 0.926 177.186 176.300 -0.067 0.000 0.990 326 D CA 1.307 55.287 54.000 -0.033 0.000 0.839 326 D CB 0.007 40.787 40.800 -0.033 0.000 0.948 326 D HN 0.658 nan 8.370 nan 0.000 0.460 327 D N 0.266 120.622 120.400 -0.073 0.000 2.144 327 D HA -0.076 4.556 4.640 -0.014 0.000 0.200 327 D C 2.302 178.519 176.300 -0.138 0.000 0.978 327 D CA 0.338 54.285 54.000 -0.089 0.000 0.833 327 D CB -0.072 40.688 40.800 -0.067 0.000 0.961 327 D HN 0.110 nan 8.370 nan 0.000 0.470 328 V N 1.015 120.796 119.914 -0.222 0.000 2.591 328 V HA -0.135 3.977 4.120 -0.014 0.000 0.249 328 V C 2.369 178.254 176.094 -0.349 0.000 1.053 328 V CA 0.607 62.695 62.300 -0.354 0.000 1.068 328 V CB -0.286 31.080 31.823 -0.761 0.000 0.689 328 V HN 0.101 nan 8.190 nan 0.000 0.462 329 L N 1.278 122.344 121.223 -0.262 0.000 2.012 329 L HA -0.117 4.215 4.340 -0.014 0.000 0.210 329 L C 2.499 179.255 176.870 -0.189 0.000 1.073 329 L CA 2.430 57.182 54.840 -0.147 0.000 0.748 329 L CB -0.930 41.117 42.059 -0.020 0.000 0.891 329 L HN 0.233 nan 8.230 nan 0.000 0.431 330 A N -1.828 120.898 122.820 -0.156 0.000 1.940 330 A HA -0.214 4.098 4.320 -0.014 0.000 0.219 330 A C 2.258 179.729 177.584 -0.188 0.000 1.176 330 A CA 2.294 54.240 52.037 -0.151 0.000 0.631 330 A CB -1.182 17.754 19.000 -0.108 0.000 0.814 330 A HN 0.526 nan 8.150 nan 0.000 0.446 331 T N -0.001 114.439 114.554 -0.191 0.000 2.708 331 T HA -0.155 4.187 4.350 -0.014 0.000 0.266 331 T C 1.948 176.446 174.700 -0.338 0.000 1.037 331 T CA 1.805 63.791 62.100 -0.191 0.000 1.146 331 T CB -0.309 68.502 68.868 -0.096 0.000 0.865 331 T HN 0.458 nan 8.240 nan 0.000 0.435 332 M N 0.401 119.712 119.600 -0.481 0.000 2.117 332 M HA -0.021 4.451 4.480 -0.014 0.000 0.262 332 M C 2.169 178.070 176.300 -0.665 0.000 1.065 332 M CA 1.558 56.463 55.300 -0.659 0.000 1.114 332 M CB -0.585 31.684 32.600 -0.552 0.000 1.361 332 M HN 0.183 nan 8.290 nan 0.000 0.408 333 L N -0.259 120.590 121.223 -0.622 0.000 2.083 333 L HA -0.214 4.118 4.340 -0.014 0.000 0.209 333 L C 2.587 179.221 176.870 -0.393 0.000 1.083 333 L CA 1.234 55.714 54.840 -0.600 0.000 0.752 333 L CB -0.683 41.142 42.059 -0.392 0.000 0.899 333 L HN 0.286 nan 8.230 nan 0.000 0.433 334 K N 0.405 120.628 120.400 -0.295 0.000 2.057 334 K HA -0.236 4.075 4.320 -0.014 0.000 0.206 334 K C 2.078 178.555 176.600 -0.206 0.000 1.050 334 K CA 1.641 57.807 56.287 -0.201 0.000 0.935 334 K CB 0.057 32.469 32.500 -0.146 0.000 0.715 334 K HN 0.285 nan 8.250 nan 0.000 0.439 335 E N -0.245 119.806 120.200 -0.248 0.000 2.106 335 E HA -0.141 4.201 4.350 -0.014 0.000 0.192 335 E C 1.705 178.153 176.600 -0.253 0.000 0.984 335 E CA 0.940 57.218 56.400 -0.203 0.000 0.806 335 E CB -0.026 29.560 29.700 -0.190 0.000 0.750 335 E HN 0.404 nan 8.360 nan 0.000 0.458 336 A N 1.030 123.610 122.820 -0.400 0.000 1.898 336 A HA -0.026 4.286 4.320 -0.014 0.000 0.216 336 A C 2.386 179.535 177.584 -0.725 0.000 1.181 336 A CA 1.518 53.207 52.037 -0.581 0.000 0.620 336 A CB -0.739 17.858 19.000 -0.672 0.000 0.819 336 A HN 0.383 nan 8.150 nan 0.000 0.442 337 A N -0.136 122.399 122.820 -0.475 0.000 1.933 337 A HA 0.153 4.465 4.320 -0.014 0.000 0.218 337 A C 2.435 179.988 177.584 -0.051 0.000 1.175 337 A CA 2.040 53.943 52.037 -0.223 0.000 0.628 337 A CB -0.852 18.099 19.000 -0.082 0.000 0.814 337 A HN 1.012 nan 8.150 nan 0.000 0.444 338 A N -0.370 122.401 122.820 -0.083 0.000 1.929 338 A HA -0.058 4.254 4.320 -0.014 0.000 0.216 338 A C 1.954 179.551 177.584 0.021 0.000 1.176 338 A CA 1.912 53.943 52.037 -0.010 0.000 0.628 338 A CB -0.359 18.623 19.000 -0.030 0.000 0.816 338 A HN 0.562 nan 8.150 nan 0.000 0.444 339 E N -0.377 119.812 120.200 -0.018 0.000 2.107 339 E HA -0.074 4.268 4.350 -0.014 0.000 0.191 339 E C 1.600 178.327 176.600 0.212 0.000 0.982 339 E CA 1.122 57.560 56.400 0.063 0.000 0.809 339 E CB -0.492 29.228 29.700 0.033 0.000 0.756 339 E HN 0.674 nan 8.360 nan 0.000 0.459 340 F N 0.672 120.566 119.950 -0.094 0.000 2.134 340 F HA -0.167 4.353 4.527 -0.012 0.000 0.299 340 F C 1.839 177.570 175.800 -0.115 0.000 1.097 340 F CA 0.553 58.421 58.000 -0.221 0.000 1.264 340 F CB -0.064 38.632 39.000 -0.506 0.000 1.001 340 F HN 0.077 nan 8.300 nan 0.000 0.479 341 D N -0.057 120.498 120.400 0.259 0.000 2.178 341 D HA -0.156 4.476 4.640 -0.014 0.000 0.201 341 D C 2.085 178.480 176.300 0.158 0.000 0.980 341 D CA 0.816 54.978 54.000 0.270 0.000 0.842 341 D CB -0.400 40.533 40.800 0.222 0.000 0.948 341 D HN 0.213 nan 8.370 nan 0.000 