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 2gyv_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcXXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.622 176.600 0.037 0.000 1.382 4 E CA 0.000 56.417 56.400 0.028 0.000 0.976 4 E CB 0.000 29.717 29.700 0.029 0.000 0.812 5 D N 5.436 125.865 120.400 0.049 0.000 2.412 5 D HA 0.295 4.962 4.640 0.045 0.000 0.224 5 D C -1.626 174.705 176.300 0.053 0.000 1.093 5 D CA -2.350 51.690 54.000 0.067 0.000 0.850 5 D CB 1.601 42.468 40.800 0.112 0.000 1.046 5 D HN 0.230 nan 8.370 nan 0.000 0.507 6 P HA -0.175 nan 4.420 nan 0.000 0.218 6 P C 1.052 178.353 177.300 0.002 0.000 1.146 6 P CA 0.866 63.974 63.100 0.013 0.000 0.813 6 P CB 0.513 32.210 31.700 -0.004 0.000 0.778 7 Q N -0.775 119.004 119.800 -0.036 0.000 2.369 7 Q HA 0.058 4.425 4.340 0.045 0.000 0.206 7 Q C 1.905 177.953 176.000 0.081 0.000 0.963 7 Q CA 0.781 56.529 55.803 -0.091 0.000 0.894 7 Q CB -0.193 28.281 28.738 -0.440 0.000 0.965 7 Q HN 0.425 nan 8.270 nan 0.000 0.475 8 L N -0.135 121.158 121.223 0.118 0.000 2.667 8 L HA 0.245 4.612 4.340 0.045 0.000 0.232 8 L C 0.349 177.388 176.870 0.281 0.000 1.138 8 L CA -0.086 54.861 54.840 0.179 0.000 0.921 8 L CB 0.403 42.493 42.059 0.051 0.000 1.180 8 L HN -0.017 nan 8.230 nan 0.000 0.487 9 L N 1.142 122.480 121.223 0.192 0.000 2.287 9 L HA 0.496 4.862 4.340 0.045 0.000 0.287 9 L C -0.959 175.947 176.870 0.061 0.000 1.022 9 L CA -0.442 54.484 54.840 0.144 0.000 0.814 9 L CB 2.030 44.132 42.059 0.072 0.000 1.217 9 L HN -0.194 nan 8.230 nan 0.000 0.420 10 V N 4.069 123.994 119.914 0.019 0.000 2.577 10 V HA 0.379 4.526 4.120 0.045 0.000 0.303 10 V C -0.128 175.891 176.094 -0.125 0.000 1.042 10 V CA -0.794 61.362 62.300 -0.240 0.000 0.872 10 V CB 1.976 33.317 31.823 -0.803 0.000 0.998 10 V HN 0.689 nan 8.190 nan 0.000 0.423 11 R N 4.200 124.613 120.500 -0.145 0.000 2.220 11 R HA 0.582 4.948 4.340 0.045 0.000 0.340 11 R C -0.344 175.867 176.300 -0.147 0.000 1.076 11 R CA -0.270 55.773 56.100 -0.095 0.000 0.920 11 R CB 0.835 31.080 30.300 -0.092 0.000 1.062 11 R HN 0.716 nan 8.270 nan 0.000 0.469 12 V N 2.016 121.900 119.914 -0.050 0.000 3.336 12 V HA 0.412 4.559 4.120 0.045 0.000 0.314 12 V C 1.523 177.550 176.094 -0.112 0.000 1.088 12 V CA -0.840 61.428 62.300 -0.053 0.000 1.033 12 V CB 1.412 33.358 31.823 0.205 0.000 1.181 12 V HN 0.842 nan 8.190 nan 0.000 0.449 13 R N 1.223 121.636 120.500 -0.145 0.000 2.113 13 R HA -0.104 4.263 4.340 0.045 0.000 0.244 13 R C 1.878 178.037 176.300 -0.234 0.000 1.142 13 R CA 2.385 58.389 56.100 -0.161 0.000 0.953 13 R CB -0.993 29.224 30.300 -0.139 0.000 0.860 13 R HN 1.040 nan 8.270 nan 0.000 0.438 14 G N -1.894 106.712 108.800 -0.322 0.000 2.985 14 G HA2 0.409 4.396 3.960 0.045 0.000 0.209 14 G HA3 0.409 4.396 3.960 0.045 0.000 0.209 14 G C 0.173 174.114 174.900 -1.598 0.000 1.165 14 G CA 0.331 44.980 45.100 -0.751 0.000 0.776 14 G HN 0.696 nan 8.290 nan 0.000 0.541 15 G N -0.965 107.237 108.800 -0.997 0.000 2.325 15 G HA2 0.083 4.070 3.960 0.045 0.000 0.285 15 G HA3 0.083 4.070 3.960 0.045 0.000 0.285 15 G C -1.105 173.753 174.900 -0.070 0.000 1.303 15 G CA -0.976 43.657 45.100 -0.779 0.000 0.970 15 G HN 0.261 nan 8.290 nan 0.000 0.490 16 Q N -0.521 119.402 119.800 0.206 0.000 2.230 16 Q HA 0.713 5.080 4.340 0.045 0.000 0.248 16 Q C -0.544 175.766 176.000 0.517 0.000 0.915 16 Q CA -0.297 55.688 55.803 0.304 0.000 0.900 16 Q CB 1.899 30.744 28.738 0.178 0.000 1.229 16 Q HN 0.459 nan 8.270 nan 0.000 0.439 17 L N 1.242 122.679 121.223 0.357 0.000 2.401 17 L HA 0.577 4.944 4.340 0.045 0.000 0.266 17 L C -0.464 176.581 176.870 0.292 0.000 0.991 17 L CA -0.724 54.319 54.840 0.339 0.000 0.818 17 L CB 2.305 44.618 42.059 0.424 0.000 1.321 17 L HN 0.412 nan 8.230 nan 0.000 0.413 18 R N 0.815 121.449 120.500 0.223 0.000 2.265 18 R HA 0.598 4.965 4.340 0.045 0.000 0.328 18 R C -0.099 176.276 176.300 0.124 0.000 0.969 18 R CA -0.320 55.882 56.100 0.170 0.000 0.832 18 R CB 1.585 31.931 30.300 0.076 0.000 1.139 18 R HN 0.851 nan 8.270 nan 0.000 0.457 19 G N 3.277 112.105 108.800 0.047 0.000 2.543 19 G HA2 0.381 4.367 3.960 0.045 0.000 0.290 19 G HA3 0.381 4.367 3.960 0.045 0.000 0.290 19 G C -0.818 173.877 174.900 -0.341 0.000 1.310 19 G CA -0.667 44.150 45.100 -0.472 0.000 1.025 19 G HN 0.602 nan 8.290 nan 0.000 0.502 20 I N -0.755 119.566 120.570 -0.414 0.000 2.509 20 I HA 0.485 4.682 4.170 0.045 0.000 0.293 20 I C 0.156 176.136 176.117 -0.228 0.000 1.020 20 I CA -1.139 60.010 61.300 -0.251 0.000 1.088 20 I CB 1.807 39.669 38.000 -0.230 0.000 1.267 20 I HN 0.436 nan 8.210 nan 0.000 0.430 21 R N 7.700 128.125 120.500 -0.125 0.000 2.296 21 R HA 0.423 4.790 4.340 0.045 0.000 0.323 21 R C -1.475 174.743 176.300 -0.136 0.000 1.067 21 R CA -0.162 55.874 56.100 -0.107 0.000 0.946 21 R CB 0.356 30.569 30.300 -0.145 0.000 0.991 21 R HN 0.641 nan 8.270 nan 0.000 0.448 22 L N 3.902 125.058 121.223 -0.112 0.000 2.334 22 L HA 0.426 4.793 4.340 0.045 0.000 0.272 22 L C -0.081 176.723 176.870 -0.109 0.000 1.020 22 L CA -0.911 53.872 54.840 -0.095 0.000 0.812 22 L CB 1.790 43.823 42.059 -0.043 0.000 1.264 22 L HN 0.551 nan 8.230 nan 0.000 0.439 23 K N 1.896 122.232 120.400 -0.107 0.000 2.211 23 K HA 0.689 5.035 4.320 0.045 0.000 0.275 23 K C -0.933 175.595 176.600 -0.119 0.000 1.024 23 K CA -0.330 55.893 56.287 -0.107 0.000 0.887 23 K CB 1.512 33.960 32.500 -0.086 0.000 1.084 23 K HN 0.673 nan 8.250 nan 0.000 0.463 24 A N 4.965 127.713 122.820 -0.120 0.000 2.356 24 A HA 0.514 4.860 4.320 0.045 0.000 0.323 24 A C -1.980 175.586 177.584 -0.030 0.000 1.119 24 A CA -1.861 50.087 52.037 -0.148 0.000 0.790 24 A CB 1.000 19.872 19.000 -0.214 0.000 1.273 24 A HN 0.729 nan 8.150 nan 0.000 0.452 25 P HA -0.153 nan 4.420 nan 0.000 0.217 25 P C 1.246 178.568 177.300 0.036 0.000 1.148 25 P CA 2.126 65.263 63.100 0.062 0.000 0.828 25 P CB 0.080 31.848 31.700 0.113 0.000 0.783 26 G N -1.497 107.326 108.800 0.039 0.000 2.985 26 G HA2 0.410 4.397 3.960 0.045 0.000 0.209 26 G HA3 0.410 4.397 3.960 0.045 0.000 0.209 26 G C 0.632 175.540 174.900 0.014 0.000 1.165 26 G CA 0.525 45.642 45.100 0.029 0.000 0.776 26 G HN 0.676 nan 8.290 nan 0.000 0.541 27 G N -0.496 108.300 108.800 -0.005 0.000 2.369 27 G HA2 0.271 4.258 3.960 0.045 0.000 0.295 27 G HA3 0.271 4.258 3.960 0.045 0.000 0.295 27 G C -3.277 171.589 174.900 -0.057 0.000 1.298 27 G CA -0.700 44.384 45.100 -0.027 0.000 0.940 27 G HN 0.049 nan 8.290 nan 0.000 0.536 28 P HA 0.435 nan 4.420 nan 0.000 0.269 28 P C 0.110 177.400 177.300 -0.016 0.000 1.209 28 P CA 0.145 63.132 63.100 -0.190 0.000 0.776 28 P CB 1.389 32.746 31.700 -0.572 0.000 0.876 29 V N -0.457 119.466 119.914 0.015 0.000 2.823 29 V HA 0.563 4.709 4.120 0.045 0.000 0.312 29 V C -0.253 175.947 176.094 0.177 0.000 1.072 29 V CA -0.851 61.544 62.300 0.158 0.000 0.937 29 V CB 1.887 33.805 31.823 0.159 0.000 1.013 29 V HN 0.407 nan 8.190 nan 0.000 0.430 30 S N 3.023 118.884 115.700 0.268 0.000 2.465 30 S HA 0.772 5.268 4.470 0.045 0.000 0.279 30 S C 0.191 174.747 174.600 -0.074 0.000 1.201 30 S CA 0.081 58.347 58.200 0.110 0.000 1.053 30 S CB 0.999 64.353 63.200 0.258 0.000 0.953 30 S HN 1.539 nan 8.310 nan 0.000 0.488 31 A N 3.187 125.766 122.820 -0.402 0.000 2.331 31 A HA 0.787 5.134 4.320 0.045 0.000 0.320 31 A C -0.991 176.092 177.584 -0.835 0.000 1.138 31 A CA -0.651 51.042 52.037 -0.572 0.000 0.790 31 A CB 0.297 18.963 19.000 -0.557 0.000 1.206 31 A HN 0.684 nan 8.150 nan 0.000 0.470 32 F N 2.988 122.747 119.950 -0.319 0.000 2.359 32 F HA 0.458 5.011 4.527 0.045 0.000 0.369 32 F C -0.222 175.364 175.800 -0.357 0.000 1.084 32 F CA -0.357 57.532 58.000 -0.184 0.000 1.096 32 F CB 1.070 40.125 39.000 0.091 0.000 1.335 32 F HN 0.332 nan 8.300 nan 0.000 0.457 33 L N 1.984 123.020 121.223 -0.312 0.000 2.325 33 L HA 0.746 5.113 4.340 0.045 0.000 0.278 33 L C 0.972 177.723 176.870 -0.197 0.000 1.023 33 L CA -0.970 53.630 54.840 -0.399 0.000 0.811 33 L CB 1.649 43.259 42.059 -0.749 0.000 1.249 33 L HN 0.812 nan 8.230 nan 0.000 0.431 34 G N 2.766 111.522 108.800 -0.074 0.000 2.182 34 G HA2 -0.246 3.740 3.960 0.045 0.000 0.248 34 G HA3 -0.246 3.740 3.960 0.045 0.000 0.248 34 G C -0.076 174.824 174.900 -0.000 0.000 1.042 34 G CA -0.378 44.668 45.100 -0.089 0.000 0.775 34 G HN 0.475 nan 8.290 nan 0.000 0.501 35 I N 1.634 122.232 120.570 0.048 0.000 2.471 35 I HA 0.240 4.437 4.170 0.045 0.000 0.286 35 I C -1.687 174.513 176.117 0.137 0.000 1.079 35 I CA -2.072 59.246 61.300 0.030 0.000 1.398 35 I CB 0.977 38.925 38.000 -0.087 0.000 1.403 35 I HN -0.067 nan 8.210 nan 0.000 0.530 36 P HA 0.103 nan 4.420 nan 0.000 0.280 36 P C -0.243 177.018 177.300 -0.065 0.000 1.244 36 P CA -0.088 62.931 63.100 -0.135 0.000 0.784 36 P CB 0.421 32.041 31.700 -0.134 0.000 0.913 37 F N 0.619 120.422 119.950 -0.246 0.000 2.746 37 F HA 0.756 5.310 4.527 0.045 0.000 0.320 37 F C 0.043 175.852 175.800 0.015 0.000 1.097 37 F CA -0.665 57.265 58.000 -0.116 0.000 1.195 37 F CB 0.132 38.954 39.000 -0.296 0.000 1.056 37 F HN 0.286 nan 8.300 nan 0.000 0.562 38 A N 0.197 122.701 122.820 -0.526 0.000 2.566 38 A HA 0.594 4.940 4.320 0.045 0.000 0.292 38 A C -0.804 176.607 177.584 -0.288 0.000 1.112 38 A CA -0.779 51.049 52.037 -0.347 0.000 0.707 38 A CB 0.988 19.680 19.000 -0.513 0.000 1.302 38 A HN 0.080 nan 8.150 nan 0.000 0.409 39 E N 1.296 121.411 120.200 -0.142 0.000 2.415 39 E HA 0.192 4.569 4.350 0.045 0.000 0.263 39 E C -2.301 174.191 176.600 -0.180 0.000 0.995 39 E CA -1.289 55.043 56.400 -0.112 0.000 0.915 39 E CB -0.078 29.596 29.700 -0.044 0.000 0.951 39 E HN 0.217 nan 8.360 nan 0.000 0.449 40 P HA -0.050 nan 4.420 nan 0.000 0.255 40 P C -2.228 174.995 177.300 -0.129 0.000 1.161 40 P CA -0.483 62.516 63.100 -0.169 0.000 0.768 40 P CB -0.102 31.541 31.700 -0.094 0.000 0.746 41 P HA 0.016 nan 4.420 nan 0.000 0.220 41 P C -0.358 176.873 177.300 -0.115 0.000 1.806 41 P CA 0.126 63.160 63.100 -0.110 0.000 0.976 41 P CB -0.099 31.540 31.700 -0.103 0.000 1.952 42 V N -2.360 117.494 119.914 -0.100 0.000 3.019 42 V HA 0.902 5.048 4.120 0.045 0.000 0.317 42 V C 0.991 177.036 176.094 -0.082 0.000 1.094 42 V CA 0.067 62.306 62.300 -0.101 0.000 1.000 42 V CB 0.917 32.689 31.823 -0.085 0.000 1.060 42 V HN 0.555 nan 8.190 nan 0.000 0.443 43 G N 2.689 111.441 108.800 -0.080 0.000 2.629 43 G HA2 -0.365 3.622 3.960 0.045 0.000 0.313 43 G HA3 -0.365 3.622 3.960 0.045 0.000 0.313 43 G C 1.291 176.158 174.900 -0.056 0.000 1.217 43 G CA 1.889 46.955 45.100 -0.056 0.000 0.994 43 G HN 2.360 nan 8.290 nan 0.000 0.549 44 S N 0.130 115.812 115.700 -0.030 0.000 2.481 44 S HA 0.076 4.572 4.470 0.045 0.000 0.231 44 S C 1.932 176.524 174.600 -0.013 0.000 0.996 44 S CA 1.547 59.741 58.200 -0.009 0.000 0.942 44 S CB 0.035 63.238 63.200 0.005 0.000 0.768 44 S HN 0.569 nan 8.310 nan 0.000 0.520 45 R N 1.354 121.831 120.500 -0.037 0.000 2.310 45 R HA 0.248 4.615 4.340 0.045 0.000 0.202 45 R C 0.718 176.968 176.300 -0.082 0.000 0.933 45 R CA -0.084 55.993 56.100 -0.038 0.000 1.054 45 R CB -0.531 29.745 30.300 -0.041 0.000 0.985 45 R HN 0.519 nan 8.270 nan 0.000 0.489 46 R N 0.634 121.037 120.500 -0.162 0.000 2.522 46 R HA -0.092 4.275 4.340 0.045 0.000 0.284 46 R C -0.231 175.841 176.300 -0.381 0.000 1.032 46 R CA 0.379 56.240 56.100 -0.399 0.000 1.049 46 R CB 0.069 29.995 30.300 -0.623 0.000 0.956 46 R HN 0.066 nan 8.270 nan 0.000 0.422 47 F N -0.292 119.674 119.950 0.026 0.000 2.656 47 F HA -0.272 4.281 4.527 0.045 0.000 0.381 47 F C -0.137 175.659 175.800 -0.007 0.000 0.603 47 F CA 0.427 58.419 58.000 -0.013 0.000 1.335 47 F CB -1.448 37.533 39.000 -0.031 0.000 1.836 47 F HN 0.448 nan 8.300 nan 0.000 0.290 48 M N 1.082 120.749 119.600 0.112 0.000 2.367 48 M HA 0.417 4.924 4.480 0.045 0.000 0.339 48 M C -1.980 174.356 176.300 0.060 0.000 1.177 48 M CA -2.004 53.347 55.300 0.085 0.000 1.068 48 M CB 0.448 33.081 32.600 0.056 0.000 1.602 48 M HN -0.368 nan 8.290 nan 0.000 0.457 49 P HA 0.015 nan 4.420 nan 0.000 0.263 49 P C -2.355 174.981 177.300 0.061 0.000 1.175 49 P CA -0.312 62.833 63.100 0.076 0.000 0.761 49 P CB -0.549 