0.472 342 R N 0.221 120.791 120.500 0.116 0.000 2.055 342 R HA 0.038 4.370 4.340 -0.014 0.000 0.226 342 R C 2.401 178.738 176.300 0.063 0.000 1.135 342 R CA 0.459 56.605 56.100 0.076 0.000 0.959 342 R CB -0.311 30.024 30.300 0.058 0.000 0.854 342 R HN 0.147 nan 8.270 nan 0.000 0.431 343 L N 0.701 121.958 121.223 0.056 0.000 2.083 343 L HA -0.169 4.163 4.340 -0.014 0.000 0.209 343 L C 2.431 179.308 176.870 0.012 0.000 1.083 343 L CA 0.615 55.465 54.840 0.017 0.000 0.752 343 L CB -0.268 41.783 42.059 -0.014 0.000 0.899 343 L HN 0.265 nan 8.230 nan 0.000 0.433 344 I N 0.035 120.624 120.570 0.031 0.000 2.530 344 I HA -0.291 3.871 4.170 -0.014 0.000 0.257 344 I C 2.168 178.330 176.117 0.075 0.000 1.179 344 I CA 1.672 63.010 61.300 0.062 0.000 1.440 344 I CB -0.208 37.888 38.000 0.160 0.000 1.087 344 I HN 0.102 nan 8.210 nan 0.000 0.440 345 K N -0.352 120.089 120.400 0.069 0.000 2.379 345 K HA 0.238 4.550 4.320 -0.014 0.000 0.194 345 K C 0.384 177.011 176.600 0.043 0.000 1.031 345 K CA 0.163 56.486 56.287 0.060 0.000 1.037 345 K CB 0.290 32.826 32.500 0.060 0.000 0.824 345 K HN 0.233 nan 8.250 nan 0.000 0.516 346 I N 2.417 123.008 120.570 0.034 0.000 2.278 346 I HA 0.075 4.237 4.170 -0.014 0.000 0.296 346 I C -0.715 175.417 176.117 0.025 0.000 1.121 346 I CA -0.403 60.911 61.300 0.023 0.000 1.267 346 I CB 0.018 38.026 38.000 0.012 0.000 1.447 346 I HN 0.045 nan 8.210 nan 0.000 0.509 347 N N 3.595 122.314 118.700 0.032 0.000 2.666 347 N HA 0.127 4.859 4.740 -0.014 0.000 0.260 347 N C -0.185 175.354 175.510 0.047 0.000 1.077 347 N CA -0.445 52.632 53.050 0.044 0.000 1.026 347 N CB 1.361 39.879 38.487 0.053 0.000 1.653 347 N HN 0.296 nan 8.380 nan 0.000 0.533 348 D N 1.286 121.718 120.400 0.054 0.000 2.144 348 D HA 0.016 4.648 4.640 -0.014 0.000 0.199 348 D C 1.675 178.009 176.300 0.057 0.000 0.984 348 D CA 1.430 55.462 54.000 0.053 0.000 0.834 348 D CB -0.034 40.804 40.800 0.063 0.000 0.955 348 D HN 0.646 nan 8.370 nan 0.000 0.465 349 G N -0.853 107.988 108.800 0.068 0.000 2.956 349 G HA2 0.389 4.341 3.960 -0.014 0.000 0.207 349 G HA3 0.389 4.341 3.960 -0.014 0.000 0.207 349 G C 0.703 175.632 174.900 0.048 0.000 1.162 349 G CA 0.256 45.391 45.100 0.058 0.000 0.796 349 G HN 0.588 nan 8.290 nan 0.000 0.527 350 G N -1.736 107.092 108.800 0.047 0.000 2.570 350 G HA2 0.444 4.396 3.960 -0.014 0.000 0.686 350 G HA3 0.444 4.396 3.960 -0.014 0.000 0.686 350 G C -0.179 174.751 174.900 0.049 0.000 1.257 350 G CA -0.398 44.728 45.100 0.043 0.000 0.846 350 G HN 1.199 nan 8.290 nan 0.000 0.627 351 A N 0.117 122.967 122.820 0.050 0.000 2.401 351 A HA 0.729 5.041 4.320 -0.014 0.000 0.259 351 A C 0.574 178.201 177.584 0.070 0.000 1.103 351 A CA 0.133 52.206 52.037 0.060 0.000 0.789 351 A CB 0.448 19.484 19.000 0.059 0.000 1.035 351 A HN 1.317 nan 8.150 nan 0.000 0.491 352 L N 1.479 122.753 121.223 0.084 0.000 0.000 352 L HA 0.587 4.919 4.340 -0.014 0.000 0.000 352 L C 1.069 178.020 176.870 0.136 0.000 0.000 352 L CA 0.491 55.394 54.840 0.106 0.000 0.000 352 L CB 1.082 43.202 42.059 0.102 0.000 0.000 352 L HN 0.867 nan 8.230 nan 0.000 0.000 353 S N -1.228 114.578 115.700 0.177 0.000 2.632 353 S HA 0.812 5.274 4.470 -0.014 0.000 0.289 353 S C -1.192 173.595 174.600 0.312 0.000 1.115 353 S CA -0.691 57.633 58.200 0.207 0.000 0.889 353 S CB 1.789 65.066 63.200 0.127 0.000 1.116 353 S HN 0.558 nan 8.310 nan 0.000 0.486 354 Y N -0.861 119.519 120.300 0.134 0.000 2.562 354 Y HA 0.807 5.348 4.550 -0.014 0.000 0.345 354 Y C -1.042 174.934 175.900 0.128 0.000 1.045 354 Y CA -0.923 57.251 58.100 0.123 0.000 1.028 354 Y CB 1.384 39.889 38.460 0.075 0.000 1.297 354 Y HN 0.953 nan 8.280 nan 0.000 0.463 355 E N 1.919 122.114 120.200 -0.009 0.000 2.312 355 E HA 0.688 5.030 4.350 -0.014 0.000 0.267 355 E C -1.594 175.025 176.600 0.032 0.000 0.894 355 E CA -1.129 55.192 56.400 -0.132 0.000 0.773 355 E CB 2.411 32.101 29.700 -0.016 0.000 1.241 355 E HN 0.578 nan 8.360 nan 0.000 0.432 356 S N 0.185 115.893 115.700 0.013 0.000 2.568 356 S HA 0.394 4.856 4.470 -0.014 0.000 0.293 356 S C -1.459 173.177 174.600 0.060 0.000 1.089 356 S CA -0.651 57.609 58.200 0.101 0.000 0.945 356 S CB 1.493 64.817 63.200 0.207 0.000 1.077 356 S HN 0.590 nan 8.310 nan 0.000 0.485 357 E N 1.574 121.817 120.200 0.072 0.000 2.308 357 E HA 0.356 4.698 4.350 -0.014 0.000 0.275 357 E C -1.376 175.281 176.600 0.094 0.000 0.890 357 E CA -0.558 55.882 56.400 0.067 0.000 0.754 357 E CB 1.623 31.356 29.700 0.054 0.000 1.207 357 E HN 0.553 nan 8.360 nan 0.000 0.426 358 T N 4.717 119.325 114.554 0.091 0.000 2.870 358 T HA 0.183 4.524 4.350 -0.014 0.000 0.300 358 T C 1.220 175.995 174.700 0.125 0.000 0.989 358 T CA -0.022 62.148 62.100 0.117 0.000 1.139 358 T CB 0.674 69.594 68.868 0.085 0.000 0.920 358 T HN 0.458 nan 8.240 nan 0.000 0.537 359 L N 1.542 122.876 121.223 0.185 0.000 2.269 359 L HA 0.319 4.651 4.340 -0.014 0.000 0.200 359 L C 1.054 178.030 176.870 0.177 0.000 1.069 359 L CA 0.559 55.521 54.840 0.204 0.000 0.804 359 L CB 0.198 42.433 42.059 0.293 0.000 0.987 359 L HN 0.570 nan 8.230 nan 0.000 0.468 360 Q N -0.752 119.151 119.800 0.172 0.000 2.479 360 Q HA 0.549 4.881 4.340 -0.014 0.000 0.276 360 Q C -1.937 174.033 176.000 -0.049 0.000 0.989 360 Q CA -0.371 55.435 55.803 0.005 0.000 0.864 360 Q CB 2.998 31.650 28.738 -0.145 0.000 1.444 360 Q HN -0.167 nan 8.270 nan 0.000 0.388 361 V N 1.548 121.342 119.914 -0.200 0.000 2.888 361 V HA 0.826 4.938 4.120 -0.014 0.000 0.309 361 V C -1.182 174.561 176.094 -0.584 0.000 1.114 361 V CA -0.610 61.496 62.300 -0.322 0.000 0.940 361 V CB 2.044 33.772 31.823 -0.158 0.000 1.021 361 V HN 0.811 nan 8.190 nan 0.000 0.426 362 S N 3.086 118.298 115.700 -0.813 0.000 2.614 362 S HA 0.755 5.216 4.470 -0.014 0.000 0.275 362 S C -3.212 171.146 174.600 -0.404 0.000 1.161 362 S CA -1.389 56.417 58.200 -0.657 0.000 0.969 362 S CB 2.363 65.034 63.200 -0.881 0.000 1.059 362 S HN 0.461 nan 8.310 nan 0.000 0.482 363 P HA 0.414 nan 4.420 nan 0.000 0.272 363 P C -0.381 176.860 177.300 -0.098 0.000 1.240 363 P CA -0.375 62.641 63.100 -0.140 0.000 0.791 363 P CB 0.319 31.953 31.700 -0.111 0.000 0.978 364 A N 1.487 124.288 122.820 -0.032 0.000 2.477 364 A HA 0.341 4.653 4.320 -0.014 0.000 0.246 364 A C -0.178 177.413 177.584 0.013 0.000 1.078 364 A CA -0.044 52.023 52.037 0.049 0.000 0.770 364 A CB -0.392 18.674 19.000 0.110 0.000 1.011 364 A HN 0.353 nan 8.150 nan 0.000 0.494 365 V N 3.355 123.251 119.914 -0.029 0.000 2.398 365 V HA 0.260 4.372 4.120 -0.014 0.000 0.286 365 V C -0.216 175.654 176.094 -0.373 0.000 1.026 365 V CA -0.755 61.430 62.300 -0.192 0.000 0.868 365 V CB 1.250 32.916 31.823 -0.263 0.000 0.982 365 V HN 0.935 nan 8.190 nan 0.000 0.443 366 N N 4.106 122.631 118.700 -0.291 0.000 2.408 366 N HA 0.607 5.339 4.740 -0.014 0.000 0.280 366 N C -1.086 174.270 175.510 -0.255 0.000 1.002 366 N CA -0.548 52.298 53.050 -0.340 0.000 0.907 366 N CB 1.189 39.593 38.487 -0.138 0.000 1.161 366 N HN 0.434 nan 8.380 nan 0.000 0.488 367 F N 1.118 120.922 119.950 -0.242 0.000 2.399 367 F HA 0.150 4.670 4.527 -0.012 0.000 0.342 367 F C 1.442 177.159 175.800 -0.139 0.000 1.106 367 F CA -0.617 57.269 58.000 -0.189 0.000 1.196 367 F CB 0.332 39.183 39.000 -0.248 0.000 1.163 367 F HN 0.393 nan 8.300 nan 0.000 0.547 368 H N 3.782 122.882 119.070 0.050 0.000 3.034 368 H HA -0.048 4.500 4.556 -0.014 0.000 0.324 368 H C 1.320 176.623 175.328 -0.041 0.000 1.015 368 H CA 0.815 56.849 56.048 -0.023 0.000 1.429 368 H CB 0.869 30.595 29.762 -0.059 0.000 1.429 368 H HN 0.811 nan 8.280 nan 0.000 0.585 369 E N 2.940 123.053 120.200 -0.146 0.000 2.097 369 E HA -0.207 4.135 4.350 -0.014 0.000 0.196 369 E C 1.806 178.429 176.600 0.039 0.000 1.000 369 E CA 1.979 58.347 56.400 -0.053 0.000 0.804 369 E CB -0.239 29.400 29.700 -0.101 0.000 0.740 369 E HN 0.478 nan 8.360 nan 0.000 0.454 370 V N -0.467 119.523 119.914 0.127 0.000 2.591 370 V HA -0.118 3.994 4.120 -0.014 0.000 0.249 370 V C 2.403 178.554 176.094 0.094 0.000 1.053 370 V CA 1.126 63.441 62.300 0.025 0.000 1.068 370 V CB -0.762 30.929 31.823 -0.221 0.000 0.689 370 V HN 0.429 nan 8.190 nan 0.000 0.462 371 C N 0.343 119.691 119.300 0.080 0.000 2.435 371 C HA 0.069 4.521 4.460 -0.014 0.000 0.279 371 C C 2.666 177.695 174.990 0.064 0.000 1.321 371 C CA 1.064 60.056 59.018 -0.044 0.000 1.752 371 C CB -1.102 26.321 27.740 -0.529 0.000 1.959 371 C HN 0.581 nan 8.230 nan 0.000 0.500 372 I N 0.614 121.201 120.570 0.028 0.000 2.233 372 I HA -0.140 4.022 4.170 -0.014 0.000 0.243 372 I C 2.631 178.794 176.117 0.076 0.000 1.093 372 I CA 1.291 62.610 61.300 0.033 0.000 1.380 372 I CB -0.418 37.585 38.000 0.006 0.000 1.067 372 I HN 0.306 nan 8.210 nan 0.000 0.413 373 E N 0.122 120.373 120.200 0.086 0.000 2.110 373 E HA -0.207 4.134 4.350 -0.014 0.000 0.193 373 E C 2.345 179.017 176.600 0.119 0.000 0.988 373 E CA 1.139 57.599 56.400 0.101 0.000 0.804 373 E CB -0.397 29.353 29.700 0.083 0.000 0.745 