31.205 31.700 0.088 0.000 0.794 50 P HA 0.063 nan 4.420 nan 0.000 0.271 50 P C -0.520 176.815 177.300 0.059 0.000 1.216 50 P CA 0.247 63.371 63.100 0.040 0.000 0.776 50 P CB 0.777 32.519 31.700 0.070 0.000 0.881 51 E N 4.469 124.687 120.200 0.030 0.000 2.231 51 E HA 0.320 4.697 4.350 0.045 0.000 0.277 51 E C -2.085 174.550 176.600 0.058 0.000 0.999 51 E CA -2.457 53.972 56.400 0.048 0.000 0.827 51 E CB 0.074 29.793 29.700 0.033 0.000 1.101 51 E HN 0.395 nan 8.360 nan 0.000 0.393 52 P HA -0.093 nan 4.420 nan 0.000 0.265 52 P C -0.540 176.834 177.300 0.122 0.000 1.187 52 P CA -0.027 63.159 63.100 0.142 0.000 0.766 52 P CB 0.486 32.274 31.700 0.147 0.000 0.820 53 K N 4.130 124.629 120.400 0.166 0.000 2.416 53 K HA 0.048 4.395 4.320 0.045 0.000 0.283 53 K C 0.223 176.950 176.600 0.213 0.000 1.037 53 K CA 0.109 56.498 56.287 0.169 0.000 0.995 53 K CB 0.115 32.758 32.500 0.238 0.000 0.938 53 K HN 0.256 nan 8.250 nan 0.000 0.475 54 R N 5.094 125.696 120.500 0.170 0.000 2.623 54 R HA 0.091 4.458 4.340 0.045 0.000 0.271 54 R C -2.019 174.402 176.300 0.202 0.000 1.043 54 R CA -1.426 54.761 56.100 0.145 0.000 1.083 54 R CB 0.000 30.368 30.300 0.113 0.000 0.974 54 R HN 0.580 nan 8.270 nan 0.000 0.436 55 P HA -0.078 nan 4.420 nan 0.000 0.267 55 P C -1.200 176.114 177.300 0.024 0.000 1.200 55 P CA 0.156 63.173 63.100 -0.140 0.000 0.772 55 P CB 0.338 31.924 31.700 -0.190 0.000 0.855 56 W N 0.993 122.333 121.300 0.066 0.000 2.799 56 W HA 0.687 5.374 4.660 0.045 0.000 0.349 56 W C -0.470 176.078 176.519 0.049 0.000 1.100 56 W CA -0.991 56.389 57.345 0.058 0.000 1.174 56 W CB -0.007 29.496 29.460 0.072 0.000 1.427 56 W HN 0.370 nan 8.180 nan 0.000 0.547 57 S N 1.481 117.337 115.700 0.261 0.000 2.645 57 S HA 0.742 5.238 4.470 0.045 0.000 0.266 57 S C 0.789 175.542 174.600 0.254 0.000 1.258 57 S CA 0.071 58.364 58.200 0.155 0.000 0.990 57 S CB 0.607 63.878 63.200 0.118 0.000 0.967 57 S HN 2.042 nan 8.310 nan 0.000 0.556 58 G N -0.100 108.795 108.800 0.158 0.000 2.591 58 G HA2 -0.204 3.783 3.960 0.045 0.000 0.278 58 G HA3 -0.204 3.783 3.960 0.045 0.000 0.278 58 G C -0.443 174.608 174.900 0.252 0.000 1.293 58 G CA -0.063 45.136 45.100 0.164 0.000 0.930 58 G HN 1.685 nan 8.290 nan 0.000 0.562 59 V N 0.880 120.912 119.914 0.196 0.000 2.311 59 V HA 0.466 4.613 4.120 0.045 0.000 0.275 59 V C 0.836 177.019 176.094 0.149 0.000 1.022 59 V CA -0.325 62.096 62.300 0.202 0.000 0.830 59 V CB 1.121 33.020 31.823 0.127 0.000 1.012 59 V HN 0.725 nan 8.190 nan 0.000 0.452 60 L N 4.115 125.428 121.223 0.150 0.000 2.477 60 L HA 0.234 4.601 4.340 0.045 0.000 0.272 60 L C 0.621 177.463 176.870 -0.046 0.000 1.157 60 L CA -0.084 54.684 54.840 -0.119 0.000 0.889 60 L CB 0.615 42.295 42.059 -0.631 0.000 1.158 60 L HN 0.763 nan 8.230 nan 0.000 0.473 61 D N 4.712 125.070 120.400 -0.070 0.000 2.346 61 D HA 0.179 4.846 4.640 0.045 0.000 0.267 61 D C 0.120 176.368 176.300 -0.088 0.000 1.320 61 D CA 0.259 54.223 54.000 -0.059 0.000 0.951 61 D CB 0.827 41.583 40.800 -0.073 0.000 1.079 61 D HN 0.567 nan 8.370 nan 0.000 0.509 62 A N 3.464 126.261 122.820 -0.039 0.000 3.213 62 A HA 0.283 4.629 4.320 0.045 0.000 0.308 62 A C 1.039 178.535 177.584 -0.146 0.000 1.177 62 A CA -0.330 51.675 52.037 -0.054 0.000 1.010 62 A CB -0.151 18.914 19.000 0.108 0.000 1.092 62 A HN 0.604 nan 8.150 nan 0.000 0.583 63 T N -3.888 110.555 114.554 -0.184 0.000 2.985 63 T HA 0.274 4.651 4.350 0.045 0.000 0.254 63 T C 0.663 175.195 174.700 -0.281 0.000 1.021 63 T CA 0.690 62.652 62.100 -0.230 0.000 0.957 63 T CB 0.266 69.036 68.868 -0.163 0.000 1.047 63 T HN 0.412 nan 8.240 nan 0.000 0.511 64 T N 0.703 115.096 114.554 -0.268 0.000 2.906 64 T HA 0.610 4.987 4.350 0.045 0.000 0.295 64 T C -1.334 173.201 174.700 -0.274 0.000 1.061 64 T CA -0.885 61.049 62.100 -0.276 0.000 1.000 64 T CB 0.635 69.409 68.868 -0.156 0.000 1.103 64 T HN 0.072 nan 8.240 nan 0.000 0.486 65 F N 3.225 123.100 119.950 -0.125 0.000 2.607 65 F HA 0.255 4.808 4.527 0.045 0.000 0.374 65 F C 1.436 177.130 175.800 -0.177 0.000 1.104 65 F CA 0.072 57.999 58.000 -0.121 0.000 1.296 65 F CB 0.453 39.414 39.000 -0.065 0.000 1.085 65 F HN 0.440 nan 8.300 nan 0.000 0.584 66 Q N 1.864 121.663 119.800 -0.002 0.000 2.308 66 Q HA 0.158 4.525 4.340 0.045 0.000 0.207 66 Q C -0.006 175.934 176.000 -0.100 0.000 1.035 66 Q CA -0.517 55.133 55.803 -0.254 0.000 1.008 66 Q CB 0.492 28.756 28.738 -0.790 0.000 1.168 66 Q HN 0.525 nan 8.270 nan 0.000 0.565 67 N N -0.432 118.190 118.700 -0.129 0.000 2.374 67 N HA 0.005 4.772 4.740 0.045 0.000 0.241 67 N C -0.575 174.928 175.510 -0.013 0.000 1.262 67 N CA 0.099 53.118 53.050 -0.051 0.000 0.880 67 N CB 0.382 38.852 38.487 -0.028 0.000 1.105 67 N HN 0.176 nan 8.380 nan 0.000 0.438 68 V N 1.639 121.513 119.914 -0.066 0.000 2.546 68 V HA 0.063 4.210 4.120 0.045 0.000 0.284 68 V C 0.705 176.750 176.094 -0.082 0.000 1.050 68 V CA -0.807 61.435 62.300 -0.097 0.000 0.981 68 V CB 0.879 32.600 31.823 -0.170 0.000 0.990 68 V HN 0.707 nan 8.190 nan 0.000 0.474 69 c N 4.477 123.044 118.600 -0.054 0.000 2.634 69 c HA 0.052 4.649 4.570 0.045 0.000 0.417 69 c C 0.517 174.550 174.090 -0.095 0.000 1.334 69 c CA -0.454 55.846 56.329 -0.049 0.000 1.829 69 c CB -0.998 41.512 42.510 -0.000 0.000 2.665 69 c HN 0.753 nan 8.230 nan 0.000 0.614 70 Y N 3.907 124.043 120.300 -0.274 0.000 2.620 70 Y HA 0.297 4.873 4.550 0.045 0.000 0.330 70 Y C 0.690 176.575 175.900 -0.024 0.000 1.186 70 Y CA 1.005 58.928 58.100 -0.295 0.000 1.467 70 Y CB 0.186 38.217 38.460 -0.716 0.000 1.262 70 Y HN 0.752 nan 8.280 nan 0.000 0.550 71 Q N 4.462 124.172 119.800 -0.150 0.000 2.578 71 Q HA 0.184 4.550 4.340 0.045 0.000 0.284 71 Q C -1.805 174.250 176.000 0.091 0.000 0.960 71 Q CA -1.169 54.719 55.803 0.141 0.000 0.809 71 Q CB 1.036 29.819 28.738 0.074 0.000 1.462 71 Q HN 0.718 nan 8.270 nan 0.000 0.392 72 Y N 1.449 121.855 120.300 0.177 0.000 2.810 72 Y HA 0.231 4.808 4.550 0.044 0.000 0.332 72 Y C -0.880 175.058 175.900 0.064 0.000 1.243 72 Y CA 0.302 58.477 58.100 0.125 0.000 1.537 72 Y CB 0.715 39.266 38.460 0.152 0.000 1.265 72 Y HN 0.440 nan 8.280 nan 0.000 0.572 73 V N 6.849 126.317 119.914 -0.744 0.000 2.398 73 V HA 0.098 4.245 4.120 0.045 0.000 0.286 73 V C -0.327 175.172 176.094 -0.992 0.000 1.026 73 V CA -0.932 61.003 62.300 -0.609 0.000 0.868 73 V CB 1.443 33.053 31.823 -0.354 0.000 0.982 73 V HN 0.739 nan 8.190 nan 0.000 0.443 74 D N 3.606 123.705 120.400 -0.501 0.000 2.348 74 D HA 0.208 4.875 4.640 0.045 0.000 0.253 74 D C 0.806 177.063 176.300 -0.071 0.000 1.161 74 D CA 0.128 54.002 54.000 -0.210 0.000 0.876 74 D CB 1.432 42.322 40.800 0.149 0.000 1.160 74 D HN 0.723 nan 8.370 nan 0.000 0.459 75 T N 1.484 116.029 114.554 -0.015 0.000 3.337 75 T HA 0.067 4.444 4.350 0.045 0.000 0.299 75 T C 1.426 176.145 174.700 0.031 0.000 0.998 75 T CA -0.485 61.622 62.100 0.011 0.000 0.948 75 T CB -0.119 68.731 68.868 -0.029 0.000 1.170 75 T HN 0.219 nan 8.240 nan 0.000 0.508 76 L N 0.781 122.033 121.223 0.047 0.000 2.017 76 L HA 0.232 4.598 4.340 0.045 0.000 0.208 76 L C -0.213 176.424 176.870 -0.388 0.000 1.073 76 L CA 1.595 56.315 54.840 -0.200 0.000 0.745 76 L CB -0.333 41.543 42.059 -0.303 0.000 0.894 76 L HN 0.442 nan 8.230 nan 0.000 0.432 77 Y N -0.064 120.310 120.300 0.123 0.000 2.863 77 Y HA 0.421 4.998 4.550 0.045 0.000 0.348 77 Y C -2.185 173.777 175.900 0.103 0.000 1.028 77 Y CA -3.614 54.523 58.100 0.062 0.000 1.213 77 Y CB -0.207 38.242 38.460 -0.018 0.000 1.120 77 Y HN 0.068 nan 8.280 nan 0.000 0.598 78 P HA 0.087 nan 4.420 nan 0.000 0.264 78 P C 0.890 178.256 177.300 0.110 0.000 1.193 78 P CA 0.936 64.099 63.100 0.105 0.000 0.763 78 P CB 0.751 32.483 31.700 0.054 0.000 0.810 79 G N 2.313 111.160 108.800 0.078 0.000 2.273 79 G HA2 -0.268 3.719 3.960 0.045 0.000 0.280 79 G HA3 -0.268 3.719 3.960 0.045 0.000 0.280 79 G C -0.360 174.587 174.900 0.079 0.000 1.047 79 G CA -0.300 44.825 45.100 0.042 0.000 0.869 79 G HN 0.537 nan 8.290 nan 0.000 0.502 80 F N 0.329 120.238 119.950 -0.070 0.000 2.411 80 F HA 0.665 5.219 4.527 0.044 0.000 0.352 80 F C 1.088 176.777 175.800 -0.186 0.000 1.123 80 F CA -1.411 56.494 58.000 -0.159 0.000 1.044 80 F CB 1.636 40.517 39.000 -0.198 0.000 1.135 80 F HN 0.068 nan 8.300 nan 0.000 0.461 81 E N 3.884 123.682 120.200 -0.669 0.000 2.147 81 E HA -0.130 4.246 4.350 0.045 0.000 0.199 81 E C 2.138 178.234 176.600 -0.840 0.000 1.005 81 E CA 2.176 58.196 56.400 -0.633 0.000 0.810 81 E CB -0.504 28.900 29.700 -0.493 0.000 0.736 81 E HN 0.927 nan 8.360 nan 0.000 0.460 82 G N -1.044 106.686 108.800 -1.784 0.000 2.422 82 G HA2 -0.286 3.701 3.960 0.045 0.000 0.218 82 G HA3 -0.286 3.701 3.960 0.045 0.000 0.218 82 G C 1.708 176.536 174.900 -0.120 0.000 1.146 82 G CA 1.731 45.998 45.100 -1.389 0.000 0.769 82 G HN 0.499 nan 8.290 nan 0.000 0.547 83 T N -1.468 113.035 114.554 -0.084 0.000 2.953 83 T HA 0.099 4.476 4.350 0.045 0.000 0.247 83 T C 1.967 176.844 174.700 0.295 0.000 1.029 83 T CA 0.985 63.407 62.100 0.537 0.000 1.144 83 T CB -0.092 69.174 68.868 0.663 0.000 0.870 83 T HN 0.150 nan 8.240 nan 0.000 0.446 84 E N 2.371 122.595 120.200 0.040 0.000 2.118 84 E HA -0.133 4.244 4.350 0.045 0.000 0.195 84 E C 2.259 178.779 176.600 -0.134 0.000 0.992 84 E CA 1.500 57.879 56.400 -0.036 0.000 0.804 84 E CB -0.561 29.084 29.700 -0.092 0.000 0.741 84 E HN 0.801 nan 8.360 nan 0.000 0.458 85 M N -2.298 117.138 119.600 -0.274 0.000 2.530 85 M HA -0.095 4.412 4.480 0.045 0.000 0.261 85 M C 1.213 177.105 176.300 -0.679 0.000 1.067 85 M CA 1.455 56.439 55.300 -0.527 0.000 1.071 85 M CB -0.499 31.692 32.600 -0.682 0.000 1.405 85 M HN 0.012 nan 8.290 nan 0.000 0.478 86 W N 0.362 121.583 121.300 -0.131 0.000 2.993 86 W HA 0.293 4.980 4.660 0.044 0.000 0.290 86 W C 0.490 176.903 176.519 -0.178 0.000 1.203 86 W CA -0.902 56.346 57.345 -0.161 0.000 1.582 86 W CB -0.031 29.390 29.460 -0.064 0.000 1.033 86 W HN 0.075 nan 8.180 nan 0.000 0.594 87 N N 1.790 120.511 118.700 0.035 0.000 2.415 87 N HA 0.075 4.842 4.740 0.045 0.000 0.248 87 N C -2.462 172.965 175.510 -0.140 0.000 1.271 87 N CA -1.122 51.895 53.050 -0.055 0.000 0.913 87 N CB -0.298 38.154 38.487 -0.058 0.000 1.129 87 N HN -0.321 nan 8.380 nan 0.000 0.444 88 P HA 0.044 nan 4.420 nan 0.000 0.264 88 P C 0.234 177.425 177.300 -0.181 0.000 1.193 88 P CA 0.039 63.022 63.100 -0.195 0.000 0.763 88 P CB 0.296 31.875 31.700 -0.202 0.000 0.810 89 N N 2.388 120.968 118.700 -0.200 0.000 2.205 89 N HA 0.055 4.822 4.740 0.045 0.000 0.201 89 N C 0.250 175.681 175.510 -0.132 0.000 1.128 89 N CA 0.222 53.170 53.050 -0.170 0.000 0.867 89 N CB 0.307 38.676 38.487 -0.196 0.000 0.996 89 N HN 0.141 nan 8.380 nan 0.000 0.503 90 R N 0.315 120.732 120.500 -0.138 0.000 2.919 90 R HA 0.339 4.705 4.340 0.045 0.000 0.260 90 R C -0.142 176.096 176.300 -0.104 0.000 1.067 90 R CA -0.695 55.346 56.100 -0.097 0.000 1.003 90 R CB 0.649 30.904 30.300 -0.075 0.000 1.192 90 R HN 0.092 nan 8.270 nan 0.000 0.488 91 E N 1.546 121.696 120.200 -0.082 0.000 2.481 91 E HA 0.001 4.378 4.350 0.045 0.000 0.263 91 E C -0.080 176.462 176.600 -0.097 0.000 0.992 91 E CA 0.277 56.629 56.400 -0.079 0.000 0.938 91 E CB 0.365 30.032 29.700 -0.055 0.000 0.933 91 E HN 0.273 nan 8.360 nan 0.000 0.453 92 L N 2.135 123.283 121.223 -0.126 0.000 2.367 92 L HA 0.180 4.547 4.340 0.045 0.000 0.275 92 L C 0.747 177.616 176.870 -0.001 0.000 1.129 92 L CA 0.090 54.824 54.840 -0.178 0.000 0.839 92 L CB 0.724 42.492 42.059 -0.485 0.000 1.133 92 L HN 0.328 nan 8.230 nan 0.000 0.453 93 S N 1.260 116.975 115.700 0.025 0.000 2.550 93 S HA 0.227 4.723 4.470 0.045 0.000 0.270 93 S C 0.362 174.950 174.600 -0.021 0.000 1.145 93 S CA -0.673 57.561 58.200 0.056 0.000 0.852 93 S CB 1.758 64.966 63.200 0.013 0.000 1.119 93 S HN 0.741 nan 8.310 nan 0.000 0.465 94 E N 0.915 121.039 120.200 -0.127 0.000 2.268 94 E HA -0.080 4.297 4.350 0.045 0.000 0.195 94 E C -0.299 176.224 176.600 -0.128 0.000 0.995 94 E CA 0.633 56.887 56.400 -0.243 0.000 0.836 94 E CB 0.116 29.619 29.700 -0.328 0.000 0.763 94 E HN 0.551 nan 8.360 nan 0.000 0.491 95 D N 0.062 120.429 120.400 -0.056 0.000 2.422 95 D HA 0.008 4.675 4.640 0.045 0.000 0.227 95 D C 0.025 176.407 176.300 0.137 0.000 1.190 95 D CA -0.362 53.640 54.000 0.002 0.000 0.905 95 D CB 0.167 40.988 40.800 0.035 0.000 1.034 95 D HN 0.131 nan 8.370 nan 0.000 0.507 96 c N 2.390 121.031 118.600 0.068 0.000 4.150 96 c HA 0.319 4.916 4.570 0.045 0.000 0.330 96 c C 0.756 174.908 174.090 0.104 0.000 1.905 96 c CA -0.610 55.843 56.329 0.207 0.000 1.724 96 c CB -1.149 41.411 42.510 0.084 0.000 3.096 96 c HN 0.478 nan 8.230 nan 0.000 0.601 97 L N 2.585 123.581 121.223 -0.379 0.000 2.382 97 L HA 0.327 4.694 4.340 0.045 0.000 0.259 97 L C -0.970 175.239 176.870 -1.102 0.000 1.291 97 L CA 0.861 55.259 54.840 -0.736 0.000 1.176 97 L CB -0.820 40.685 42.059 -0.923 0.000 1.373 97 L HN 0.428 nan 8.230 nan 0.000 0.426 98 Y N 1.461 121.763 120.300 0.004 0.000 2.553 98 Y HA 0.587 5.164 4.550 0.045 0.000 0.347 98 Y C -0.117 175.986 175.900 0.338 0.000 1.019 98 Y CA -1.230 56.947 58.100 0.129 0.000 1.032 98 Y CB 1.975 40.450 38.460 0.024 0.000 1.284 98 Y HN 0.171 nan 8.280 nan 0.000 0.466 99 L N -0.006 121.409 121.223 0.321 0.000 2.309 99 L HA 0.793 5.160 4.340 0.045 0.000 0.261 99 L C -1.286 175.583 176.870 -0.003 0.000 1.021 99 L CA -1.110 53.787 54.840 0.095 0.000 0.823 99 L CB 1.824 43.740 42.059 -0.239 0.000 1.366 99 L HN 0.461 nan 8.230 nan 0.000 0.423 100 N N 0.464 119.172 118.700 0.013 0.000 2.296 100 N HA 0.630 5.397 4.740 0.045 0.000 0.294 100 N C -1.458 173.951 175.510 -0.168 0.000 1.033 100 N CA -0.401 52.557 53.050 -0.153 0.000 0.839 100 N CB 2.802 41.213 38.487 -0.126 0.000 1.395 100 N HN 0.501 nan 8.380 nan 0.000 0.479 101 V N 1.934 121.679 119.914 -0.282 0.000 2.448 101 V HA 0.437 4.584 4.120 0.045 0.000 0.295 101 V C -0.478 175.568 176.094 -0.080 0.000 1.025 101 V CA -0.800 61.424 62.300 -0.127 0.000 0.859 101 V CB 1.775 33.315 31.823 -0.471 0.000 0.988 101 V HN 0.530 nan 8.190 nan 0.000 0.431 102 W N 3.044 124.448 121.300 0.173 0.000 2.520 102 W HA 0.657 5.344 4.660 0.045 0.000 0.323 102 W C 0.286 176.930 176.519 0.208 0.000 1.062 102 W CA -0.413 57.042 57.345 0.183 0.000 1.215 102 W CB 2.372 31.913 29.460 0.135 0.000 1.340 102 W HN 0.641 nan 8.180 nan 0.000 0.516 103 T N -0.006 114.822 114.554 0.456 0.000 2.883 103 T HA 0.520 4.897 4.350 0.045 0.000 0.296 103 T C -2.800 172.084 174.700 0.307 0.000 1.117 103 T CA -2.514 59.805 62.100 0.365 0.000 1.006 103 T CB 2.177 71.286 68.868 0.401 0.000 1.191 103 T HN -0.079 nan 8.240 nan 0.000 0.508 104 P HA 0.189 nan 4.420 nan 0.000 0.269 104 P C -1.547 175.899 177.300 0.244 0.000 1.217 104 P CA -0.138 63.085 63.100 0.205 0.000 0.783 104 P CB 0.090 31.879 31.700 0.149 0.000 0.898 105 Y N 2.984 123.343 120.300 0.098 0.000 2.338 105 Y HA 0.419 4.996 4.550 0.045 0.000 0.333 105 Y C -2.234 173.701 175.900 0.060 0.000 0.968 105 Y CA -2.694 55.455 58.100 0.082 0.000 1.123 105 Y CB 1.370 39.865 38.460 0.057 0.000 1.165 105 Y HN 0.336 nan 8.280 nan 0.000 0.452 106 P HA 0.091 nan 4.420 nan 0.000 0.272 106 P C -1.059 176.215 177.300 -0.044 0.000 1.240 106 P CA -0.367 62.605 63.100 -0.213 0.000 0.791 106 P CB 0.898 32.520 31.700 -0.130 0.000 0.978 107 R N 1.386 121.854 120.500 -0.053 0.000 2.679 107 R HA 0.237 4.604 4.340 0.045 0.000 0.268 107 R C -2.159 174.169 176.300 0.046 0.000 1.044 107 R CA -1.174 54.958 56.100 0.054 0.000 1.105 107 R CB -1.340 29.003 30.300 0.073 0.000 0.989 107 R HN 0.280 nan 8.270 nan 0.000 0.447 108 P HA -0.122 nan 4.420 nan 0.000 0.261 108 P C -0.088 177.231 177.300 0.032 0.000 1.165 108 P CA 0.797 63.931 63.100 0.057 0.000 0.759 108 P CB 0.727 32.470 31.700 0.071 0.000 0.772 109 A N 3.098 125.931 122.820 0.023 0.000 1.933 109 A HA -0.041 4.306 4.320 0.045 0.000 0.218 109 A C 0.982 178.571 177.584 0.008 0.000 1.175 109 A CA 1.809 53.853 52.037 0.011 0.000 0.628 109 A CB -0.589 18.417 19.000 0.010 0.000 0.814 109 A HN 0.626 nan 8.150 nan 0.000 0.444 110 S N -1.966 113.742 115.700 0.013 0.000 2.570 110 S HA 0.604 5.101 4.470 0.045 0.000 0.286 110 S C -3.251 171.358 174.600 0.015 0.000 1.099 110 S CA -1.886 56.319 58.200 0.008 0.000 0.913 110 S CB 1.376 64.578 63.200 0.003 0.000 1.085 110 S HN -0.054 nan 8.310 nan 0.000 0.480 111 P HA 0.028 nan 4.420 nan 0.000 0.249 111 P C -0.529 176.781 177.300 0.017 0.000 1.140 111 P CA 0.838 63.947 63.100 0.014 0.000 0.803 111 P CB -0.411 31.288 31.700 -0.002 0.000 0.745 112 T N 6.305 120.882 114.554 0.039 0.000 2.799 112 T HA 0.345 4.722 4.350 0.045 0.000 0.286 112 T C -2.247 172.479 174.700 0.042 0.000 0.973 112 T CA -1.774 60.351 62.100 0.041 0.000 1.035 112 T CB 0.563 69.469 68.868 0.065 0.000 0.932 112 T HN 0.091 nan 8.240 nan 0.000 0.469 113 P HA 0.044 nan 4.420 nan 0.000 0.264 113 P C -0.955 176.378 177.300 0.056 0.000 1.179 113 P CA -0.034 63.076 63.100 0.016 0.000 0.763 113 P CB 0.394 32.085 31.700 -0.013 0.000 0.806 114 V N 5.070 125.033 119.914 0.082 0.000 2.435 114 V HA 0.306 4.452 4.120 0.045 0.000 0.290 114 V C 0.242 176.417 176.094 0.134 0.000 1.030 114 V CA -0.447 61.929 62.300 0.127 0.000 0.881 114 V CB 1.340 33.257 31.823 0.157 0.000 0.983 114 V HN 0.312 nan 8.190 nan 0.000 0.445 115 L N 5.905 127.219 121.223 0.152 0.000 2.280 115 L HA 0.556 4.923 4.340 0.045 0.000 0.287 115 L C -0.396 176.729 176.870 0.424 0.000 1.023 115 L CA 0.122 55.064 54.840 0.170 0.000 0.819 115 L CB 1.355 43.354 42.059 -0.100 0.000 1.212 115 L HN 0.486 nan 8.230 nan 0.000 0.420 116 I N 3.218 124.064 120.570 0.461 0.000 2.330 116 I HA 0.186 4.383 4.170 0.045 0.000 0.289 116 I C -0.641 175.800 176.117 0.540 0.000 1.001 116 I CA -0.439 61.117 61.300 0.426 0.000 1.193 116 I CB 0.973 39.089 38.000 0.194 0.000 1.345 116 I HN 0.649 nan 8.210 nan 0.000 0.461 117 W N 8.709 130.164 121.300 0.258 0.000 2.351 117 W HA 0.540 5.226 4.660 0.044 0.000 0.311 117 W C -1.510 174.912 176.519 -0.163 0.000 1.168 117 W CA -0.657 56.562 57.345 -0.209 0.000 1.200 117 W CB 1.145 30.503 29.460 -0.170 0.000 1.221 117 W HN 0.362 nan 8.180 nan 0.000 0.519 118 I N 9.462 129.336 120.570 -1.160 0.000 2.405 118 I HA 0.062 4.259 4.170 0.045 0.000 0.280 118 I C -0.124 175.113 176.117 -1.467 0.000 1.027 118 I CA -1.086 59.596 61.300 -1.031 0.000 1.161 118 I CB 0.404 37.976 38.000 -0.712 0.000 1.300 118 I HN 0.311 nan 8.210 nan 0.000 0.463 119 Y N 4.517 124.242 120.300 -0.957 0.000 2.459 119 Y HA 0.575 5.151 4.550 0.044 0.000 0.349 119 Y C 0.837 176.537 175.900 -0.332 0.000 1.266 119 Y CA -0.647 57.068 58.100 -0.642 0.000 1.483 119 Y CB -0.151 38.221 38.460 -0.146 0.000 1.362 119 Y HN 0.494 nan 8.280 nan 0.000 0.628 120 G N -1.243 107.579 108.800 0.037 0.000 2.671 120 G HA2 0.504 4.491 3.960 0.045 0.000 0.275 120 G HA3 0.504 4.491 3.960 0.045 0.000 0.275 120 G C 0.273 175.104 174.900 -0.115 0.000 1.368 120 G CA -0.950 44.076 45.100 -0.122 0.000 1.044 120 G HN 1.701 nan 8.290 nan 0.000 0.543 121 G N -2.826 105.705 108.800 -0.448 0.000 2.207 121 G HA2 0.405 4.392 3.960 0.045 0.000 0.193 121 G HA3 0.405 4.392 3.960 0.045 0.000 0.193 121 G C 1.036 175.201 174.900 -1.226 0.000 1.050 121 G CA 0.747 45.409 45.100 -0.729 0.000 0.780 121 G HN 2.330 nan 8.290 nan 0.000 0.504 122 G N -0.437 107.690 108.800 -1.121 0.000 2.203 122 G HA2 -0.131 3.856 3.960 0.045 0.000 0.263 122 G HA3 -0.131 3.856 3.960 0.045 0.000 0.263 122 G C 0.916 175.416 174.900 -0.667 0.000 1.012 122 G CA 0.739 44.845 45.100 -1.656 0.000 0.749 122 G HN 1.714 nan 8.290 nan 0.000 0.512 123 F N -3.345 116.394 119.950 -0.351 0.000 2.890 123 F HA -0.341 4.213 4.527 0.045 0.000 0.346 123 F C 1.569 177.463 175.800 0.156 0.000 0.660 123 F CA 2.270 60.250 58.000 -0.033 0.000 1.091 123 F CB -2.026 36.850 39.000 -0.207 0.000 1.535 123 F HN 0.870 nan 8.300 nan 0.000 0.314 124 Y N -0.912 119.484 120.300 0.161 0.000 2.444 124 Y HA 0.634 5.211 4.550 0.044 0.000 0.249 124 Y C 0.706 176.707 175.900 0.169 0.000 1.134 124 Y CA 0.253 58.498 58.100 0.242 0.000 1.261 124 Y CB -0.059 38.540 38.460 0.231 0.000 1.143 124 Y HN 0.095 nan 8.280 nan 0.000 0.523 125 S N -1.089 114.336 115.700 -0.459 0.000 2.727 125 S HA 0.882 5.378 4.470 0.045 0.000 0.278 125 S C -0.204 174.195 174.600 -0.335 0.000 1.186 125 S CA -0.445 57.553 58.200 -0.337 0.000 0.836 125 S CB 1.503 64.453 63.200 -0.416 0.000 1.186 125 S HN 1.312 nan 8.310 nan 0.000 0.499 126 G N -0.626 107.949 108.800 -0.375 0.000 2.371 126 G HA2 0.583 4.570 3.960 0.045 0.000 0.663 126 G HA3 0.583 4.570 3.960 0.045 0.000 0.663 126 G C -0.726 173.521 174.900 -1.088 0.000 1.311 126 G CA -0.224 44.478 45.100 -0.664 0.000 0.985 126 G HN 2.417 nan 8.290 nan 0.000 0.566 127 A N -1.760 120.091 122.820 -1.615 0.000 2.590 127 A HA 0.889 5.236 4.320 0.045 0.000 0.309 127 A C 0.449 177.813 177.584 -0.366 0.000 1.039 127 A CA 0.883 52.402 52.037 -0.864 0.000 0.824 127 A CB 0.510 19.253 19.000 -0.427 0.000 1.247 127 A HN 2.608 nan 8.150 nan 0.000 0.394 128 A N 1.022 123.902 122.820 0.100 0.000 2.239 128 A HA 0.261 4.608 4.320 0.045 0.000 0.209 128 A C 1.749 179.392 177.584 0.098 0.000 1.171 128 A CA 1.947 54.242 52.037 0.430 0.000 0.768 128 A CB -0.537 18.779 19.000 0.526 0.000 0.790 128 A HN 1.957 nan 8.150 nan 0.000 0.478 129 S N -0.729 114.743 115.700 -0.379 0.000 2.535 129 S HA 0.314 4.811 4.470 0.045 0.000 0.214 129 S C 0.519 174.631 174.600 -0.814 0.000 0.980 129 S CA -0.471 56.956 58.200 -1.289 0.000 0.907 129 S CB -0.531 61.881 63.200 -1.313 0.000 0.790 129 S HN 0.375 nan 8.310 nan 0.000 0.510 130 L N 2.458 123.377 121.223 -0.507 0.000 2.506 130 L HA 0.094 4.460 4.340 0.045 0.000 0.281 130 L C 1.150 177.664 176.870 -0.594 0.000 1.228 130 L CA -0.339 54.137 54.840 -0.607 0.000 0.850 130 L CB 0.163 41.682 42.059 -0.900 0.000 1.110 130 L HN 0.091 nan 8.230 nan 0.000 0.496 131 D N 1.144 121.247 120.400 -0.494 0.000 2.149 131 D HA -0.146 4.521 4.640 0.045 0.000 0.198 131 D C 1.986 177.999 176.300 -0.480 0.000 0.990 131 D CA 1.328 55.111 54.000 -0.362 0.000 0.839 131 D CB -0.048 40.581 40.800 -0.285 0.000 0.948 131 D HN 0.543 nan 8.370 nan 0.000 0.460 132 V N -1.422 118.033 119.914 -0.766 0.000 2.913 132 V HA -0.162 3.985 4.120 0.045 0.000 0.260 132 V C 1.103 176.558 176.094 -1.064 0.000 1.098 132 V CA 1.057 62.861 62.300 -0.828 0.000 1.121 132 V CB -1.112 30.150 31.823 -0.935 0.000 0.714 132 V HN 0.075 nan 8.190 nan 0.000 0.487 133 Y N 0.275 119.942 120.300 -1.054 0.000 2.571 133 Y HA 0.441 5.018 4.550 0.044 0.000 0.275 133 Y C 0.849 176.112 175.900 -1.061 0.000 1.179 133 Y CA -1.924 55.156 58.100 -1.700 0.000 1.242 133 Y CB -0.873 37.014 38.460 -0.956 0.000 1.126 133 Y HN 0.251 nan 8.280 nan 0.000 0.524 134 D N 0.825 120.918 120.400 -0.511 0.000 2.412 134 D HA 0.043 4.710 4.640 0.045 0.000 0.257 134 D C 1.339 177.351 176.300 -0.479 0.000 1.217 134 D CA 0.470 54.270 54.000 -0.333 0.000 0.897 134 D CB 1.297 42.064 40.800 -0.055 0.000 1.132 134 D HN 0.462 nan 8.370 nan 0.000 0.493 135 G N 3.828 111.680 108.800 -1.581 0.000 2.985 135 G HA2 -0.128 3.858 3.960 0.045 0.000 0.209 135 G HA3 -0.128 3.858 3.960 0.045 0.000 0.209 135 G C 1.461 175.789 174.900 -0.954 0.000 1.165 135 G CA 0.078 44.441 45.100 -1.229 0.000 0.776 135 G HN 0.606 nan 8.290 nan 0.000 0.541 136 R N -0.748 119.151 120.500 -1.002 0.000 2.115 136 R HA 0.062 4.429 4.340 0.045 0.000 0.230 136 R C 1.644 177.691 176.300 -0.423 0.000 1.111 136 R CA 0.972 56.739 56.100 -0.555 0.000 0.976 136 R CB -0.614 29.375 30.300 -0.517 0.000 0.870 136 R HN 0.283 nan 8.270 nan 0.000 0.445 137 F N 1.633 121.498 119.950 -0.141 0.000 2.113 137 F HA 0.016 4.570 4.527 0.046 0.000 0.297 137 F C 2.306 178.052 175.800 -0.090 0.000 1.103 137 F CA 0.901 58.842 58.000 -0.098 0.000 1.248 137 F CB -0.604 38.326 39.000 -0.116 0.000 0.999 137 F HN -0.134 nan 8.300 nan 0.000 0.475 138 L N -0.121 121.139 121.223 0.061 0.000 2.042 138 L HA -0.235 4.132 4.340 0.045 0.000 0.210 138 L C 2.758 179.639 176.870 0.017 0.000 1.076 138 L CA 1.185 56.016 54.840 -0.015 0.000 0.749 138 L CB -0.995 40.996 42.059 -0.114 0.000 0.893 138 L HN 0.194 nan 8.230 nan 0.000 0.432 139 A N -0.865 121.971 122.820 0.026 0.000 1.865 139 A HA -0.281 4.066 4.320 0.045 0.000 0.217 139 A C 2.287 179.922 177.584 0.083 0.000 1.191 139 A