373 E HN 0.526 nan 8.360 nan 0.000 0.458 374 C N 0.323 119.711 119.300 0.147 0.000 2.422 374 C HA -0.072 4.380 4.460 -0.014 0.000 0.279 374 C C 2.784 177.832 174.990 0.098 0.000 1.305 374 C CA 0.405 59.511 59.018 0.147 0.000 1.757 374 C CB -0.767 27.109 27.740 0.228 0.000 1.962 374 C HN 0.188 nan 8.230 nan 0.000 0.499 375 V N 0.265 120.248 119.914 0.115 0.000 2.535 375 V HA -0.103 4.009 4.120 -0.014 0.000 0.246 375 V C 2.349 178.446 176.094 0.005 0.000 1.045 375 V CA 1.907 64.236 62.300 0.048 0.000 1.058 375 V CB -0.720 31.132 31.823 0.049 0.000 0.689 375 V HN 0.516 nan 8.190 nan 0.000 0.461 376 S N 0.417 116.148 115.700 0.052 0.000 2.365 376 S HA -0.288 4.174 4.470 -0.014 0.000 0.221 376 S C 2.133 176.830 174.600 0.162 0.000 1.037 376 S CA 2.037 60.294 58.200 0.096 0.000 1.060 376 S CB -0.374 62.959 63.200 0.222 0.000 0.974 376 S HN 0.414 nan 8.310 nan 0.000 0.427 377 R N 1.214 121.839 120.500 0.208 0.000 2.073 377 R HA -0.034 4.298 4.340 -0.014 0.000 0.234 377 R C 2.700 179.081 176.300 0.136 0.000 1.134 377 R CA 1.388 57.621 56.100 0.223 0.000 0.952 377 R CB -0.829 29.560 30.300 0.149 0.000 0.850 377 R HN 0.410 nan 8.270 nan 0.000 0.433 378 S N -0.504 115.235 115.700 0.065 0.000 2.402 378 S HA -0.207 4.255 4.470 -0.014 0.000 0.233 378 S C 1.843 176.456 174.600 0.022 0.000 1.030 378 S CA 1.418 59.630 58.200 0.020 0.000 1.003 378 S CB -0.234 62.958 63.200 -0.014 0.000 0.813 378 S HN 0.465 nan 8.310 nan 0.000 0.477 379 A N 0.284 123.088 122.820 -0.027 0.000 1.855 379 A HA 0.229 4.541 4.320 -0.014 0.000 0.213 379 A C 1.791 179.387 177.584 0.020 0.000 1.195 379 A CA 1.047 53.058 52.037 -0.044 0.000 0.610 379 A CB -0.990 17.813 19.000 -0.329 0.000 0.837 379 A HN 0.564 nan 8.150 nan 0.000 0.444 380 F N 0.564 120.587 119.950 0.121 0.000 2.269 380 F HA -0.026 4.493 4.527 -0.014 0.000 0.301 380 F C 2.699 178.535 175.800 0.061 0.000 1.082 380 F CA 0.656 58.714 58.000 0.097 0.000 1.360 380 F CB -0.567 38.471 39.000 0.064 0.000 1.041 380 F HN 0.252 nan 8.300 nan 0.000 0.512 381 A N -0.537 122.399 122.820 0.192 0.000 1.969 381 A HA -0.157 4.155 4.320 -0.014 0.000 0.218 381 A C 1.971 179.548 177.584 -0.011 0.000 1.169 381 A CA 1.414 53.500 52.037 0.081 0.000 0.635 381 A CB -0.442 18.587 19.000 0.048 0.000 0.810 381 A HN 0.495 nan 8.150 nan 0.000 0.445 382 Q N -2.472 117.284 119.800 -0.074 0.000 2.280 382 Q HA 0.349 4.681 4.340 -0.014 0.000 0.228 382 Q C -0.974 174.626 176.000 -0.665 0.000 0.857 382 Q CA -0.050 55.538 55.803 -0.359 0.000 0.939 382 Q CB 0.761 29.227 28.738 -0.454 0.000 1.114 382 Q HN 0.604 nan 8.270 nan 0.000 0.514 383 F N 0.642 120.602 119.950 0.017 0.000 2.599 383 F HA 0.371 4.890 4.527 -0.013 0.000 0.311 383 F C -0.081 175.764 175.800 0.075 0.000 1.076 383 F CA -1.317 56.696 58.000 0.022 0.000 0.937 383 F CB 1.440 40.429 39.000 -0.019 0.000 1.282 383 F HN -0.357 nan 8.300 nan 0.000 0.460 384 K N 1.113 121.677 120.400 0.273 0.000 2.336 384 K HA 0.108 4.420 4.320 -0.014 0.000 0.262 384 K C 0.473 177.225 176.600 0.253 0.000 0.992 384 K CA -0.257 56.155 56.287 0.208 0.000 0.927 384 K CB 0.647 33.236 32.500 0.147 0.000 0.956 384 K HN 0.609 nan 8.250 nan 0.000 0.495 385 K N 1.226 121.774 120.400 0.247 0.000 2.439 385 K HA -0.133 4.179 4.320 -0.014 0.000 0.197 385 K C 0.872 177.598 176.600 0.211 0.000 1.041 385 K CA 1.561 58.034 56.287 0.311 0.000 0.970 385 K CB -0.022 32.589 32.500 0.186 0.000 0.773 385 K HN 0.607 nan 8.250 nan 0.000 0.479 386 D N -0.515 119.969 120.400 0.140 0.000 2.348 386 D HA -0.105 4.527 4.640 -0.014 0.000 0.211 386 D C 1.185 177.526 176.300 0.069 0.000 0.998 386 D CA 0.481 54.538 54.000 0.094 0.000 0.873 386 D CB 0.123 40.967 40.800 0.072 0.000 0.925 386 D HN 0.083 nan 8.370 nan 0.000 0.524 387 Q N 0.101 119.943 119.800 0.070 0.000 2.280 387 Q HA 0.250 4.581 4.340 -0.014 0.000 0.201 387 Q C -0.545 175.412 176.000 -0.072 0.000 0.890 387 Q CA -0.041 55.761 55.803 -0.002 0.000 0.947 387 Q CB 1.318 30.060 28.738 0.006 0.000 1.081 387 Q HN 0.166 nan 8.270 nan 0.000 0.502 388 V N 0.984 120.890 119.914 -0.013 0.000 2.823 388 V HA 0.615 4.727 4.120 -0.014 0.000 0.312 388 V C -0.503 175.602 176.094 0.019 0.000 1.072 388 V CA -1.024 61.232 62.300 -0.074 0.000 0.937 388 V CB 2.090 33.781 31.823 -0.221 0.000 1.013 388 V HN 0.290 nan 8.190 nan 0.000 0.430 389 R N 1.751 122.249 120.500 -0.004 0.000 2.692 389 R HA 0.716 5.048 4.340 -0.014 0.000 0.269 389 R C -1.618 174.704 176.300 0.036 0.000 1.030 389 R CA -1.089 55.043 56.100 