CA 1.910 54.007 52.037 0.100 0.000 0.623 139 A CB -0.583 18.529 19.000 0.186 0.000 0.826 139 A HN 0.418 nan 8.150 nan 0.000 0.444 140 Q N -0.282 119.547 119.800 0.047 0.000 2.020 140 Q HA -0.071 4.296 4.340 0.045 0.000 0.198 140 Q C 2.265 178.297 176.000 0.054 0.000 0.974 140 Q CA 2.047 57.880 55.803 0.051 0.000 0.829 140 Q CB -0.382 28.366 28.738 0.016 0.000 0.894 140 Q HN 0.413 nan 8.270 nan 0.000 0.433 141 V N 1.449 121.395 119.914 0.053 0.000 2.323 141 V HA -0.137 4.010 4.120 0.045 0.000 0.244 141 V C 1.827 177.940 176.094 0.031 0.000 1.041 141 V CA 1.678 64.004 62.300 0.043 0.000 1.025 141 V CB -0.288 31.561 31.823 0.043 0.000 0.656 141 V HN 0.246 nan 8.190 nan 0.000 0.451 142 E N -0.111 120.106 120.200 0.028 0.000 2.474 142 E HA 0.180 4.556 4.350 0.045 0.000 0.195 142 E C 1.808 178.428 176.600 0.034 0.000 1.039 142 E CA 0.705 57.117 56.400 0.020 0.000 0.881 142 E CB 0.222 29.925 29.700 0.005 0.000 0.970 142 E HN 0.611 nan 8.360 nan 0.000 0.486 143 G N 1.715 110.546 108.800 0.052 0.000 2.187 143 G HA2 -0.345 3.642 3.960 0.045 0.000 0.261 143 G HA3 -0.345 3.642 3.960 0.045 0.000 0.261 143 G C 0.584 175.531 174.900 0.078 0.000 1.000 143 G CA 0.474 45.616 45.100 0.070 0.000 0.718 143 G HN 0.500 nan 8.290 nan 0.000 0.519 144 A N -0.712 122.150 122.820 0.070 0.000 2.462 144 A HA 0.603 4.950 4.320 0.045 0.000 0.243 144 A C 0.656 178.321 177.584 0.135 0.000 1.076 144 A CA 0.287 52.370 52.037 0.077 0.000 0.773 144 A CB 0.901 19.925 19.000 0.039 0.000 1.010 144 A HN 1.102 nan 8.150 nan 0.000 0.493 145 V N 3.547 123.550 119.914 0.149 0.000 2.406 145 V HA 0.313 4.460 4.120 0.045 0.000 0.272 145 V C 0.063 176.293 176.094 0.227 0.000 1.043 145 V CA 0.004 62.426 62.300 0.204 0.000 0.915 145 V CB 0.717 32.650 31.823 0.184 0.000 0.988 145 V HN 0.725 nan 8.190 nan 0.000 0.466 146 L N 6.529 127.947 121.223 0.324 0.000 2.322 146 L HA 0.761 5.128 4.340 0.045 0.000 0.281 146 L C -0.814 176.366 176.870 0.516 0.000 1.014 146 L CA -0.246 54.834 54.840 0.400 0.000 0.815 146 L CB 1.856 44.135 42.059 0.367 0.000 1.247 146 L HN 0.437 nan 8.230 nan 0.000 0.421 147 V N 3.010 123.205 119.914 0.469 0.000 2.656 147 V HA 0.715 4.862 4.120 0.045 0.000 0.307 147 V C -0.521 175.857 176.094 0.474 0.000 1.051 147 V CA -0.458 62.074 62.300 0.388 0.000 0.893 147 V CB 1.979 33.945 31.823 0.237 0.000 0.999 147 V HN 0.855 nan 8.190 nan 0.000 0.426 148 S N 4.843 120.822 115.700 0.463 0.000 2.541 148 S HA 0.888 5.385 4.470 0.045 0.000 0.280 148 S C -0.837 173.938 174.600 0.292 0.000 1.112 148 S CA -0.857 57.622 58.200 0.464 0.000 0.925 148 S CB 2.288 65.918 63.200 0.717 0.000 1.067 148 S HN 0.858 nan 8.310 nan 0.000 0.479 149 M N 1.103 120.825 119.600 0.203 0.000 2.602 149 M HA 0.641 5.148 4.480 0.045 0.000 0.312 149 M C -1.532 175.006 176.300 0.397 0.000 1.181 149 M CA -0.663 54.747 55.300 0.184 0.000 0.910 149 M CB 0.907 33.419 32.600 -0.146 0.000 1.723 149 M HN 0.519 nan 8.290 nan 0.000 0.459 150 N N 2.623 121.624 118.700 0.502 0.000 2.530 150 N HA 0.501 5.267 4.740 0.045 0.000 0.273 150 N C -1.309 174.517 175.510 0.526 0.000 1.173 150 N CA 0.157 53.530 53.050 0.538 0.000 0.967 150 N CB 0.383 39.096 38.487 0.377 0.000 1.109 150 N HN 0.718 nan 8.380 nan 0.000 0.453 151 Y N -1.630 118.853 120.300 0.305 0.000 2.545 151 Y HA 0.578 5.154 4.550 0.044 0.000 0.348 151 Y C -0.009 176.036 175.900 0.242 0.000 1.002 151 Y CA -1.363 56.871 58.100 0.223 0.000 1.039 151 Y CB 0.903 39.423 38.460 0.101 0.000 1.271 151 Y HN 0.201 nan 8.280 nan 0.000 0.467 152 R N 1.845 122.471 120.500 0.210 0.000 2.537 152 R HA 0.491 4.858 4.340 0.045 0.000 0.280 152 R C -0.278 176.134 176.300 0.186 0.000 1.058 152 R CA -0.253 55.923 56.100 0.126 0.000 1.057 152 R CB 0.862 31.218 30.300 0.093 0.000 0.973 152 R HN 0.728 nan 8.270 nan 0.000 0.438 153 V N -0.010 120.062 119.914 0.264 0.000 3.204 153 V HA 0.875 5.022 4.120 0.045 0.000 0.316 153 V C 0.804 177.230 176.094 0.552 0.000 1.160 153 V CA -0.157 62.418 62.300 0.459 0.000 1.044 153 V CB 1.097 33.087 31.823 0.279 0.000 1.136 153 V HN 0.965 nan 8.190 nan 0.000 0.455 154 G N 1.532 110.722 108.800 0.652 0.000 2.578 154 G HA2 -0.290 3.697 3.960 0.045 0.000 0.275 154 G HA3 -0.290 3.697 3.960 0.045 0.000 0.275 154 G C 0.989 176.092 174.900 0.340 0.000 1.271 154 G CA 1.487 46.927 45.100 0.567 0.000 0.941 154 G HN 2.325 nan 8.290 nan 0.000 0.564 155 T N -1.693 112.780 114.554 -0.135 0.000 2.737 155 T HA -0.163 4.214 4.350 0.045 0.000 0.269 155 T C 2.102 176.705 174.700 -0.162 0.000 1.040 155 T CA 2.678 64.433 62.100 -0.575 0.000 1.142 155 T CB -0.434 67.940 68.868 -0.824 0.000 0.861 155 T HN 0.600 nan 8.240 nan 0.000 0.456 156 F N 2.129 122.175 119.950 0.159 0.000 2.171 156 F HA 0.228 4.782 4.527 0.044 0.000 0.300 156 F C 2.802 178.617 175.800 0.025 0.000 1.090 156 F CA 0.800 58.835 58.000 0.058 0.000 1.293 156 F CB -0.950 38.040 39.000 -0.017 0.000 1.013 156 F HN 0.363 nan 8.300 nan 0.000 0.486 157 G N -1.849 107.021 108.800 0.116 0.000 2.595 157 G HA2 0.002 3.989 3.960 0.045 0.000 0.213 157 G HA3 0.002 3.989 3.960 0.045 0.000 0.213 157 G C 0.874 175.270 174.900 -0.840 0.000 1.141 157 G CA 0.260 45.117 45.100 -0.405 0.000 0.806 157 G HN 0.354 nan 8.290 nan 0.000 0.530 158 F N -0.734 119.352 119.950 0.226 0.000 2.915 158 F HA 0.424 4.978 4.527 0.045 0.000 0.347 158 F C 0.403 176.344 175.800 0.234 0.000 1.104 158 F CA -0.988 57.128 58.000 0.194 0.000 1.126 158 F CB 0.341 39.452 39.000 0.185 0.000 1.145 158 F HN -0.104 nan 8.300 nan 0.000 0.541 159 L N 2.405 123.725 121.223 0.161 0.000 2.597 159 L HA 0.468 4.835 4.340 0.045 0.000 0.271 159 L C 0.160 177.015 176.870 -0.025 0.000 1.157 159 L CA 0.045 54.852 54.840 -0.054 0.000 0.928 159 L CB 0.032 41.704 42.059 -0.645 0.000 1.216 159 L HN 0.149 nan 8.230 nan 0.000 0.481 160 A N 6.127 129.004 122.820 0.094 0.000 2.331 160 A HA 0.686 5.032 4.320 0.045 0.000 0.320 160 A C -0.908 176.673 177.584 -0.005 0.000 1.138 160 A CA -0.608 51.451 52.037 0.037 0.000 0.790 160 A CB 1.030 20.077 19.000 0.080 0.000 1.206 160 A HN 0.665 nan 8.150 nan 0.000 0.470 161 L N 4.177 125.375 121.223 -0.041 0.000 2.360 161 L HA 0.322 4.688 4.340 0.045 0.000 0.265 161 L C -2.369 174.498 176.870 -0.005 0.000 1.066 161 L CA -1.336 53.487 54.840 -0.029 0.000 0.929 161 L CB 1.040 43.068 42.059 -0.052 0.000 1.306 161 L HN 0.402 nan 8.230 nan 0.000 0.434 162 P HA 0.046 nan 4.420 nan 0.000 0.261 162 P C 1.038 178.345 177.300 0.012 0.000 1.173 162 P CA 0.938 64.047 63.100 0.015 0.000 0.760 162 P CB 0.741 32.448 31.700 0.012 0.000 0.783 163 G N 1.813 110.625 108.800 0.020 0.000 2.199 163 G HA2 -0.249 3.737 3.960 0.045 0.000 0.254 163 G HA3 -0.249 3.737 3.960 0.045 0.000 0.254 163 G C 0.368 175.278 174.900 0.017 0.000 0.982 163 G CA 0.302 45.413 45.100 0.018 0.000 0.632 163 G HN 0.806 nan 8.290 nan 0.000 0.529 164 S N -0.682 115.027 115.700 0.015 0.000 2.601 164 S HA 0.631 5.128 4.470 0.045 0.000 0.271 164 S C 1.133 175.749 174.600 0.027 0.000 1.305 164 S CA 0.296 58.505 58.200 0.015 0.000 1.022 164 S CB 1.988 65.191 63.200 0.005 0.000 0.940 164 S HN 0.391 nan 8.310 nan 0.000 0.525 165 R N 0.675 121.193 120.500 0.029 0.000 2.115 165 R HA -0.011 4.356 4.340 0.045 0.000 0.226 165 R C 1.743 178.072 176.300 0.049 0.000 1.100 165 R CA 1.369 57.492 56.100 0.038 0.000 0.980 165 R CB -0.030 30.290 30.300 0.034 0.000 0.875 165 R HN 0.875 nan 8.270 nan 0.000 0.445 166 E N -0.924 119.306 120.200 0.049 0.000 2.474 166 E HA 0.076 4.453 4.350 0.045 0.000 0.194 166 E C -0.241 176.423 176.600 0.108 0.000 1.041 166 E CA 0.305 56.750 56.400 0.076 0.000 0.874 166 E CB 1.043 30.788 29.700 0.075 0.000 0.914 166 E HN 0.170 nan 8.360 nan 0.000 0.498 167 A N 2.451 125.309 122.820 0.063 0.000 3.277 167 A HA 0.302 4.649 4.320 0.045 0.000 0.281 167 A C -2.289 175.313 177.584 0.030 0.000 1.179 167 A CA -0.827 51.239 52.037 0.048 0.000 0.879 167 A CB 0.823 19.759 19.000 -0.107 0.000 1.374 167 A HN -0.080 nan 8.150 nan 0.000 0.590 168 P HA 0.184 nan 4.420 nan 0.000 0.241 168 P C 0.909 178.244 177.300 0.059 0.000 1.191 168 P CA 1.595 64.728 63.100 0.054 0.000 0.771 168 P CB 0.141 31.881 31.700 0.068 0.000 0.929 169 G N 1.248 110.083 108.800 0.059 0.000 2.781 169 G HA2 -0.214 3.773 3.960 0.045 0.000 0.683 169 G HA3 -0.214 3.773 3.960 0.045 0.000 0.683 169 G C -0.039 174.891 174.900 0.050 0.000 1.390 169 G CA -0.285 44.857 45.100 0.070 0.000 0.850 169 G HN 0.163 nan 8.290 nan 0.000 0.557 170 N N -2.456 116.280 118.700 0.061 0.000 2.753 170 N HA -0.281 4.486 4.740 0.045 0.000 0.251 170 N C 1.845 177.263 175.510 -0.153 0.000 1.097 170 N CA 2.425 55.459 53.050 -0.028 0.000 0.786 170 N CB -1.704 36.677 38.487 -0.177 0.000 1.137 170 N HN 1.928 nan 8.380 nan 0.000 0.566 171 V N -2.546 117.262 119.914 -0.176 0.000 2.427 171 V HA 0.002 4.148 4.120 0.045 0.000 0.248 171 V C 2.344 178.340 176.094 -0.164 0.000 1.051 171 V CA 2.308 64.545 62.300 -0.106 0.000 1.048 171 V CB -0.974 30.831 31.823 -0.030 0.000 0.666 171 V HN 0.264 nan 8.190 nan 0.000 0.456 172 G N 0.481 108.971 108.800 -0.517 0.000 2.450 172 G HA2 -0.191 3.795 3.960 0.045 0.000 0.220 172 G HA3 -0.191 3.795 3.960 0.045 0.000 0.220 172 G C 1.572 176.522 174.900 0.082 0.000 1.130 172 G CA 1.341 46.304 45.100 -0.229 0.000 0.760 172 G HN 0.554 nan 8.290 nan 0.000 0.557 173 L N -0.340 120.882 121.223 -0.002 0.000 2.156 173 L HA 0.125 4.492 4.340 0.045 0.000 0.208 173 L C 2.805 179.747 176.870 0.119 0.000 1.095 173 L CA 0.231 55.018 54.840 -0.087 0.000 0.770 173 L CB -0.244 41.390 42.059 -0.708 0.000 0.914 173 L HN 0.181 nan 8.230 nan 0.000 0.439 174 L N -0.568 120.728 121.223 0.122 0.000 2.093 174 L HA -0.195 4.172 4.340 0.045 0.000 0.208 174 L C 2.173 179.200 176.870 0.262 0.000 1.085 174 L CA 0.848 55.852 54.840 0.274 0.000 0.755 174 L CB -0.587 41.604 42.059 0.220 0.000 0.904 174 L HN 0.252 nan 8.230 nan 0.000 0.435 175 D N 0.027 120.569 120.400 0.236 0.000 2.116 175 D HA -0.230 4.437 4.640 0.045 0.000 0.193 175 D C 2.268 178.759 176.300 0.318 0.000 0.998 175 D CA 1.293 55.516 54.000 0.371 0.000 0.836 175 D CB -0.199 40.822 40.800 0.369 0.000 0.951 175 D HN 0.382 nan 8.370 nan 0.000 0.449 176 Q N -0.020 119.884 119.800 0.173 0.000 2.050 176 Q HA -0.149 4.218 4.340 0.045 0.000 0.202 176 Q C 2.314 178.296 176.000 -0.029 0.000 0.980 176 Q CA 1.231 57.033 55.803 -0.002 0.000 0.840 176 Q CB -0.087 28.663 28.738 0.019 0.000 0.898 176 Q HN 0.206 nan 8.270 nan 0.000 0.424 177 R N 0.526 121.140 120.500 0.190 0.000 2.091 177 R HA -0.197 4.169 4.340 0.045 0.000 0.238 177 R C 2.205 178.569 176.300 0.107 0.000 1.136 177 R CA 1.219 57.411 56.100 0.155 0.000 0.959 177 R CB -0.306 30.209 30.300 0.358 0.000 0.856 177 R HN 0.226 nan 8.270 nan 0.000 0.437 178 L N 0.848 122.179 121.223 0.181 0.000 2.042 178 L HA -0.079 4.288 4.340 0.045 0.000 0.210 178 L C 2.317 179.244 176.870 0.095 0.000 1.076 178 L CA 2.157 57.138 54.840 0.235 0.000 0.749 178 L CB -0.757 41.545 42.059 0.406 0.000 0.893 178 L HN 0.303 nan 8.230 nan 0.000 0.432 179 A N -0.945 121.684 122.820 -0.319 0.000 1.902 179 A HA -0.171 4.176 4.320 0.045 0.000 0.217 179 A C 2.134 179.648 177.584 -0.117 0.000 1.181 179 A CA 1.822 53.470 52.037 -0.648 0.000 0.623 179 A CB -0.814 17.569 19.000 -1.030 0.000 0.818 179 A HN 0.407 nan 8.150 nan 0.000 0.443 180 L N -0.471 120.694 121.223 -0.097 0.000 2.012 180 L HA -0.240 4.127 4.340 0.045 0.000 0.210 180 L C 2.680 179.603 176.870 0.088 0.000 1.073 180 L CA 2.271 57.105 54.840 -0.010 0.000 0.748 180 L CB -1.054 40.948 42.059 -0.095 0.000 0.891 180 L HN 0.466 nan 8.230 nan 0.000 0.431 181 Q N -2.177 117.686 119.800 0.105 0.000 2.096 181 Q HA -0.278 4.089 4.340 0.045 0.000 0.204 181 Q C 2.118 178.214 176.000 0.159 0.000 0.982 181 Q CA 2.147 58.024 55.803 0.123 0.000 0.850 181 Q CB -0.393 28.427 28.738 0.137 0.000 0.901 181 Q HN 0.587 nan 8.270 nan 0.000 0.422 182 W N -0.278 121.044 121.300 0.037 0.000 2.335 182 W HA -0.244 4.443 4.660 0.045 0.000 0.311 182 W C 1.835 178.393 176.519 0.065 0.000 1.213 182 W CA 1.423 58.811 57.345 0.072 0.000 1.274 182 W CB -0.295 29.210 29.460 0.076 0.000 1.148 182 W HN -0.107 nan 8.180 nan 0.000 0.498 183 V N 