0.053 0.000 0.882 389 R CB 1.461 31.795 30.300 0.057 0.000 1.250 389 R HN 0.460 nan 8.270 nan 0.000 0.465 390 Q N 0.945 120.786 119.800 0.068 0.000 2.354 390 Q HA 0.584 4.916 4.340 -0.014 0.000 0.244 390 Q C -0.625 175.415 176.000 0.067 0.000 0.969 390 Q CA -0.205 55.628 55.803 0.050 0.000 0.885 390 Q CB 1.125 29.905 28.738 0.070 0.000 1.241 390 Q HN 0.583 nan 8.270 nan 0.000 0.461 391 I N 0.010 120.603 120.570 0.039 0.000 2.787 391 I HA 0.359 4.521 4.170 -0.014 0.000 0.294 391 I C -1.699 174.449 176.117 0.051 0.000 1.365 391 I CA -0.742 60.619 61.300 0.101 0.000 1.029 391 I CB 1.205 39.279 38.000 0.124 0.000 1.313 391 I HN 0.611 nan 8.210 nan 0.000 0.431 392 W N 4.636 125.932 121.300 -0.007 0.000 2.313 392 W HA 0.453 5.104 4.660 -0.016 0.000 0.328 392 W C 0.544 177.075 176.519 0.019 0.000 1.197 392 W CA 0.120 57.448 57.345 -0.029 0.000 1.235 392 W CB 1.442 30.882 29.460 -0.032 0.000 1.158 392 W HN 0.342 nan 8.180 nan 0.000 0.578 393 S N 1.806 117.615 115.700 0.183 0.000 2.465 393 S HA 0.329 4.791 4.470 -0.014 0.000 0.279 393 S C 1.122 175.919 174.600 0.328 0.000 1.201 393 S CA 0.076 58.439 58.200 0.273 0.000 1.053 393 S CB 0.612 63.940 63.200 0.213 0.000 0.953 393 S HN 0.683 nan 8.310 nan 0.000 0.488 394 G N 4.059 113.051 108.800 0.320 0.000 2.404 394 G HA2 0.220 4.171 3.960 -0.014 0.000 0.215 394 G HA3 0.220 4.171 3.960 -0.014 0.000 0.215 394 G C 0.561 175.569 174.900 0.181 0.000 1.174 394 G CA 0.593 45.822 45.100 0.216 0.000 0.780 394 G HN 0.984 nan 8.290 nan 0.000 0.537 395 A N -0.258 122.653 122.820 0.153 0.000 2.279 395 A HA 0.693 5.005 4.320 -0.014 0.000 0.303 395 A C 0.696 178.244 177.584 -0.060 0.000 1.108 395 A CA 0.155 52.206 52.037 0.024 0.000 0.830 395 A CB 0.724 19.674 19.000 -0.083 0.000 1.106 395 A HN 0.672 nan 8.150 nan 0.000 0.493 396 G N 0.105 108.860 108.800 -0.075 0.000 2.467 396 G HA2 0.527 4.479 3.960 -0.014 0.000 0.257 396 G HA3 0.527 4.479 3.960 -0.014 0.000 0.257 396 G C -0.234 174.481 174.900 -0.308 0.000 1.227 396 G CA -0.140 44.920 45.100 -0.065 0.000 0.835 396 G HN 0.754 nan 8.290 nan 0.000 0.556 397 H N 0.174 119.289 119.070 0.075 0.000 2.960 397 H HA 0.219 4.767 4.556 -0.013 0.000 0.303 397 H C 0.189 175.517 175.328 0.001 0.000 1.412 397 H CA -0.468 55.612 56.048 0.054 0.000 1.227 397 H CB 1.750 31.576 29.762 0.106 0.000 1.912 397 H HN 0.504 nan 8.280 nan 0.000 0.583 398 D N -0.389 120.099 120.400 0.145 0.000 2.183 398 D HA -0.075 4.557 4.640 -0.014 0.000 0.203 398 D C 1.608 177.805 176.300 -0.172 0.000 0.969 398 D CA 1.008 54.906 54.000 -0.170 0.000 0.842 398 D CB 0.164 40.770 40.800 -0.322 0.000 0.957 398 D HN 0.228 nan 8.370 nan 0.000 0.484 399 S N -0.177 115.591 115.700 0.114 0.000 2.440 399 S HA -0.180 4.281 4.470 -0.014 0.000 0.238 399 S C 1.942 176.656 174.600 0.190 0.000 1.010 399 S CA 0.544 58.844 58.200 0.165 0.000 0.972 399 S CB -0.371 62.886 63.200 0.095 0.000 0.774 399 S HN 0.475 nan 8.310 nan 0.000 0.501 400 C N 1.642 121.043 119.300 0.168 0.000 2.435 400 C HA -0.001 4.451 4.460 -0.014 0.000 0.279 400 C C 2.599 177.601 174.990 0.019 0.000 1.321 400 C CA 0.239 59.322 59.018 0.108 0.000 1.752 400 C CB -0.968 26.811 27.740 0.065 0.000 1.959 400 C HN 0.573 nan 8.230 nan 0.000 0.500 401 Q N 0.472 120.244 119.800 -0.046 0.000 2.389 401 Q HA -0.037 4.295 4.340 -0.014 0.000 0.204 401 Q C 2.010 178.044 176.000 0.057 0.000 0.944 401 Q CA 1.649 57.426 55.803 -0.044 0.000 0.908 401 Q CB -0.738 27.914 28.738 -0.144 0.000 1.002 401 Q HN 0.871 nan 8.270 nan 0.000 0.493 402 T N -3.775 110.790 114.554 0.018 0.000 3.001 402 T HA 0.391 4.733 4.350 -0.014 0.000 0.251 402 T C 1.821 176.610 174.700 0.148 0.000 1.040 402 T CA 0.434 62.630 62.100 0.161 0.000 0.985 402 T CB 0.239 69.061 68.868 -0.075 0.000 1.011 402 T HN 0.118 nan 8.240 nan 0.000 0.509 403 A N 3.189 126.072 122.820 0.105 0.000 1.930 403 A HA 0.177 4.489 4.320 -0.014 0.000 0.217 403 A C 0.543 178.139 177.584 0.019 0.000 1.175 403 A CA 0.923 53.028 52.037 0.114 0.000 0.627 403 A CB -1.368 17.758 19.000 0.210 0.000 0.815 403 A HN 0.565 nan 8.150 nan 0.000 0.443 404 P HA -0.077 nan 4.420 nan 0.000 0.233 404 P C 0.503 177.537 177.300 -0.442 0.000 1.167 404 P CA 1.066 63.994 63.100 -0.286 0.000 0.770 404 P CB -0.087 31.358 31.700 -0.425 0.000 0.837 405 H N -0.808 118.191 119.070 -0.118 0.000 2.695 405 H HA 0.202 4.750 4.556 -0.014 0.000 0.267 405 H C 1.069 176.383 175.328 -0.023 0.000 0.973 405 H CA 0.575 56.497 56.048 -0.210 0.000 1.223 405 H CB 0.966 30.372 29.762 -0.594 0.000 1.442 405 H HN 0.026 nan 8.280 nan 0.000 0.478 406 V N -1.584 118.429 119.914 0.164 0.000 3.130 406 V HA 0.525 4.637 4.120 -0.014 0.000 0.310 406 V C -2.932 173.194 176.094 0.053 0.000 1.158 406 V CA -2.925 59.459 62.300 0.140 0.000 1.029 406 V CB 2.499 34.461 31.823 0.232 0.000 1.057 406 V HN -0.205 nan 8.190 nan 0.000 0.436 407 P HA 0.321 nan 4.420 nan 0.000 0.263 407 P C -0.258 176.911 177.300 -0.217 0.000 1.195 407 P CA 0.684 63.606 63.100 -0.296 0.000 0.762 407 P CB 0.274 31.576 31.700 -0.664 0.000 0.799 408 T N -0.180 114.273 114.554 -0.169 0.000 2.896 408 T HA 0.785 5.126 4.350 -0.014 0.000 0.297 408 T C -0.661 173.662 174.700 -0.627 0.000 1.108 408 T CA -0.674 61.193 62.100 -0.388 0.000 1.004 408 T CB 1.878 70.631 68.868 -0.191 0.000 1.159 408 T HN 0.243 nan 8.240 nan 0.000 0.499 409 S N 0.341 115.432 115.700 -1.015 0.000 2.727 409 S HA 0.836 5.298 4.470 -0.014 0.000 0.278 409 S C -1.821 172.182 174.600 -0.994 0.000 1.186 409 S CA -0.891 56.649 58.200 -1.101 0.000 0.836 409 S CB 1.417 64.253 63.200 -0.607 0.000 1.186 409 S HN 0.913 nan 8.310 nan 0.000 0.499 410 M N 1.310 120.511 119.600 -0.664 0.000 2.569 410 M HA 0.559 5.031 4.480 -0.014 0.000 0.279 410 M C -1.762 174.398 176.300 -0.234 0.000 1.253 410 M CA -0.474 54.575 55.300 -0.418 0.000 0.867 410 M CB 2.199 34.526 32.600 -0.455 0.000 1.727 410 M HN 0.556 nan 8.290 nan 0.000 0.467 411 I N 0.760 121.260 120.570 -0.116 0.000 2.545 411 I HA 0.518 4.679 4.170 -0.014 0.000 0.292 411 I C -1.289 174.927 176.117 0.165 0.000 1.040 411 I CA -0.365 60.917 61.300 -0.030 0.000 1.068 411 I CB 1.913 39.917 38.000 0.007 0.000 1.251 411 I HN 0.507 nan 8.210 nan 0.000 0.424 412 F N 5.350 125.284 119.950 -0.026 0.000 2.507 412 F HA 0.683 5.201 4.527 -0.014 0.000 0.327 412 F C 0.047 175.819 175.800 -0.045 0.000 1.068 412 F CA -1.148 56.847 58.000 -0.007 0.000 0.965 412 F CB 2.184 41.194 39.000 0.015 0.000 1.192 412 F HN 0.324 nan 8.300 nan 0.000 0.476 413 I N 0.672 121.300 120.570 0.096 0.000 2.689 413 I HA 0.532 4.694 4.170 -0.014 0.000 0.299 413 I C -2.792 173.263 176.117 -0.103 0.000 1.059 413 I CA -2.932 58.346 61.300 -0.037 0.000 1.055 413 I CB 1.808 39.762 38.000 -0.077 0.000 1.243 413 I HN 0.170 nan 8.210 nan 0.000 0.425 414 P HA -0.006 nan 4.420 nan 0.000 0.264 414 P C -0.561 176.644 177.300 -0.158 0.000 1.183 414 P CA 0.197 63.227 63.100 -0.118 0.000 0.763 414 P CB 0.584 32.220 31.700 -0.108 0.000 0.807 415 S N 3.171 118.791 115.700 -0.133 0.000 2.429 415 S HA 0.164 4.625 4.470 -0.014 0.000 0.302 415 S C 0.223 174.783 174.600 -0.067 0.000 1.115 415 S CA -0.674 57.456 58.200 -0.117 0.000 1.095 415 S CB 0.450 63.593 63.200 -0.095 0.000 0.987 415 S HN 0.268 nan 8.310 nan 0.000 0.474 416 K N 2.917 123.289 120.400 -0.047 0.000 2.419 416 K HA -0.032 4.280 4.320 -0.014 0.000 0.282 416 K C -0.163 176.458 176.600 0.035 0.000 1.056 416 K CA 0.644 56.947 56.287 0.026 0.000 1.035 416 K CB -0.138 32.451 32.500 0.149 0.000 0.921 416 K HN 0.660 nan 8.250 nan 0.000 0.472 417 D N 2.898 123.307 120.400 0.015 0.000 3.046 417 D HA -0.202 4.430 4.640 -0.014 0.000 0.210 417 D C 0.658 176.952 176.300 -0.010 0.000 1.124 417 D CA 1.490 55.491 54.000 0.002 0.000 0.986 417 D CB -1.353 39.449 40.800 0.003 0.000 1.118 417 D HN 0.928 nan 8.370 nan 0.000 0.416 418 G N -0.169 108.621 108.800 -0.016 0.000 2.168 418 G HA2 -0.307 3.644 3.960 -0.014 0.000 0.257 418 G HA3 -0.307 3.644 3.960 -0.014 0.000 0.257 418 G C 0.131 175.016 174.900 -0.025 0.000 0.997 418 G CA 0.500 45.583 45.100 -0.029 0.000 0.708 418 G HN 0.589 nan 8.290 nan 0.000 0.520 419 L N 1.514 122.736 121.223 -0.000 0.000 2.315 419 L HA 0.759 5.091 4.340 -0.014 0.000 0.283 419 L C 0.418 177.317 176.870 0.048 0.000 1.089 419 L CA 0.396 55.246 54.840 0.017 0.000 0.833 419 L CB 1.243 43.326 42.059 0.039 0.000 1.170 419 L HN 0.180 nan 8.230 nan 0.000 0.442 420 S N 3.202 118.922 115.700 0.034 0.000 2.759 420 S HA 0.469 4.931 4.470 -0.014 0.000 0.310 420 S C -0.173 174.537 174.600 0.184 0.000 1.123 420 S CA -0.408 57.861 58.200 0.116 0.000 0.959 420 S CB 0.484 63.737 63.200 0.087 0.000 1.172 420 S HN 0.861 nan 8.310 nan 0.000 0.539 421 H N 0.404 119.504 119.070 0.051 0.000 2.655 421 H HA -0.154 4.393 4.556 -0.014 0.000 0.313 421 H C -0.201 175.110 175.328 -0.028 0.000 1.141 421 H CA 0.747 56.804 56.048 0.016 0.000 1.138 421 H CB -1.305 28.455 29.762 -0.002 0.000 1.446 421 H HN 0.416 nan 8.280 nan 0.000 0.415 422 N N -0.742 118.019 118.700 