0.684 120.853 119.914 0.426 0.000 2.252 183 V HA -0.386 3.761 4.120 0.045 0.000 0.249 183 V C 2.410 178.534 176.094 0.050 0.000 1.056 183 V CA 2.405 64.864 62.300 0.266 0.000 1.022 183 V CB -1.195 30.780 31.823 0.254 0.000 0.641 183 V HN 0.200 nan 8.190 nan 0.000 0.445 184 Q N 0.186 120.021 119.800 0.058 0.000 2.112 184 Q HA -0.237 4.129 4.340 0.045 0.000 0.206 184 Q C 2.105 178.076 176.000 -0.048 0.000 0.987 184 Q CA 2.112 57.931 55.803 0.027 0.000 0.858 184 Q CB -0.339 28.423 28.738 0.041 0.000 0.905 184 Q HN 0.745 nan 8.270 nan 0.000 0.420 185 E N -1.198 118.931 120.200 -0.120 0.000 2.371 185 E HA 0.008 4.385 4.350 0.045 0.000 0.194 185 E C 0.876 177.300 176.600 -0.292 0.000 1.012 185 E CA 0.502 56.793 56.400 -0.183 0.000 0.860 185 E CB 0.287 29.879 29.700 -0.179 0.000 0.811 185 E HN 0.320 nan 8.360 nan 0.000 0.502 186 N N -0.537 117.908 118.700 -0.426 0.000 2.218 186 N HA 0.028 4.795 4.740 0.045 0.000 0.224 186 N C 1.283 176.680 175.510 -0.188 0.000 1.248 186 N CA 0.008 52.738 53.050 -0.534 0.000 0.875 186 N CB 0.430 38.079 38.487 -1.398 0.000 1.165 186 N HN 0.019 nan 8.380 nan 0.000 0.485 187 I N 2.607 123.135 120.570 -0.070 0.000 2.361 187 I HA -0.088 4.109 4.170 0.045 0.000 0.251 187 I C 2.205 178.430 176.117 0.180 0.000 1.133 187 I CA 0.692 62.099 61.300 0.178 0.000 1.413 187 I CB -0.342 37.746 38.000 0.146 0.000 1.073 187 I HN 0.086 nan 8.210 nan 0.000 0.424 188 A N 0.320 123.170 122.820 0.049 0.000 1.948 188 A HA -0.228 4.118 4.320 0.045 0.000 0.220 188 A C 2.514 180.089 177.584 -0.015 0.000 1.177 188 A CA 1.959 54.005 52.037 0.016 0.000 0.636 188 A CB -1.205 17.780 19.000 -0.025 0.000 0.815 188 A HN 0.482 nan 8.150 nan 0.000 0.449 189 A N -1.418 121.353 122.820 -0.082 0.000 1.978 189 A HA -0.001 4.345 4.320 0.045 0.000 0.220 189 A C 1.700 179.073 177.584 -0.351 0.000 1.170 189 A CA 1.412 53.298 52.037 -0.253 0.000 0.636 189 A CB -0.678 18.080 19.000 -0.402 0.000 0.810 189 A HN 0.517 nan 8.150 nan 0.000 0.448 190 F N -1.080 118.808 119.950 -0.104 0.000 2.797 190 F HA 0.349 4.903 4.527 0.045 0.000 0.302 190 F C 1.892 177.688 175.800 -0.006 0.000 1.130 190 F CA 0.679 58.625 58.000 -0.090 0.000 1.387 190 F CB 0.146 39.098 39.000 -0.080 0.000 1.107 190 F HN 0.366 nan 8.300 nan 0.000 0.577 191 G N -0.009 108.869 108.800 0.131 0.000 2.175 191 G HA2 -0.215 3.772 3.960 0.045 0.000 0.244 191 G HA3 -0.215 3.772 3.960 0.045 0.000 0.244 191 G C 0.775 175.742 174.900 0.112 0.000 0.982 191 G CA -0.270 44.888 45.100 0.098 0.000 0.641 191 G HN 0.713 nan 8.290 nan 0.000 0.527 192 G N -0.109 108.785 108.800 0.157 0.000 2.491 192 G HA2 0.409 4.396 3.960 0.045 0.000 0.242 192 G HA3 0.409 4.396 3.960 0.045 0.000 0.242 192 G C -0.455 174.496 174.900 0.085 0.000 1.266 192 G CA 0.503 45.682 45.100 0.132 0.000 0.844 192 G HN 0.236 nan 8.290 nan 0.000 0.571 193 D N 2.212 122.650 120.400 0.064 0.000 2.396 193 D HA 0.248 4.915 4.640 0.045 0.000 0.225 193 D C -1.117 175.213 176.300 0.051 0.000 1.121 193 D CA -2.338 51.681 54.000 0.032 0.000 0.853 193 D CB 1.852 42.650 40.800 -0.004 0.000 1.043 193 D HN 0.076 nan 8.370 nan 0.000 0.500 194 P HA -0.063 nan 4.420 nan 0.000 0.226 194 P C 1.272 178.676 177.300 0.174 0.000 1.153 194 P CA 0.508 63.674 63.100 0.110 0.000 0.777 194 P CB 0.265 32.006 31.700 0.069 0.000 0.794 195 M N -0.994 118.624 119.600 0.030 0.000 2.618 195 M HA 0.066 4.573 4.480 0.045 0.000 0.240 195 M C 0.513 176.415 176.300 -0.664 0.000 1.123 195 M CA 0.498 55.709 55.300 -0.148 0.000 1.060 195 M CB 0.098 32.625 32.600 -0.121 0.000 1.535 195 M HN -0.206 nan 8.290 nan 0.000 0.507 196 S N 0.489 116.000 115.700 -0.315 0.000 2.383 196 S HA 0.461 4.958 4.470 0.045 0.000 0.196 196 S C -1.167 173.485 174.600 0.085 0.000 1.364 196 S CA -0.618 57.414 58.200 -0.279 0.000 1.212 196 S CB 0.539 63.636 63.200 -0.173 0.000 1.171 196 S HN -0.051 nan 8.310 nan 0.000 0.456 197 V N 4.343 124.533 119.914 0.460 0.000 2.407 197 V HA 0.516 4.663 4.120 0.045 0.000 0.291 197 V C -0.070 176.235 176.094 0.352 0.000 1.018 197 V CA -0.502 62.015 62.300 0.363 0.000 0.842 197 V CB 1.932 33.965 31.823 0.349 0.000 0.996 197 V HN 0.761 nan 8.190 nan 0.000 0.426 198 T N 6.612 121.308 114.554 0.237 0.000 2.758 198 T HA 0.565 4.941 4.350 0.045 0.000 0.285 198 T C -0.106 174.762 174.700 0.280 0.000 0.981 198 T CA -0.316 61.931 62.100 0.245 0.000 0.965 198 T CB 0.739 69.693 68.868 0.143 0.000 0.927 198 T HN 0.335 nan 8.240 nan 0.000 0.448 199 L N 5.042 126.422 121.223 0.261 0.000 2.380 199 L HA 0.585 4.952 4.340 0.045 0.000 0.273 199 L C -0.292 176.822 176.870 0.406 0.000 1.138 199 L CA -0.623 54.329 54.840 0.186 0.000 0.832 199 L CB 0.196 42.145 42.059 -0.183 0.000 1.124 199 L HN 0.618 nan 8.230 nan 0.000 0.454 200 F N 0.512 120.543 119.950 0.136 0.000 2.613 200 F HA 0.964 5.518 4.527 0.044 0.000 0.310 200 F C -0.261 175.538 175.800 -0.003 0.000 1.085 200 F CA -1.741 56.381 58.000 0.202 0.000 0.945 200 F CB 1.532 40.802 39.000 0.450 0.000 1.298 200 F HN 0.450 nan 8.300 nan 0.000 0.455 201 G N 0.678 109.367 108.800 -0.184 0.000 2.601 201 G HA2 0.490 4.476 3.960 0.045 0.000 0.291 201 G HA3 0.490 4.476 3.960 0.045 0.000 0.291 201 G C -2.550 172.135 174.900 -0.359 0.000 1.456 201 G CA -0.792 43.772 45.100 -0.893 0.000 0.804 201 G HN 0.880 nan 8.290 nan 0.000 0.499 202 E N 0.492 120.438 120.200 -0.424 0.000 2.248 202 E HA 0.625 5.002 4.350 0.045 0.000 0.267 202 E C 0.514 177.068 176.600 -0.076 0.000 0.877 202 E CA 0.328 56.729 56.400 0.000 0.000 0.759 202 E CB 2.064 31.938 29.700 0.290 0.000 1.182 202 E HN 1.022 nan 8.360 nan 0.000 0.418 203 S N 3.181 118.902 115.700 0.036 0.000 4.069 203 S HA -0.379 4.117 4.470 0.045 0.000 0.626 203 S C 1.471 176.145 174.600 0.123 0.000 2.000 203 S CA 1.975 60.257 58.200 0.137 0.000 4.174 203 S CB -1.662 61.556 63.200 0.030 0.000 0.210 203 S HN 1.046 nan 8.310 nan 0.000 0.602 204 A N 1.101 123.831 122.820 -0.150 0.000 1.986 204 A HA 0.084 4.431 4.320 0.045 0.000 0.220 204 A C 2.586 179.845 177.584 -0.541 0.000 1.171 204 A CA 2.750 54.483 52.037 -0.507 0.000 0.640 204 A CB -1.713 16.645 19.000 -1.070 0.000 0.811 204 A HN 1.750 nan 8.150 nan 0.000 0.451 205 G N -0.657 107.902 108.800 -0.401 0.000 2.418 205 G HA2 -0.006 3.980 3.960 0.045 0.000 0.217 205 G HA3 -0.006 3.980 3.960 0.045 0.000 0.217 205 G C 1.735 176.441 174.900 -0.324 0.000 1.158 205 G CA 1.451 46.264 45.100 -0.479 0.000 0.771 205 G HN 0.814 nan 8.290 nan 0.000 0.545 206 A N 1.196 123.916 122.820 -0.167 0.000 1.873 206 A HA 0.319 4.666 4.320 0.045 0.000 0.215 206 A C 2.843 180.419 177.584 -0.012 0.000 1.186 206 A CA 2.166 54.176 52.037 -0.045 0.000 0.616 206 A CB -0.872 18.168 19.000 0.067 0.000 0.823 206 A HN 0.804 nan 8.150 nan 0.000 0.442 207 A N -0.295 122.557 122.820 0.052 0.000 1.908 207 A HA -0.132 4.215 4.320 0.045 0.000 0.218 207 A C 2.449 180.059 177.584 0.043 0.000 1.181 207 A CA 2.273 54.336 52.037 0.044 0.000 0.627 207 A CB -0.969 18.108 19.000 0.128 0.000 0.818 207 A HN 0.466 nan 8.150 nan 0.000 0.445 208 S N -0.494 115.220 115.700 0.023 0.000 2.359 208 S HA -0.152 4.345 4.470 0.045 0.000 0.224 208 S C 1.917 176.477 174.600 -0.068 0.000 1.035 208 S CA 1.477 59.647 58.200 -0.051 0.000 1.018 208 S CB -0.622 62.459 63.200 -0.198 0.000 0.876 208 S HN 0.359 nan 8.310 nan 0.000 0.448 209 V N 1.854 121.732 119.914 -0.059 0.000 2.287 209 V HA -0.205 3.942 4.120 0.045 0.000 0.248 209 V C 2.682 178.766 176.094 -0.016 0.000 1.053 209 V CA 2.026 64.302 62.300 -0.041 0.000 1.027 209 V CB -1.667 30.112 31.823 -0.073 0.000 0.646 209 V HN 0.599 nan 8.190 nan 0.000 0.447 210 G N -0.042 108.747 108.800 -0.019 0.000 2.513 210 G HA2 -0.321 3.666 3.960 0.045 0.000 0.219 210 G HA3 -0.321 3.666 3.960 0.045 0.000 0.219 210 G C 1.508 176.419 174.900 0.018 0.000 1.160 210 G CA 1.530 46.623 45.100 -0.012 0.000 0.767 210 G HN 0.378 nan 8.290 nan 0.000 0.571 211 M N 0.278 119.865 119.600 -0.022 0.000 2.080 211 M HA -0.080 4.427 4.480 0.045 0.000 0.260 211 M C 2.270 178.636 176.300 0.109 0.000 1.068 211 M CA 1.244 56.559 55.300 0.025 0.000 1.109 211 M CB -1.559 30.976 32.600 -0.108 0.000 1.342 211 M HN 0.299 nan 8.290 nan 0.000 0.405 212 H N 0.033 119.214 119.070 0.185 0.000 2.387 212 H HA 0.020 4.603 4.556 0.045 0.000 0.299 212 H C 2.312 177.826 175.328 0.310 0.000 1.090 212 H CA 1.367 57.509 56.048 0.156 0.000 1.332 212 H CB -0.452 29.207 29.762 -0.172 0.000 1.386 212 H HN 0.384 nan 8.280 nan 0.000 0.516 213 I N 0.664 121.472 120.570 0.395 0.000 2.286 213 I HA -0.246 3.951 4.170 0.045 0.000 0.248 213 I C 2.082 178.405 176.117 0.344 0.000 1.115 213 I CA 1.067 62.643 61.300 0.460 0.000 1.392 213 I CB -0.098 38.045 38.000 0.238 0.000 1.065 213 I HN 0.113 nan 8.210 nan 0.000 0.418 214 L N -1.009 120.358 121.223 0.240 0.000 2.558 214 L HA 0.093 4.460 4.340 0.045 0.000 0.225 214 L C 0.932 177.872 176.870 0.117 0.000 1.128 214 L CA 0.044 55.007 54.840 0.205 0.000 0.868 214 L CB -0.012 42.139 42.059 0.153 0.000 1.006 214 L HN 0.041 nan 8.230 nan 0.000 0.454 215 S N -0.237 115.500 115.700 0.063 0.000 2.456 215 S HA 0.234 4.731 4.470 0.045 0.000 0.316 215 S C 0.598 175.140 174.600 -0.098 0.000 1.089 215 S CA -0.633 57.474 58.200 -0.156 0.000 1.101 215 S CB 1.563 64.342 63.200 -0.703 0.000 0.995 215 S HN 0.123 nan 8.310 nan 0.000 0.468 216 L N 7.839 129.004 121.223 -0.096 0.000 1.989 216 L HA 0.138 4.505 4.340 0.045 0.000 0.211 216 L C -1.115 175.721 176.870 -0.057 0.000 1.071 216 L CA 2.113 56.919 54.840 -0.057 0.000 0.749 216 L CB -1.294 40.731 42.059 -0.057 0.000 0.890 216 L HN 0.484 nan 8.230 nan 0.000 0.431 217 P HA -0.132 nan 4.420 nan 0.000 0.217 217 P C 1.719 179.021 177.300 0.003 0.000 1.148 217 P CA 1.670 64.736 63.100 -0.056 0.000 0.828 217 P CB -0.036 31.611 31.700 -0.089 0.000 0.783 218 S N -1.170 114.554 115.700 0.040 0.000 2.436 218 S HA -0.032 4.465 4.470 0.045 0.000 0.228 218 S C 1.799 176.584 174.600 0.309 0.000 1.014 218 S CA 0.598 58.942 58.200 0.240 0.000 0.950 218 S CB -0.416 63.060 63.200 0.461 0.000 0.784 218 S HN 0.078 nan 8.310 nan 0.000 0.504 219 R N 2.017 122.588 120.500 0.118 0.000 2.159 219 R HA -0.001 4.366 4.340 0.045 0.000 0.237 219 R C 2.137 178.256 176.300 -0.302 0.000 1.131 219 R CA 1.287 57.289 56.100 -0.163 0.000 0.982 219 R CB -1.230 29.003 30.300 -0.111 0.000 0.868 219 R HN 0.572 nan 8.270 nan 0.000 0.453 220 S N -0.217 115.402 115.700 -0.135 0.000 2.593 220 S HA 0.121 4.618 4.470 0.045 0.000 0.217 220 S C 1.556 176.078 174.600 -0.130 0.000 0.966 220 S CA 0.049 58.164 58.200 -0.142 0.000 0.914 220 S CB -0.083 63.078 63.200 -0.065 0.000 0.776 220 S HN 0.215 nan 8.310 nan 0.000 0.523 221 L N 0.406 121.596 121.223 -0.054 0.000 2.766 221 L HA 0.529 4.896 4.340 0.045 0.000 0.242 221 L C -0.166 176.775 176.870 0.119 0.000 1.136 221 L CA -0.439 54.432 54.840 0.051 0.000 0.933 221 L CB -0.069 42.062 42.059 0.119 0.000 1.241 221 L HN 0.465 nan 8.230 nan 0.000 0.522 222 F N -3.637 116.122 119.950 -0.319 0.000 2.741 222 F HA 0.462 5.016 4.527 0.045 0.000 0.311 222 F C 0.165 175.627 175.800 -0.564 0.000 1.149 222 F CA -1.036 56.762 58.000 -0.337 0.000 0.930 222 F CB 0.788 39.737 39.000 -0.085 0.000 1.312 222 F HN -0.115 nan 8.300 nan 0.000 0.450 223 H N -0.507 118.546 119.070 -0.030 0.000 3.255 223 H HA 0.443 5.026 4.556 0.045 0.000 0.256 223 H C -0.146 175.164 175.328 -0.030 0.000 1.049 223 H CA -0.111 55.859 56.048 -0.131 0.000 1.202 223 H CB 1.124 30.839 29.762 -0.078 0.000 1.497 223 H HN 0.437 nan 8.280 nan 0.000 0.503 224 R N 0.388 121.053 120.500 0.276 0.000 2.774 224 R HA 0.708 5.075 4.340 0.045 0.000 0.272 224 R C -1.432 175.155 176.300 0.478 0.000 1.000 224 R CA -0.634 55.614 56.100 0.245 0.000 0.906 224 R CB 2.947 33.185 30.300 -0.103 0.000 1.227 224 R HN 0.141 nan 8.270 nan 0.000 0.468 225 A N 1.338 124.462 122.820 0.507 0.000 2.475 225 A HA 0.721 5.068 4.320 0.045 0.000 0.301 225 A C -1.440 176.339 177.584 0.324 0.000 1.059 225 A CA -0.611 51.663 52.037 0.395 0.000 0.710 225 A CB 1.931 21.122 19.000 0.318 0.000 1.288 225 A HN 0.321 nan 8.150 nan 0.000 0.408 226 V N 2.101 122.160 119.914 0.241 0.000 2.525 226 V HA 0.472 4.618 4.120 0.045 0.000 0.299 226 V C -1.246 174.966 176.094 0.197 0.000 1.034 226 V CA -0.262 62.114 62.300 0.127 0.000 0.863 226 V CB 1.313 33.241 31.823 0.174 0.000 0.999 226 V HN 0.687 nan 8.190 nan 0.000 0.423 227 L N 5.192 126.493 121.223 0.129 0.000 2.324 227 L HA 0.516 4.883 4.340 0.045 0.000 0.274 227 L C 0.048 177.027 176.870 0.182 0.000 1.012 227 L CA 0.036 54.944 54.840 0.114 0.000 0.859 227 L CB 1.479 43.559 42.059 0.033 0.000 1.224 227 L HN 0.630 nan 8.230 nan 0.000 0.429 228 Q N 1.927 121.896 119.800 0.281 0.000 2.331 228 Q HA 0.443 4.810 4.340 0.045 0.000 0.257 228 Q C 0.248 176.390 176.000 0.238 0.000 0.957 228 Q CA -0.497 55.533 55.803 0.379 0.000 0.923 228 Q CB 1.170 30.227 28.738 0.531 0.000 1.212 228 Q HN 0.602 nan 8.270 nan 0.000 0.443 229 S N 0.987 116.811 115.700 0.207 0.000 3.682 229 S HA -0.151 4.346 4.470 0.045 0.000 0.354 229 S C 0.031 174.832 174.600 0.336 0.000 1.034 229 S CA 0.519 58.863 58.200 0.241 0.000 1.084 229 S CB -1.248 62.059 63.200 0.178 0.000 0.903 229 S HN 1.026 nan 8.310 nan 0.000 0.470 230 G N -0.525 108.439 108.800 0.274 0.000 2.442 230 G HA2 0.639 4.625 3.960 0.045 0.000 0.296 230 G HA3 0.639 4.625 3.960 0.045 0.000 0.296 230 G C -0.955 174.037 174.900 0.153 0.000 1.564 230 G CA 0.239 45.576 45.100 0.394 0.000 0.828 230 G HN 1.081 nan 8.290 nan 0.000 0.571 231 T N -1.363 113.211 114.554 0.034 0.000 2.885 231 T HA 0.704 5.081 4.350 0.045 0.000 0.322 231 T C -2.582 171.975 174.700 -0.240 0.000 1.387 231 T CA -1.191 60.847 62.100 -0.104 0.000 1.041 231 T CB 2.853 71.640 68.868 -0.135 0.000 1.287 231 T HN 0.282 nan 8.240 nan 0.000 0.491 232 P HA 0.014 nan 4.420 nan 0.000 0.222 232 P C 0.323 177.464 177.300 -0.265 0.000 1.153 232 P CA 0.615 63.594 63.100 -0.202 0.000 0.798 232 P CB -0.049 31.589 31.700 -0.102 0.000 0.796 233 N N 0.511 119.070 118.700 -0.235 0.000 2.379 233 N HA 0.316 5.082 4.740 0.045 0.000 0.260 233 N C 0.742 176.042 175.510 -0.350 0.000 1.254 233 N CA 0.492 53.405 53.050 -0.228 0.000 0.958 233 N CB 0.178 38.577 38.487 -0.148 0.000 1.208 233 N HN 0.179 nan 8.380 nan 0.000 0.532 234 G N -0.846 107.770 108.800 -0.307 0.000 2.592 234 G HA2 -0.129 3.858 3.960 0.045 0.000 0.684 234 G HA3 -0.129 3.858 3.960 0.045 0.000 0.684 234 G C -2.299 172.336 174.900 -0.442 0.000 1.291 234 G CA -0.219 44.649 45.100 -0.388 0.000 0.891 234 G HN 0.525 nan 8.290 nan 0.000 0.544 235 P HA 0.115 nan 4.420 nan 0.000 0.231 235 P C 1.500 178.681 177.300 -0.198 0.000 1.168 235 P CA 2.037 64.959 63.100 -0.296 0.000 0.779 235 P CB -0.045 31.430 31.700 -0.375 0.000 0.844 236 W N -1.645 119.537 121.300 -0.197 0.000 2.940 236 W HA 0.587 5.273 4.660 0.044 0.000 0.297 236 W C 1.066 177.642 176.519 0.095 0.000 1.149 236 W CA 0.417 57.719 57.345 -0.071 0.000 1.564 236 W CB -0.829 28.606 29.460 -0.041 0.000 1.010 236 W HN -0.165 nan 8.180 nan 0.000 0.578 237 A N 1.891 124.345 122.820 -0.610 0.000 2.067 237 A HA 0.111 4.458 4.320 0.045 0.000 0.217 237 A C 1.168 178.575 177.584 -0.295 0.000 1.156 237 A CA 1.839 53.589 52.037 -0.479 0.000 0.683 237 A CB -0.767 17.732 19.000 -0.835 0.000 0.808 237 A HN 0.229 nan 8.150 nan 0.000 0.455 238 T N -3.064 111.332 114.554 -0.262 0.000 2.896 238 T HA 0.613 4.989 4.350 0.045 0.000 0.297 238 T C -0.633 173.975 174.700 -0.153 0.000 1.108 238 T CA -0.126 61.836 62.100 -0.230 0.000 1.004 238 T CB 1.479 70.224 68.868 -0.205 0.000 1.159 238 T HN 0.789 nan 8.240 nan 0.000 0.499 239 V N -0.697 119.138 119.914 -0.132 0.000 3.074 239 V HA 0.902 5.049 4.120 0.045 0.000 0.314 239 V C 0.514 176.559 176.094 -0.081 0.000 1.117 239 V CA -0.871 61.369 62.300 -0.101 0.000 1.014 239 V CB 1.251 33.014 31.823 -0.101 0.000 1.057 239 V HN 1.349 nan 8.190 nan 0.000 0.438 240 S N 1.482 117.142 115.700 -0.068 0.000 2.596 240 S HA 0.548 5.045 4.470 0.045 0.000 0.260 240 S C 1.366 175.943 174.600 -0.039 0.000 1.336 240 S CA 0.132 58.302 58.200 -0.050 0.000 0.993 240 S CB 1.059 64.231 63.200 -0.046 0.000 0.923 240 S HN 1.820 nan 8.310 nan 0.000 0.567 241 A N 1.750 124.555 122.820 -0.025 0.000 1.858 241 A HA 0.132 4.479 4.320 0.045 0.000 0.216 241 A C 2.299 179.872 177.584 -0.019 0.000 1.190 241 A CA 1.723 53.752 52.037 -0.014 0.000 0.617 241 A CB -1.963 17.033 19.000 -0.006 0.000 0.827 241 A HN 1.214 nan 8.150 nan 0.000 0.443 242 G N -0.466 108.320 108.800 -0.023 0.000 2.469 242 G HA2 -0.307 3.680 3.960 0.045 0.000 0.220 242 G HA3 -0.307 3.680 3.960 0.045 0.000 0.220 242 G C 1.479 176.358 174.900 -0.035 0.000 1.136 242 G CA 1.591 46.675 45.100 -0.026 0.000 0.759 242 G HN 0.609 nan 8.290 nan 0.000 0.562 243 E N 0.788 120.960 120.200 -0.046 0.000 2.107 243 E HA 0.159 4.536 4.350 0.045 0.000 0.191 243 E C 2.663 179.220 176.600 -0.072 0.000 0.982 243 E CA 1.297 57.658 56.400 -0.064 0.000 0.809 243 E CB -0.523 29.131 29.700 -0.077 0.000 0.756 243 E HN 0.272 nan 8.360 nan 0.000 0.459 244 A N 1.123 123.911 122.820 -0.052 0.000 1.883 244 A HA -0.223 4.124 4.320 0.045 0.000 0.217 244 A C 2.301 179.887 177.584 0.003 0.000 1.186 244 A CA 1.947 53.969 52.037 -0.026 0.000 0.624 244 A CB -0.723 18.284 19.000 0.012 0.000 0.822 244 A HN 0.296 nan 8.150 nan 0.000 0.444 245 R N -0.512 119.985 120.500 -0.005 0.000 2.096 245 R HA -0.193 4.174 4.340 0.045 0.000 0.240 245 R C 2.475 178.771 176.300 -0.007 0.000 1.139 245 R CA 1.950 58.047 56.100 -0.004 0.000 0.952 245 R CB -0.346 29.947 30.300 -0.011 0.000 0.854 245 R HN 0.533 nan 8.270 nan 0.000 0.436 246 R N 0.428 120.913 120.500 -0.024 0.000 2.073 246 R HA -0.121 4.246 4.340 0.045 0.000 0.234 246 R C 2.192 178.477 176.300 -0.025 0.000 1.134 246 R CA 1.802 57.885 56.100 -0.029 0.000 0.952 246 R CB -0.126 30.148 30.300 -0.043 0.000 0.850 246 R HN 0.301 nan 8.270 nan 0.000 0.433 247 R N -0.190 120.280 120.500 -0.050 0.000 2.092 247 R HA -0.040 4.326 4.340 0.045 0.000 0.231 247 R C 2.325 178.702 176.300 0.129 0.000 1.119 247 R CA 1.227 57.287 56.100 -0.066 0.000 0.970 247 R CB -0.263 29.847 30.300 -0.317 0.000 0.864 247 R HN 0.245 nan 8.270 nan 0.000 0.440 248 A N 0.791 123.713 122.820 0.170 0.000 1.873 248 A HA -0.163 4.184 4.320 0.045 0.000 0.215 248 A C 2.294 179.910 177.584 0.054 0.000 1.186 248 A CA 1.941 54.089 52.037 0.185 0.000 0.616 248 A CB -0.889 18.154 19.000 0.072 0.000 0.823 248 A HN 0.432 nan 8.150 nan 0.000 0.442 249 T N -1.901 112.665 114.554 0.020 0.000 2.995 249 T HA -0.064 4.313 4.350 0.045 0.000 0.269 249 T C 1.700 176.401 174.700 0.002 0.000 1.091 249 T CA 1.462 63.559 62.100 -0.005 0.000 1.128 249 T CB -0.319 68.540 68.868 -0.014 0.000 0.891 249 T HN 0.169 nan 8.240 nan 0.000 0.492 250 L N 0.487 121.723 121.223 0.022 0.000 2.023 250 L HA 0.306 4.673 4.340 0.045 0.000 0.205 250 L C 2.309 179.199 176.870 0.032 0.000 1.073 250 L CA 1.480 56.330 54.840 0.018 0.000 0.745 250 L CB -1.245 40.823 42.059 0.014 0.000 0.900 250 L HN 0.358 nan 8.230 nan 0.000 0.435 251 L N 0.116 121.398 121.223 0.099 0.000 1.990 251 L HA -0.213 4.153 4.340 0.045 0.000 0.213 251 L C 2.537 179.406 176.870 -0.003 0.000 1.072 251 L CA 2.324 57.222 54.840 0.098 0.000 0.755 251 L CB -0.913 41.255 42.059 0.181 0.000 0.889 251 L HN 0.316 nan 8.230 nan 0.000 0.432 252 A N -0.486 122.324 122.820 -0.017 0.000 1.917 252 A HA -0.290 4.057 4.320 0.045 0.000 0.219 252 A C 2.525 180.083 177.584 -0.043 0.000 1.182 252 A CA 2.025 54.038 52.037 -0.040 0.000 0.633 252 A CB -0.795 18.177 19.000 -0.047 0.000 0.819 252 A HN 0.553 nan 8.150 nan 0.000 0.448 253 R N -0.112 120.364 120.500 -0.040 0.000 2.073 253 R HA -0.094 4.273 4.340 0.045 0.000 0.234 253 R C 1.976 178.222 176.300 -0.090 0.000 1.134 253 R CA 1.754 57.825 56.100 -0.048 0.000 0.952 253 R CB -0.547 29.732 30.300 -0.034 0.000 0.850 253 R HN 0.550 nan 8.270 nan 0.000 0.433 254 L N 1.174 122.315 121.223 -0.135 0.000 2.187 254 L HA -0.125 4.242 4.340 0.045 0.000 0.213 254 L C 1.971 178.590 176.870 -0.418 0.000 1.100 254 L CA 1.039 55.685 54.840 -0.324 0.000 0.765 254 L CB -0.141 41.672 42.059 -0.411 0.000 0.904 254 L HN 0.204 nan 8.230 nan 0.000 0.437 255 V N -4.231 115.563 119.914 -0.200 0.000 3.214 255 V HA 0.537 4.684 4.120 0.045 0.000 0.330 255 V C 1.058 177.129 176.094 -0.038 0.000 1.403 255 V CA 0.176 62.422 62.300 -0.089 0.000 1.143 255 V CB -0.106 31.716 31.823 -0.000 0.000 1.098 255 V HN 0.402 nan 8.190 nan 0.000 0.463 256 G N -0.329 108.441 108.800 -0.050 0.000 2.137 256 G HA2 -0.225 3.761 3.960 0.045 0.000 0.237 256 G HA3 -0.225 3.761 3.960 0.045 0.000 0.237 256 G C 0.094 174.986 174.900 -0.014 0.000 1.002 256 G CA 0.061 45.147 45.100 -0.024 0.000 0.702 256 G HN 0.726 nan 8.290 nan 0.000 0.515 266 D N 1.448 121.843 120.400 -0.007 0.000 2.104 266 D HA -0.111 4.556 4.640 0.045 0.000 0.194 266 D C 1.341 177.637 176.300 -0.006 0.000 0.994 266 D CA 1.965 55.958 54.000 -0.012 0.000 0.830 266 D CB -0.030 40.764 40.800 -0.010 0.000 0.959 266 D HN 0.643 nan 8.370 nan 0.000 0.452 267 T N 1.125 115.681 114.554 0.005 0.000 2.635 267 T HA -0.193 4.184 4.350 0.045 0.000 0.267 267 T C 1.852 176.562 174.700 0.016 0.000 1.040 267 T CA 1.633 63.741 62.100 0.015 0.000 1.156 267 T CB -0.324 68.553 68.868 0.016 0.000 0.863 267 T HN 0.310 nan 8.240 nan 0.000 0.430 268 E N 0.441 120.647 120.200 0.010 0.000 2.072 268 E HA 0.001 4.378 4.350 0.045 0.000 0.191 268 E C 2.206 178.811 176.600 0.008 0.000 0.985 268 E CA 0.581 56.987 56.400 0.011 0.000 0.801 268 E CB -0.251 29.453 29.700 0.007 0.000 0.750 268 E HN 0.329 nan 8.360 nan 0.000 0.452 269 L N 0.799 122.020 121.223 -0.003 0.000 1.994 269 L HA -0.207 4.160 4.340 0.045 0.000 0.208 269 L C 2.168 179.030 176.870 -0.015 0.000 1.071 269 L CA 1.408 56.238 54.840 -0.015 0.000 0.745 269 L CB -0.091 41.949 42.059 -0.031 0.000 0.892 269 L HN 0.110 nan 8.230 nan 0.000 0.431 270 I N -0.252 120.310 120.570 -0.014 0.000 2.202 270 I HA -0.272 3.924 4.170 0.045 0.000 0.242 270 I C 2.717 178.893 176.117 0.099 0.000 1.091 270 I CA 1.189 62.498 61.300 0.014 0.000 1.368 270 I CB -0.614 37.399 38.000 0.021 0.000 1.058 270 I HN 0.334 nan 8.210 nan 0.000 0.410 271 A N -0.284 122.576 122.820 0.067 0.000 1.917 271 A HA -0.325 4.022 4.320 0.045 0.000 0.219 271 A C 2.537 180.160 177.584 0.065 0.000 1.182 271 A CA 2.147 54.224 52.037 0.067 0.000 0.633 271 A CB -1.434 17.591 19.000 0.042 0.000 0.819 271 A HN 0.657 nan 8.150 nan 0.000 0.448 272 c N -0.622 118.008 118.600 0.049 0.000 2.446 272 c HA 0.036 4.633 4.570 0.045 0.000 0.277 272 c C 2.578 176.706 174.090 0.063 0.000 1.275 272 c CA 0.998 57.352 56.329 0.042 0.000 1.727 272 c CB -1.584 40.940 42.510 0.023 0.000 2.010 272 c HN 0.582 nan 8.230 nan 0.000 0.486 273 L N 0.523 121.796 121.223 0.084 0.000 2.043 273 L HA -0.168 4.199 4.340 0.045 0.000 0.212 273 L C 3.025 180.020 176.870 0.209 0.000 1.075 273 L CA 1.801 56.728 54.840 0.145 0.000 0.752 273 L CB -0.712 41.430 42.059 0.138 0.000 0.891 273 L HN 0.366 nan 8.230 nan 0.000 0.432 274 R N -0.493 120.137 120.500 0.216 0.000 2.193 274 R HA -0.131 4.235 4.340 0.045 0.000 0.229 274 R C 2.064 178.389 176.300 0.043 0.000 1.110 274 R CA 1.681 57.843 56.100 0.102 0.000 0.988 274 R CB -0.402 29.950 30.300 0.087 0.000 0.871 274 R HN 0.527 nan 8.270 nan 0.000 0.458 275 T N -1.682 112.902 114.554 0.051 0.000 3.148 275 T HA 0.105 4.481 4.350 0.045 0.000 0.253 275 T C 0.765 175.481 174.700 0.026 0.000 1.134 275 T CA -0.007 62.110 62.100 0.029 0.000 1.051 275 T CB 0.158 69.042 68.868 0.027 0.000 0.959 275 T HN -0.130 nan 8.240 nan 0.000 0.525 276 R N 2.439 122.963 120.500 0.040 0.000 2.265 276 R HA 0.406 4.773 4.340 0.045 0.000 0.319 276 R C -2.850 173.465 176.300 0.025 0.000 1.006 276 R CA -2.665 53.459 56.100 0.040 0.000 0.880 276 R CB 0.627 30.963 30.300 0.059 0.000 1.077 276 R HN 0.195 nan 8.270 nan 0.000 0.454 277 P HA -0.137 nan 4.420 nan 0.000 0.263 277 P C 0.487 177.761 177.300 -0.044 0.000 1.168 277 P CA 0.498 63.578 63.100 -0.034 0.000 0.759 277 P CB 0.564 32.255 31.700 -0.016 0.000 0.782 278 A N 3.759 126.467 122.820 -0.186 0.000 1.915 278 A HA -0.316 4.031 4.320 0.045 0.000 0.220 278 A C 2.141 179.661 177.584 -0.107 0.000 1.198 278 A CA 2.222 54.102 52.037 -0.261 0.000 0.647 278 A CB -1.321 16.887 19.000 -1.320 0.000 0.825 278 A HN 0.547 nan 8.150 nan 0.000 