0.100 0.000 2.598 422 N HA 0.027 4.759 4.740 -0.014 0.000 0.263 422 N C 0.486 176.061 175.510 0.108 0.000 1.254 422 N CA -0.569 52.495 53.050 0.023 0.000 0.863 422 N CB 1.038 39.561 38.487 0.060 0.000 1.586 422 N HN 0.094 nan 8.380 nan 0.000 0.491 423 Y N 0.693 121.048 120.300 0.092 0.000 2.256 423 Y HA -0.165 4.377 4.550 -0.013 0.000 0.288 423 Y C 0.853 176.713 175.900 -0.067 0.000 1.155 423 Y CA 1.058 59.173 58.100 0.025 0.000 1.203 423 Y CB 0.100 38.543 38.460 -0.029 0.000 0.980 423 Y HN 0.547 nan 8.280 nan 0.000 0.530 424 Y N 0.544 120.875 120.300 0.052 0.000 2.461 424 Y HA 0.035 4.577 4.550 -0.014 0.000 0.277 424 Y C 0.820 176.793 175.900 0.123 0.000 1.182 424 Y CA -0.451 57.603 58.100 -0.077 0.000 1.276 424 Y CB -0.357 37.923 38.460 -0.300 0.000 1.087 424 Y HN 0.041 nan 8.280 nan 0.000 0.519 425 E N 0.977 121.351 120.200 0.289 0.000 2.480 425 E HA -0.099 4.242 4.350 -0.014 0.000 0.258 425 E C -1.371 175.495 176.600 0.444 0.000 0.984 425 E CA 0.211 56.790 56.400 0.299 0.000 0.930 425 E CB 0.283 30.147 29.700 0.274 0.000 0.936 425 E HN 0.270 nan 8.360 nan 0.000 0.466 426 Y N 2.501 122.859 120.300 0.095 0.000 2.470 426 Y HA 0.368 4.910 4.550 -0.014 0.000 0.341 426 Y C -1.431 174.255 175.900 -0.357 0.000 1.021 426 Y CA -0.893 57.168 58.100 -0.065 0.000 1.025 426 Y CB 2.158 40.666 38.460 0.080 0.000 1.266 426 Y HN 0.424 nan 8.280 nan 0.000 0.448 427 S N 3.097 117.997 115.700 -1.333 0.000 2.614 427 S HA 0.430 4.892 4.470 -0.014 0.000 0.288 427 S C -0.989 172.850 174.600 -1.269 0.000 1.137 427 S CA -0.871 56.638 58.200 -1.150 0.000 0.992 427 S CB 1.227 63.911 63.200 -0.861 0.000 1.026 427 S HN 0.790 nan 8.310 nan 0.000 0.486 428 S N 3.160 118.265 115.700 -0.992 0.000 2.579 428 S HA 0.260 4.722 4.470 -0.014 0.000 0.275 428 S C -1.930 172.492 174.600 -0.297 0.000 1.345 428 S CA -0.673 57.181 58.200 -0.578 0.000 1.031 428 S CB 0.218 63.252 63.200 -0.277 0.000 0.892 428 S HN 0.343 nan 8.310 nan 0.000 0.529 429 P HA -0.170 nan 4.420 nan 0.000 0.216 429 P C 1.484 178.754 177.300 -0.050 0.000 1.157 429 P CA 1.522 64.582 63.100 -0.067 0.000 0.880 429 P CB 0.019 31.702 31.700 -0.029 0.000 0.791 430 E N -0.107 120.066 120.200 -0.045 0.000 2.058 430 E HA -0.245 4.096 4.350 -0.014 0.000 0.194 430 E C 1.902 178.492 176.600 -0.016 0.000 0.997 430 E CA 1.311 57.706 56.400 -0.008 0.000 0.801 430 E CB -0.247 29.453 29.700 0.000 0.000 0.746 430 E HN 0.276 nan 8.360 nan 0.000 0.450 431 E N 0.252 120.400 120.200 -0.086 0.000 2.085 431 E HA -0.211 4.131 4.350 -0.014 0.000 0.194 431 E C 2.181 178.729 176.600 -0.086 0.000 0.994 431 E CA 1.490 57.821 56.400 -0.115 0.000 0.801 431 E CB -0.147 29.435 29.700 -0.196 0.000 0.743 431 E HN 0.365 nan 8.360 nan 0.000 0.453 432 I N 0.823 121.335 120.570 -0.097 0.000 2.163 432 I HA -0.290 3.872 4.170 -0.014 0.000 0.243 432 I C 2.607 178.755 176.117 0.051 0.000 1.085 432 I CA 1.382 62.658 61.300 -0.040 0.000 1.347 432 I CB -0.224 37.752 38.000 -0.041 0.000 1.044 432 I HN 0.103 nan 8.210 nan 0.000 0.408 433 E N 1.215 121.453 120.200 0.064 0.000 2.106 433 E HA -0.211 4.131 4.350 -0.014 0.000 0.192 433 E C 1.896 178.613 176.600 0.194 0.000 0.984 433 E CA 1.406 57.892 56.400 0.144 0.000 0.806 433 E CB -0.038 29.725 29.700 0.105 0.000 0.750 433 E HN 0.484 nan 8.360 nan 0.000 0.458 434 N N -0.545 118.253 118.700 0.163 0.000 2.104 434 N HA -0.155 4.577 4.740 -0.014 0.000 0.190 434 N C 1.899 177.500 175.510 0.151 0.000 1.024 434 N CA 0.772 53.973 53.050 0.251 0.000 0.853 434 N CB -0.243 38.301 38.487 0.095 0.000 1.008 434 N HN 0.215 nan 8.380 nan 0.000 0.424 435 G N 0.780 109.621 108.800 0.069 0.000 2.421 435 G HA2 -0.274 3.678 3.960 -0.014 0.000 0.216 435 G HA3 -0.274 3.678 3.960 -0.014 0.000 0.216 435 G C 1.263 176.223 174.900 0.101 0.000 1.171 435 G CA 0.343 45.475 45.100 0.054 0.000 0.775 435 G HN 0.287 nan 8.290 nan 0.000 0.543 436 F N 1.653 121.606 119.950 0.004 0.000 2.134 436 F HA 0.057 4.576 4.527 -0.014 0.000 0.299 436 F C 2.612 178.408 175.800 -0.007 0.000 1.097 436 F CA 1.650 59.643 58.000 -0.011 0.000 1.264 436 F CB -0.200 38.789 39.000 -0.017 0.000 1.001 436 F HN 0.044 nan 8.300 nan 0.000 0.479 437 K N -0.182 120.143 120.400 -0.126 0.000 2.160 437 K HA -0.153 4.159 4.320 -0.014 0.000 0.206 437 K C 1.988 178.480 176.600 -0.180 0.000 1.047 437 K CA 1.586 57.753 56.287 -0.201 0.000 0.930 437 K CB -0.376 32.125 32.500 0.001 0.000 0.720 437 K HN 0.237 nan 8.250 nan 0.000 0.450 438 V N 0.928 120.804 119.914 -0.062 0.000 