0.456 279 Q N -0.168 119.542 119.800 -0.149 0.000 2.226 279 Q HA -0.159 4.208 4.340 0.045 0.000 0.204 279 Q C 1.179 177.270 176.000 0.153 0.000 0.975 279 Q CA 1.919 57.837 55.803 0.191 0.000 0.866 279 Q CB -0.371 28.499 28.738 0.221 0.000 0.915 279 Q HN 0.692 nan 8.270 nan 0.000 0.440 280 D N -0.856 119.602 120.400 0.097 0.000 2.144 280 D HA -0.133 4.533 4.640 0.045 0.000 0.199 280 D C 1.398 177.783 176.300 0.142 0.000 0.984 280 D CA 0.658 54.725 54.000 0.112 0.000 0.834 280 D CB -0.052 40.810 40.800 0.104 0.000 0.955 280 D HN 0.212 nan 8.370 nan 0.000 0.465 281 L N 0.329 121.621 121.223 0.114 0.000 2.005 281 L HA -0.103 4.263 4.340 0.045 0.000 0.207 281 L C 2.507 179.436 176.870 0.099 0.000 1.072 281 L CA 0.997 55.864 54.840 0.044 0.000 0.744 281 L CB -1.013 40.947 42.059 -0.166 0.000 0.895 281 L HN -0.036 nan 8.230 nan 0.000 0.433 282 V N -0.306 119.739 119.914 0.219 0.000 2.469 282 V HA -0.281 3.866 4.120 0.045 0.000 0.251 282 V C 2.163 178.357 176.094 0.167 0.000 1.064 282 V CA 1.532 64.009 62.300 0.294 0.000 1.066 282 V CB -0.686 31.435 31.823 0.497 0.000 0.667 282 V HN 0.385 nan 8.190 nan 0.000 0.461 283 D N -0.733 119.707 120.400 0.066 0.000 2.158 283 D HA -0.160 4.507 4.640 0.045 0.000 0.197 283 D C 1.907 177.918 176.300 -0.481 0.000 0.995 283 D CA 1.420 55.311 54.000 -0.182 0.000 0.846 283 D CB -0.171 40.463 40.800 -0.276 0.000 0.941 283 D HN 0.533 nan 8.370 nan 0.000 0.456 284 H N -0.918 118.096 119.070 -0.094 0.000 2.755 284 H HA 0.173 4.756 4.556 0.045 0.000 0.273 284 H C 1.495 176.839 175.328 0.026 0.000 1.055 284 H CA -0.078 55.853 56.048 -0.196 0.000 1.191 284 H CB 0.687 30.398 29.762 -0.087 0.000 1.536 284 H HN 0.255 nan 8.280 nan 0.000 0.529 285 E N 1.208 121.533 120.200 0.208 0.000 2.035 285 E HA -0.237 4.139 4.350 0.045 0.000 0.204 285 E C 1.904 178.751 176.600 0.412 0.000 1.025 285 E CA 1.506 58.125 56.400 0.365 0.000 0.835 285 E CB -0.116 29.779 29.700 0.324 0.000 0.764 285 E HN 0.521 nan 8.360 nan 0.000 0.457 286 W N 0.910 122.271 121.300 0.102 0.000 2.342 286 W HA -0.224 4.462 4.660 0.044 0.000 0.297 286 W C 1.557 178.199 176.519 0.205 0.000 1.213 286 W CA 1.461 58.860 57.345 0.090 0.000 1.251 286 W CB -0.186 29.293 29.460 0.031 0.000 1.136 286 W HN 0.353 nan 8.180 nan 0.000 0.526 287 H N -0.417 118.704 119.070 0.084 0.000 2.559 287 H HA -0.091 4.492 4.556 0.045 0.000 0.273 287 H C 2.008 177.292 175.328 -0.074 0.000 1.000 287 H CA 0.959 56.992 56.048 -0.025 0.000 1.195 287 H CB 0.090 29.938 29.762 0.143 0.000 1.368 287 H HN 0.153 nan 8.280 nan 0.000 0.592 288 V N -1.252 118.698 119.914 0.059 0.000 3.647 288 V HA 0.145 4.292 4.120 0.045 0.000 0.279 288 V C 0.679 176.679 176.094 -0.157 0.000 1.314 288 V CA -0.017 62.264 62.300 -0.031 0.000 1.125 288 V CB -0.537 31.291 31.823 0.009 0.000 0.907 288 V HN 0.096 nan 8.190 nan 0.000 0.434 289 L N 2.410 123.485 121.223 -0.247 0.000 2.453 289 L HA 0.230 4.597 4.340 0.045 0.000 0.272 289 L C -0.322 176.405 176.870 -0.238 0.000 1.182 289 L CA -1.027 53.640 54.840 -0.289 0.000 0.858 289 L CB 0.644 42.440 42.059 -0.439 0.000 1.120 289 L HN 0.146 nan 8.230 nan 0.000 0.474 290 P HA -0.115 nan 4.420 nan 0.000 0.218 290 P C -0.107 177.110 177.300 -0.138 0.000 1.149 290 P CA 1.215 64.232 63.100 -0.139 0.000 0.817 290 P CB 0.409 32.041 31.700 -0.113 0.000 0.785 291 Q N -1.255 118.449 119.800 -0.160 0.000 2.484 291 Q HA 0.328 4.695 4.340 0.045 0.000 0.285 291 Q C -0.573 175.319 176.000 -0.180 0.000 1.097 291 Q CA -0.756 54.964 55.803 -0.139 0.000 0.802 291 Q CB 1.313 29.994 28.738 -0.097 0.000 1.444 291 Q HN -0.065 nan 8.270 nan 0.000 0.429 292 E N 0.788 120.908 120.200 -0.132 0.000 2.406 292 E HA 0.109 4.486 4.350 0.045 0.000 0.247 292 E C -0.905 175.647 176.600 -0.081 0.000 1.160 292 E CA 0.248 56.582 56.400 -0.110 0.000 0.950 292 E CB 0.181 29.852 29.700 -0.049 0.000 0.993 292 E HN 0.368 nan 8.360 nan 0.000 0.472 293 S N 3.380 119.008 115.700 -0.119 0.000 2.607 293 S HA 0.627 5.124 4.470 0.045 0.000 0.303 293 S C -0.320 174.326 174.600 0.076 0.000 1.086 293 S CA -0.801 57.359 58.200 -0.066 0.000 0.995 293 S CB 0.970 64.070 63.200 -0.167 0.000 1.084 293 S HN 0.543 nan 8.310 nan 0.000 0.507 294 I N -1.325 119.294 120.570 0.082 0.000 2.785 294 I HA 0.688 4.884 4.170 0.045 0.000 0.302 294 I C -0.377 175.754 176.117 0.024 0.000 1.069 294 I CA -1.028 60.362 61.300 0.150 0.000 1.045 294 I CB 0.916 39.043 38.000 0.213 0.000 1.236 294 I HN 0.586 nan 8.210 nan 0.000 0.429 295 F N 1.648 121.428 119.950 -0.283 0.000 3.074 295 F HA -0.205 4.349 4.527 0.044 0.000 0.287 295 F C -0.089 175.124 175.800 -0.977 0.000 0.932 295 F CA 0.797 58.316 58.000 -0.801 0.000 0.995 295 F CB -0.841 37.580 39.000 -0.965 0.000 0.966 295 F HN 0.752 nan 8.300 nan 0.000 0.721 296 R N 0.344 120.360 120.500 -0.807 0.000 2.604 296 R HA 0.716 5.083 4.340 0.045 0.000 0.281 296 R C -1.466 174.415 176.300 -0.697 0.000 1.020 296 R CA -0.416 55.269 56.100 -0.691 0.000 0.899 296 R CB 1.152 31.289 30.300 -0.271 0.000 1.205 296 R HN -0.036 nan 8.270 nan 0.000 0.450 297 F N 0.552 120.624 119.950 0.204 0.000 2.551 297 F HA 0.376 4.930 4.527 0.044 0.000 0.316 297 F C 1.096 176.956 175.800 0.099 0.000 1.089 297 F CA -0.914 57.227 58.000 0.235 0.000 0.915 297 F CB 2.367 41.609 39.000 0.404 0.000 1.186 297 F HN 0.454 nan 8.300 nan 0.000 0.456 298 S N 0.647 116.494 115.700 0.245 0.000 2.387 298 S HA 0.031 4.527 4.470 0.045 0.000 0.226 298 S C -0.059 174.217 174.600 -0.540 0.000 1.026 298 S CA 1.055 59.150 58.200 -0.175 0.000 0.972 298 S CB -0.199 62.953 63.200 -0.078 0.000 0.814 298 S HN 0.367 nan 8.310 nan 0.000 0.477 299 F N 1.582 121.697 119.950 0.276 0.000 2.513 299 F HA 0.519 5.073 4.527 0.045 0.000 0.358 299 F C -0.083 175.837 175.800 0.200 0.000 1.118 299 F CA -1.023 57.127 58.000 0.249 0.000 1.037 299 F CB 1.363 40.537 39.000 0.290 0.000 1.276 299 F HN -0.115 nan 8.300 nan 0.000 0.446 300 V N 0.657 120.592 119.914 0.035 0.000 3.155 300 V HA 0.786 4.933 4.120 0.045 0.000 0.313 300 V C -2.874 172.840 176.094 -0.634 0.000 1.162 300 V CA -3.402 58.566 62.300 -0.554 0.000 1.048 300 V CB 2.126 33.782 31.823 -0.278 0.000 1.092 300 V HN 0.227 nan 8.190 nan 0.000 0.447 301 P HA 0.144 nan 4.420 nan 0.000 0.264 301 P C -0.565 176.580 177.300 -0.258 0.000 1.183 301 P CA 0.502 63.292 63.100 -0.517 0.000 0.763 301 P CB 0.602 31.910 31.700 -0.652 0.000 0.807 302 V N 5.080 124.941 119.914 -0.089 0.000 2.612 302 V HA 0.250 4.397 4.120 0.045 0.000 0.301 302 V C -0.279 175.793 176.094 -0.036 0.000 1.046 302 V CA -0.834 61.434 62.300 -0.053 0.000 0.946 302 V CB 1.957 33.783 31.823 0.005 0.000 1.003 302 V HN 0.132 nan 8.190 nan 0.000 0.459 303 V N 7.172 127.065 119.914 -0.036 0.000 2.364 303 V HA 0.189 4.336 4.120 0.045 0.000 0.252 303 V C 0.718 176.819 176.094 0.011 0.000 1.075 303 V CA 0.371 62.665 62.300 -0.010 0.000 1.033 303 V CB 0.338 32.146 31.823 -0.025 0.000 1.116 303 V HN 1.076 nan 8.190 nan 0.000 0.488 304 D N 2.867 123.291 120.400 0.040 0.000 2.349 304 D HA 0.113 4.780 4.640 0.045 0.000 0.214 304 D C 1.504 177.832 176.300 0.047 0.000 1.063 304 D CA 0.575 54.604 54.000 0.047 0.000 0.847 304 D CB 0.343 41.187 40.800 0.073 0.000 0.933 304 D HN 0.667 nan 8.370 nan 0.000 0.513 305 G N 0.798 109.625 108.800 0.045 0.000 2.179 305 G HA2 -0.334 3.653 3.960 0.045 0.000 0.257 305 G HA3 -0.334 3.653 3.960 0.045 0.000 0.257 305 G C 0.323 175.250 174.900 0.046 0.000 1.010 305 G CA 0.910 46.032 45.100 0.036 0.000 0.736 305 G HN 0.559 nan 8.290 nan 0.000 0.513 306 D N -1.825 118.620 120.400 0.076 0.000 3.000 306 D HA 0.197 4.864 4.640 0.045 0.000 0.190 306 D C 1.662 178.025 176.300 0.105 0.000 1.503 306 D CA 0.385 54.434 54.000 0.081 0.000 1.496 306 D CB -0.693 40.164 40.800 0.096 0.000 1.163 306 D HN 0.080 nan 8.370 nan 0.000 0.231 307 F N 1.154 121.119 119.950 0.026 0.000 2.126 307 F HA 0.209 4.763 4.527 0.045 0.000 0.299 307 F C 0.456 176.264 175.800 0.012 0.000 1.096 307 F CA 1.192 59.208 58.000 0.027 0.000 1.255 307 F CB 0.165 39.182 39.000 0.028 0.000 0.997 307 F HN -0.008 nan 8.300 nan 0.000 0.479 308 L N 0.668 122.064 121.223 0.289 0.000 2.324 308 L HA 0.213 4.580 4.340 0.045 0.000 0.274 308 L C 1.354 178.274 176.870 0.083 0.000 1.012 308 L CA -0.240 54.701 54.840 0.168 0.000 0.859 308 L CB 1.380 43.523 42.059 0.138 0.000 1.224 308 L HN 0.010 nan 8.230 nan 0.000 0.429 309 S N 0.058 115.787 115.700 0.048 0.000 2.442 309 S HA -0.045 4.452 4.470 0.045 0.000 0.236 309 S C 0.504 175.116 174.600 0.020 0.000 1.007 309 S CA 0.695 58.910 58.200 0.026 0.000 0.965 309 S CB 0.106 63.311 63.200 0.007 0.000 0.773 309 S HN 0.697 nan 8.310 nan 0.000 0.504 310 D N 0.182 120.595 120.400 0.023 0.000 2.812 310 D HA 0.328 4.995 4.640 0.045 0.000 0.318 310 D C -0.728 175.577 176.300 0.007 0.000 1.234 310 D CA 0.018 54.024 54.000 0.011 0.000 0.989 310 D CB 1.350 42.154 40.800 0.006 0.000 1.442 310 D HN 0.215 nan 8.370 nan 0.000 0.537 311 T N -0.993 113.557 114.554 -0.007 0.000 2.926 311 T HA 0.249 4.626 4.350 0.045 0.000 0.307 311 T C -1.824 172.866 174.700 -0.017 0.000 1.059 311 T CA -0.753 61.333 62.100 -0.024 0.000 1.122 311 T CB 1.103 69.949 68.868 -0.036 0.000 0.972 311 T HN 0.078 nan 8.240 nan 0.000 0.545 312 P HA -0.164 nan 4.420 nan 0.000 0.217 312 P C 1.626 178.916 177.300 -0.017 0.000 1.151 312 P CA 1.083 64.166 63.100 -0.029 0.000 0.849 312 P CB 0.078 31.727 31.700 -0.086 0.000 0.787 313 E N -0.323 119.856 120.200 -0.035 0.000 2.033 313 E HA -0.212 4.165 4.350 0.045 0.000 0.199 313 E C 2.137 178.741 176.600 0.007 0.000 1.011 313 E CA 1.873 58.261 56.400 -0.021 0.000 0.815 313 E CB -1.382 28.300 29.700 -0.031 0.000 0.755 313 E HN 0.195 nan 8.360 nan 0.000 0.451 314 A N 1.275 124.097 122.820 0.004 0.000 1.902 314 A HA -0.137 4.210 4.320 0.045 0.000 0.217 314 A C 2.479 180.083 177.584 0.033 0.000 1.181 314 A CA 1.326 53.370 52.037 0.012 0.000 0.623 314 A CB -0.759 18.243 19.000 0.002 0.000 0.818 314 A HN 0.188 nan 8.150 nan 0.000 0.443 315 L N -0.152 121.099 121.223 0.048 0.000 2.093 315 L HA -0.159 4.208 4.340 0.045 0.000 0.208 315 L C 2.617 179.594 176.870 0.178 0.000 1.085 315 L CA 1.633 56.525 54.840 0.088 0.000 0.755 315 L CB -0.669 41.448 42.059 0.097 0.000 0.904 315 L HN 0.686 nan 8.230 nan 0.000 0.435 316 I N -2.946 117.724 120.570 0.168 0.000 2.439 316 I HA -0.129 4.068 4.170 0.045 0.000 0.251 316 I C 2.042 178.289 176.117 0.217 0.000 1.139 316 I CA 1.200 62.646 61.300 0.244 0.000 1.438 316 I CB -0.453 37.599 38.000 0.087 0.000 1.085 316 I HN 0.144 nan 8.210 nan 0.000 0.427 317 N N 1.510 120.277 118.700 0.113 0.000 2.166 317 N HA -0.134 4.632 4.740 0.045 0.000 0.186 317 N C 1.869 177.417 175.510 0.064 0.000 1.019 317 N CA 2.318 55.415 53.050 0.078 0.000 0.856 317 N CB -0.455 38.057 38.487 0.041 0.000 0.993 317 N HN 0.697 nan 8.380 nan 0.000 0.426 318 T N -3.775 110.804 114.554 0.041 0.000 3.044 318 T HA 0.321 4.698 4.350 0.045 0.000 0.260 318 T C 0.975 175.612 174.700 -0.104 0.000 1.019 318 T CA -0.295 61.794 62.100 -0.018 0.000 0.921 318 T CB -0.021 68.833 68.868 -0.023 0.000 1.053 318 T HN 0.072 nan 8.240 nan 0.000 0.533 319 G N 0.748 109.458 108.800 -0.150 0.000 2.594 319 G HA2 0.387 4.374 3.960 0.045 0.000 0.243 319 G HA3 0.387 4.374 3.960 0.045 0.000 0.243 319 G C -1.046 173.335 174.900 -0.864 0.000 1.229 319 G CA -0.338 44.398 45.100 -0.607 0.000 0.843 319 G HN 0.286 nan 8.290 nan 0.000 0.578 320 D N 0.014 119.862 120.400 -0.919 0.000 2.349 320 D HA 0.419 5.086 4.640 0.045 0.000 0.232 320 D C -0.460 175.433 176.300 -0.678 0.000 1.071 320 D CA -0.591 53.047 54.000 -0.603 0.000 0.832 320 D CB 0.944 41.570 40.800 -0.290 0.000 1.086 320 D HN 0.100 nan 8.370 nan 0.000 0.504 321 F N 1.871 121.826 119.950 0.009 0.000 2.764 321 F HA 0.160 4.714 4.527 0.045 0.000 0.310 321 F C 2.047 177.854 175.800 0.011 0.000 1.124 321 F CA -0.424 57.585 58.000 0.014 0.000 1.252 321 F CB 0.276 39.294 39.000 0.031 0.000 1.010 321 F HN 0.253 nan 8.300 nan 0.000 0.518 322 Q N 0.521 120.379 119.800 0.097 0.000 2.047 322 Q HA -0.212 4.154 4.340 0.045 0.000 0.211 322 Q C 0.375 176.416 176.000 0.067 0.000 1.005 322 Q CA 1.759 57.601 55.803 0.065 0.000 