2.407 438 V HA -0.172 3.939 4.120 -0.014 0.000 0.245 438 V C 2.006 178.018 176.094 -0.136 0.000 1.041 438 V CA 1.089 63.361 62.300 -0.046 0.000 1.040 438 V CB -0.276 31.557 31.823 0.018 0.000 0.671 438 V HN 0.252 nan 8.190 nan 0.000 0.455 439 L N 0.075 121.197 121.223 -0.168 0.000 2.083 439 L HA -0.133 4.199 4.340 -0.014 0.000 0.209 439 L C 2.165 178.852 176.870 -0.304 0.000 1.083 439 L CA 1.826 56.548 54.840 -0.197 0.000 0.752 439 L CB -0.722 41.275 42.059 -0.104 0.000 0.899 439 L HN 0.299 nan 8.230 nan 0.000 0.433 440 L N -0.615 120.318 121.223 -0.484 0.000 1.970 440 L HA -0.252 4.080 4.340 -0.014 0.000 0.212 440 L C 2.516 179.242 176.870 -0.241 0.000 1.071 440 L CA 1.949 56.500 54.840 -0.481 0.000 0.751 440 L CB -0.820 40.814 42.059 -0.707 0.000 0.889 440 L HN 0.360 nan 8.230 nan 0.000 0.432 441 Q N -0.504 119.172 119.800 -0.206 0.000 2.119 441 Q HA -0.110 4.222 4.340 -0.014 0.000 0.201 441 Q C 2.294 178.234 176.000 -0.101 0.000 0.972 441 Q CA 1.520 57.253 55.803 -0.116 0.000 0.847 441 Q CB -0.508 28.176 28.738 -0.091 0.000 0.903 441 Q HN 0.704 nan 8.270 nan 0.000 0.433 442 A N 1.419 124.145 122.820 -0.157 0.000 1.892 442 A HA -0.208 4.103 4.320 -0.014 0.000 0.218 442 A C 2.004 179.367 177.584 -0.368 0.000 1.188 442 A CA 1.536 53.438 52.037 -0.224 0.000 0.631 442 A CB -0.615 18.225 19.000 -0.266 0.000 0.822 442 A HN 0.297 nan 8.150 nan 0.000 0.447 443 I N -0.290 120.050 120.570 -0.382 0.000 2.315 443 I HA -0.201 3.961 4.170 -0.014 0.000 0.248 443 I C 2.414 178.545 176.117 0.023 0.000 1.117 443 I CA 1.210 62.340 61.300 -0.283 0.000 1.404 443 I CB -1.221 36.691 38.000 -0.147 0.000 1.071 443 I HN 0.320 nan 8.210 nan 0.000 0.419 444 I N 0.950 121.563 120.570 0.071 0.000 2.252 444 I HA -0.288 3.874 4.170 -0.014 0.000 0.245 444 I C 2.122 178.320 176.117 0.135 0.000 1.102 444 I CA 1.359 62.752 61.300 0.156 0.000 1.385 444 I CB -0.515 37.568 38.000 0.139 0.000 1.064 444 I HN 0.307 nan 8.210 nan 0.000 0.414 445 N N -0.136 118.618 118.700 0.091 0.000 2.149 445 N HA -0.261 4.471 4.740 -0.014 0.000 0.188 445 N C 1.911 177.532 175.510 0.186 0.000 1.019 445 N CA 1.187 54.307 53.050 0.117 0.000 0.857 445 N CB -0.162 38.378 38.487 0.089 0.000 0.997 445 N HN 0.328 nan 8.380 nan 0.000 0.426 446 Y N 1.504 121.843 120.300 0.065 0.000 2.337 446 Y HA -0.107 4.435 4.550 -0.013 0.000 0.293 446 Y C 1.950 177.980 175.900 0.216 0.000 1.123 446 Y CA 1.117 59.309 58.100 0.154 0.000 1.201 446 Y CB -0.079 38.451 38.460 0.117 0.000 1.011 446 Y HN -0.020 nan 8.280 nan 0.000 0.545 447 D N -0.334 120.229 120.400 0.272 0.000 2.218 447 D HA -0.183 4.449 4.640 -0.014 0.000 0.204 447 D C 1.525 177.932 176.300 0.177 0.000 0.976 447 D CA 1.398 55.543 54.000 0.242 0.000 0.853 447 D CB -0.158 40.779 40.800 0.228 0.000 0.939 447 D HN 0.290 nan 8.370 nan 0.000 0.481 448 N N -0.860 117.925 118.700 0.141 0.000 2.354 448 N HA -0.143 4.589 4.740 -0.014 0.000 0.179 448 N C 1.448 177.006 175.510 0.080 0.000 1.021 448 N CA 0.486 53.600 53.050 0.107 0.000 0.887 448 N CB -0.396 38.154 38.487 0.105 0.000 0.974 448 N HN 0.409 nan 8.380 nan 0.000 0.437 449 Y N 2.053 122.309 120.300 -0.073 0.000 2.263 449 Y HA 0.010 4.552 4.550 -0.013 0.000 0.292 449 Y C 2.182 177.966 175.900 -0.194 0.000 1.130 449 Y CA 1.262 59.279 58.100 -0.138 0.000 1.179 449 Y CB 0.041 38.376 38.460 -0.210 0.000 0.998 449 Y HN -0.127 nan 8.280 nan 0.000 0.532 450 R N -0.423 119.898 120.500 -0.298 0.000 2.115 450 R HA -0.110 4.222 4.340 -0.014 0.000 0.230 450 R C 2.062 178.206 176.300 -0.260 0.000 1.111 450 R CA 1.382 57.223 56.100 -0.431 0.000 0.976 450 R CB -0.399 29.582 30.300 -0.532 0.000 0.870 450 R HN 0.288 nan 8.270 nan 0.000 0.445 451 V N 1.407 121.321 119.914 -0.000 0.000 2.244 451 V HA -0.239 3.873 4.120 -0.014 0.000 0.244 451 V C 2.246 178.302 176.094 -0.063 0.000 1.042 451 V CA 1.817 64.165 62.300 0.081 0.000 1.006 451 V CB -0.457 31.421 31.823 0.092 0.000 0.641 451 V HN 0.230 nan 8.190 nan 0.000 0.446 452 I N -0.543 119.950 120.570 -0.128 0.000 2.194 452 I HA -0.208 3.954 4.170 -0.014 0.000 0.246 452 I C 1.933 177.920 176.117 -0.217 0.000 1.093 452 I CA 1.225 62.437 61.300 -0.146 0.000 1.355 452 I CB -0.402 37.521 38.000 -0.127 0.000 1.046 452 I HN 0.230 nan 8.210 nan 0.000 0.413 453 R N 0.000 120.255 120.500 -0.408 0.000 2.786 453 R HA 0.000 4.332 4.340 -0.014 0.000 0.208 453 R CA 0.000 55.867 56.100 -0.389 0.000 0.921 453 R CB 0.000 29.911 30.300 -0.648 0.000 0.687 453 R HN 0.000 nan 8.270 nan 0.000 0.535