0.866 322 Q CB -0.229 28.520 28.738 0.019 0.000 0.938 322 Q HN 0.355 nan 8.270 nan 0.000 0.414 323 D N 0.181 120.613 120.400 0.053 0.000 2.722 323 D HA 0.191 4.858 4.640 0.045 0.000 0.239 323 D C -0.525 175.805 176.300 0.049 0.000 1.249 323 D CA -0.079 53.945 54.000 0.039 0.000 0.830 323 D CB -0.084 40.725 40.800 0.014 0.000 1.025 323 D HN 0.008 nan 8.370 nan 0.000 0.486 324 L N 0.946 122.225 121.223 0.094 0.000 2.317 324 L HA 0.339 4.706 4.340 0.045 0.000 0.281 324 L C -0.660 176.280 176.870 0.116 0.000 1.024 324 L CA -0.373 54.530 54.840 0.105 0.000 0.810 324 L CB 1.683 43.841 42.059 0.165 0.000 1.240 324 L HN -0.230 nan 8.230 nan 0.000 0.427 325 Q N 2.986 122.862 119.800 0.127 0.000 2.316 325 Q HA 0.752 5.118 4.340 0.045 0.000 0.264 325 Q C -1.447 174.795 176.000 0.403 0.000 0.987 325 Q CA -0.383 55.548 55.803 0.214 0.000 0.852 325 Q CB 2.451 31.236 28.738 0.078 0.000 1.287 325 Q HN 0.452 nan 8.270 nan 0.000 0.448 326 V N 2.661 122.815 119.914 0.401 0.000 2.686 326 V HA 0.439 4.586 4.120 0.045 0.000 0.306 326 V C -1.442 174.675 176.094 0.038 0.000 1.065 326 V CA -0.874 61.585 62.300 0.265 0.000 0.894 326 V CB 1.903 33.767 31.823 0.068 0.000 1.004 326 V HN 0.604 nan 8.190 nan 0.000 0.424 327 L N 7.307 128.292 121.223 -0.398 0.000 2.287 327 L HA 0.869 5.236 4.340 0.045 0.000 0.287 327 L C -0.351 176.388 176.870 -0.218 0.000 1.022 327 L CA -0.061 54.426 54.840 -0.588 0.000 0.814 327 L CB 1.522 42.696 42.059 -1.474 0.000 1.217 327 L HN 0.616 nan 8.230 nan 0.000 0.420 328 V N 2.315 122.161 119.914 -0.113 0.000 2.962 328 V HA 1.129 5.275 4.120 0.045 0.000 0.313 328 V C -0.161 175.677 176.094 -0.426 0.000 1.099 328 V CA 0.194 62.404 62.300 -0.149 0.000 0.971 328 V CB 1.193 32.907 31.823 -0.182 0.000 1.028 328 V HN 1.046 nan 8.190 nan 0.000 0.430 329 G N 0.924 109.328 108.800 -0.660 0.000 2.548 329 G HA2 0.806 4.792 3.960 0.045 0.000 0.301 329 G HA3 0.806 4.792 3.960 0.045 0.000 0.301 329 G C -1.152 173.457 174.900 -0.485 0.000 1.349 329 G CA 0.027 44.349 45.100 -1.296 0.000 0.792 329 G HN 2.061 nan 8.290 nan 0.000 0.481 330 V N -2.506 117.282 119.914 -0.210 0.000 3.181 330 V HA 0.918 5.065 4.120 0.045 0.000 0.308 330 V C 0.140 176.474 176.094 0.401 0.000 1.214 330 V CA -0.505 61.887 62.300 0.152 0.000 1.053 330 V CB 1.153 33.032 31.823 0.093 0.000 1.069 330 V HN 1.759 nan 8.190 nan 0.000 0.441 331 V N -0.726 119.433 119.914 0.408 0.000 2.966 331 V HA 0.569 4.716 4.120 0.045 0.000 0.317 331 V C 1.449 177.771 176.094 0.379 0.000 1.070 331 V CA -0.027 62.567 62.300 0.490 0.000 1.008 331 V CB 1.250 33.353 31.823 0.466 0.000 1.070 331 V HN 1.098 nan 8.190 nan 0.000 0.457 332 K N 0.110 120.726 120.400 0.360 0.000 2.113 332 K HA -0.141 4.205 4.320 0.045 0.000 0.208 332 K C 0.361 177.108 176.600 0.245 0.000 1.047 332 K CA 2.125 58.570 56.287 0.263 0.000 0.928 332 K CB 0.043 32.665 32.500 0.204 0.000 0.716 332 K HN 0.910 nan 8.250 nan 0.000 0.446 333 D N 1.029 121.588 120.400 0.264 0.000 2.795 333 D HA 0.032 4.699 4.640 0.045 0.000 0.335 333 D C 0.219 176.699 176.300 0.301 0.000 1.262 333 D CA -0.107 54.043 54.000 0.250 0.000 0.885 333 D CB 1.244 42.165 40.800 0.203 0.000 1.047 333 D HN 0.127 nan 8.370 nan 0.000 0.500 334 E N 0.558 120.949 120.200 0.318 0.000 2.187 334 E HA -0.152 4.224 4.350 0.045 0.000 0.199 334 E C 1.872 178.725 176.600 0.421 0.000 1.004 334 E CA 0.912 57.549 56.400 0.395 0.000 0.813 334 E CB 0.103 29.979 29.700 0.293 0.000 0.736 334 E HN 0.459 nan 8.360 nan 0.000 0.468 335 G N 0.328 109.317 108.800 0.316 0.000 2.838 335 G HA2 -0.096 3.891 3.960 0.045 0.000 0.210 335 G HA3 -0.096 3.891 3.960 0.045 0.000 0.210 335 G C 1.657 176.779 174.900 0.369 0.000 1.153 335 G CA 0.667 45.962 45.100 0.326 0.000 0.778 335 G HN 0.345 nan 8.290 nan 0.000 0.539 336 S N -0.129 115.753 115.700 0.303 0.000 2.355 336 S HA -0.182 4.315 4.470 0.045 0.000 0.222 336 S C 2.046 176.726 174.600 0.134 0.000 1.031 336 S CA 1.010 59.356 58.200 0.244 0.000 0.993 336 S CB -0.917 62.342 63.200 0.097 0.000 0.859 336 S HN 0.437 nan 8.310 nan 0.000 0.453 337 Y N 1.350 121.572 120.300 -0.130 0.000 2.139 337 Y HA -0.251 4.325 4.550 0.045 0.000 0.282 337 Y C 1.823 177.527 175.900 -0.326 0.000 1.179 337 Y CA 1.818 59.644 58.100 -0.457 0.000 1.161 337 Y CB -0.315 37.773 38.460 -0.621 0.000 0.970 337 Y HN 0.278 nan 8.280 nan 0.000 0.511 338 F N -0.692 119.379 119.950 0.202 0.000 2.558 338 F HA -0.123 4.430 4.527 0.044 0.000 0.298 338 F C 1.870 177.796 175.800 0.210 0.000 1.119 338 F CA 0.633 58.733 58.000 0.167 0.000 1.451 338 F CB -0.430 38.564 39.000 -0.010 0.000 1.091 338 F HN 0.023 nan 8.300 nan 0.000 0.563 339 L N -0.071 121.306 121.223 0.256 0.000 2.141 339 L HA -0.145 4.222 4.340 0.045 0.000 0.209 339 L C 2.449 179.431 176.870 0.188 0.000 1.094 339 L CA 0.975 55.825 54.840 0.016 0.000 0.763 339 L CB -0.859 40.927 42.059 -0.456 0.000 0.908 339 L HN 0.157 nan 8.230 nan 0.000 0.437 340 V N -4.352 115.724 119.914 0.271 0.000 2.913 340 V HA -0.232 3.915 4.120 0.045 0.000 0.260 340 V C 1.240 177.370 176.094 0.060 0.000 1.098 340 V CA 1.065 63.505 62.300 0.232 0.000 1.121 340 V CB -1.252 30.701 31.823 0.217 0.000 0.714 340 V HN 0.326 nan 8.190 nan 0.000 0.487 341 Y N 1.779 122.199 120.300 0.199 0.000 2.801 341 Y HA 0.644 5.221 4.550 0.045 0.000 0.340 341 Y C 1.584 177.576 175.900 0.153 0.000 1.088 341 Y CA 0.297 58.476 58.100 0.133 0.000 1.444 341 Y CB 0.449 38.960 38.460 0.085 0.000 1.251 341 Y HN 0.392 nan 8.280 nan 0.000 0.522 342 G N -1.296 107.664 108.800 0.268 0.000 2.738 342 G HA2 -0.181 3.806 3.960 0.045 0.000 0.195 342 G HA3 -0.181 3.806 3.960 0.045 0.000 0.195 342 G C -0.487 174.536 174.900 0.205 0.000 1.001 342 G CA -0.478 44.769 45.100 0.245 0.000 0.759 342 G HN -0.000 nan 8.290 nan 0.000 0.494 343 V N 3.302 123.344 119.914 0.213 0.000 2.387 343 V HA 0.368 4.515 4.120 0.045 0.000 0.260 343 V C -1.726 174.569 176.094 0.335 0.000 1.054 343 V CA -1.350 61.085 62.300 0.225 0.000 0.967 343 V CB 0.768 32.660 31.823 0.115 0.000 1.036 343 V HN 0.115 nan 8.190 nan 0.000 0.481 344 P HA 0.213 nan 4.420 nan 0.000 0.265 344 P C 1.076 178.492 177.300 0.193 0.000 1.187 344 P CA 1.313 64.525 63.100 0.185 0.000 0.766 344 P CB 0.649 32.420 31.700 0.119 0.000 0.820 345 G N 0.718 109.559 108.800 0.070 0.000 2.213 345 G HA2 -0.217 3.770 3.960 0.045 0.000 0.236 345 G HA3 -0.217 3.770 3.960 0.045 0.000 0.236 345 G C -0.217 174.475 174.900 -0.346 0.000 0.991 345 G CA -0.545 44.464 45.100 -0.151 0.000 0.629 345 G HN 0.404 nan 8.290 nan 0.000 0.517 346 F N 1.303 121.266 119.950 0.022 0.000 2.469 346 F HA 0.793 5.346 4.527 0.044 0.000 0.332 346 F C 0.488 176.387 175.800 0.164 0.000 1.103 346 F CA -0.164 57.862 58.000 0.043 0.000 0.979 346 F CB 2.421 41.491 39.000 0.115 0.000 1.137 346 F HN 0.271 nan 8.300 nan 0.000 0.463 347 S N 1.698 117.648 115.700 0.416 0.000 2.552 347 S HA 0.279 4.776 4.470 0.045 0.000 0.272 347 S C 0.035 174.928 174.600 0.488 0.000 1.150 347 S CA -0.902 57.539 58.200 0.402 0.000 0.849 347 S CB 1.328 64.667 63.200 0.232 0.000 1.113 347 S HN 0.736 nan 8.310 nan 0.000 0.458 348 K N 1.373 121.938 120.400 0.274 0.000 2.439 348 K HA 0.099 4.446 4.320 0.045 0.000 0.197 348 K C 0.221 176.827 176.600 0.010 0.000 1.041 348 K CA 1.133 57.475 56.287 0.091 0.000 0.970 348 K CB -0.107 32.179 32.500 -0.356 0.000 0.773 348 K HN 0.432 nan 8.250 nan 0.000 0.479 349 D N 1.112 121.519 120.400 0.011 0.000 2.259 349 D HA -0.045 4.622 4.640 0.045 0.000 0.216 349 D C 0.274 176.600 176.300 0.044 0.000 0.961 349 D CA 0.671 54.649 54.000 -0.036 0.000 0.878 349 D CB -0.142 40.614 40.800 -0.073 0.000 1.009 349 D HN 0.431 nan 8.370 nan 0.000 0.490 350 N N 0.141 118.888 118.700 0.078 0.000 2.476 350 N HA 0.096 4.863 4.740 0.045 0.000 0.276 350 N C 0.375 175.936 175.510 0.084 0.000 1.204 350 N CA -0.434 52.643 53.050 0.046 0.000 0.974 350 N CB 0.831 39.308 38.487 -0.018 0.000 1.204 350 N HN -0.249 nan 8.380 nan 0.000 0.543 351 E N -0.737 119.452 120.200 -0.018 0.000 2.516 351 E HA -0.029 4.348 4.350 0.045 0.000 0.199 351 E C -0.499 175.742 176.600 -0.597 0.000 1.069 351 E CA 0.133 56.468 56.400 -0.109 0.000 0.876 351 E CB -0.277 29.388 29.700 -0.058 0.000 0.843 351 E HN 0.620 nan 8.360 nan 0.000 0.530 352 S N 0.164 115.542 115.700 -0.538 0.000 3.682 352 S HA -0.185 4.312 4.470 0.045 0.000 0.354 352 S C 0.093 174.215 174.600 -0.795 0.000 1.034 352 S CA 0.137 57.854 58.200 -0.805 0.000 1.084 352 S CB -1.463 60.959 63.200 -1.297 0.000 0.903 352 S HN 0.320 nan 8.310 nan 0.000 0.470 353 L N 2.004 122.938 121.223 -0.481 0.000 2.407 353 L HA 0.383 4.749 4.340 0.045 0.000 0.282 353 L C 0.829 177.495 176.870 -0.339 0.000 1.110 353 L CA -0.151 54.478 54.840 -0.353 0.000 0.863 353 L CB -0.007 41.923 42.059 -0.215 0.000 1.207 353 L HN 0.450 nan 8.230 nan 0.000 0.454 354 I N 0.342 120.694 120.570 -0.364 0.000 2.677 354 I HA 0.524 4.721 4.170 0.045 0.000 0.305 354 I C 0.782 176.826 176.117 -0.122 0.000 0.988 354 I CA -0.548 60.585 61.300 -0.279 0.000 1.260 354 I CB 1.598 39.413 38.000 -0.308 0.000 1.410 354 I HN 0.544 nan 8.210 nan 0.000 0.523 355 S N 3.540 119.202 115.700 -0.064 0.000 2.624 355 S HA 0.278 4.774 4.470 0.045 0.000 0.263 355 S C 1.015 175.644 174.600 0.048 0.000 1.287 355 S CA -0.367 57.824 58.200 -0.015 0.000 0.990 355 S CB 1.411 64.609 63.200 -0.004 0.000 0.950 355 S HN 0.889 nan 8.310 nan 0.000 0.561 356 R N 0.631 121.162 120.500 0.052 0.000 2.073 356 R HA -0.059 4.307 4.340 0.045 0.000 0.234 356 R C 2.460 178.859 176.300 0.165 0.000 1.134 356 R CA 1.638 57.809 56.100 0.117 0.000 0.952 356 R CB -1.252 29.089 30.300 0.069 0.000 0.850 356 R HN 0.837 nan 8.270 nan 0.000 0.433 357 A N 0.653 123.533 122.820 0.099 0.000 1.892 357 A HA -0.290 4.056 4.320 0.045 0.000 0.218 357 A C 2.118 179.758 177.584 0.094 0.000 1.188 357 A CA 1.917 54.004 52.037 0.082 0.000 0.631 357 A CB -0.751 18.281 19.000 0.053 0.000 0.822 357 A HN 0.568 nan 8.150 nan 0.000 0.447 358 Q N -2.139 117.722 119.800 0.101 0.000 2.170 358 Q HA -0.144 4.223 4.340 0.045 0.000 0.203 358 Q C 1.856 177.974 176.000 0.198 0.000 0.976 358 Q CA 1.583 57.457 55.803 0.118 0.000 0.858 358 Q CB -0.247 28.532 28.738 0.070 0.000 0.907 358 Q HN 0.818 nan 8.270 nan 0.000 0.433 359 F N 0.612 120.607 119.950 0.075 0.000 2.098 359 F HA -0.174 4.384 4.527 0.051 0.000 0.294 359 F C 1.719 177.570 175.800 0.085 0.000 1.107 359 F CA 0.947 59.006 58.000 0.098 0.000 1.234 359 F CB 0.030 39.069 39.000 0.065 0.000 1.002 359 F HN -0.045 nan 8.300 nan 0.000 0.472 360 L N 0.435 121.617 121.223 -0.068 0.000 2.042 360 L HA -0.253 4.114 4.340 0.045 0.000 0.210 360 L C 2.819 179.620 176.870 -0.114 0.000 1.076 360 L CA 1.512 56.264 54.840 -0.146 0.000 0.749 360 L CB -1.700 40.360 42.059 0.002 0.000 0.893 360 L HN 0.321 nan 8.230 nan 0.000 0.432 361 A N 0.319 123.121 122.820 -0.029 0.000 1.969 361 A HA -0.057 4.290 4.320 0.045 0.000 0.218 361 A C 2.393 179.972 177.584 -0.007 0.000 1.169 361 A CA 1.547 53.583 52.037 -0.002 0.000 0.635 361 A CB -0.950 18.072 19.000 0.037 0.000 0.810 361 A HN 0.449 nan 8.150 nan 0.000 0.445 362 G N -0.821 107.977 108.800 -0.004 0.000 2.421 362 G HA2 0.004 3.991 3.960 0.045 0.000 0.217 362 G HA3 0.004 3.991 3.960 0.045 0.000 0.217 362 G C 1.415 176.272 174.900 -0.071 0.000 1.143 362 G CA 1.049 46.161 45.100 0.021 0.000 0.784 362 G HN 0.288 nan 8.290 nan 0.000 0.541 363 V N 1.032 120.825 119.914 -0.202 0.000 2.427 363 V HA -0.100 4.047 4.120 0.045 0.000 0.248 363 V C 2.904 178.946 176.094 -0.088 0.000 1.051 363 V CA 1.361 63.541 62.300 -0.201 0.000 1.048 363 V CB -0.338 31.269 31.823 -0.360 0.000 0.666 363 V HN 0.201 nan 8.190 nan 0.000 0.456 364 R N -0.161 120.297 120.500 -0.070 0.000 2.152 364 R HA 0.027 4.393 4.340 0.045 0.000 0.232 364 R C 1.971 178.257 176.300 -0.023 0.000 1.117 364 R CA 1.302 57.380 56.100 -0.037 0.000 0.981 364 R CB -0.727 29.556 30.300 -0.028 0.000 0.870 364 R HN 0.476 nan 8.270 nan 0.000 0.451 365 I N -0.777 119.785 120.570 -0.014 0.000 2.585 365 I HA -0.016 4.181 4.170 0.045 0.000 0.254 365 I C 2.256 178.380 176.117 0.012 0.000 1.129 365 I CA 1.029 62.333 61.300 0.006 0.000 1.455 365 I CB -0.358 37.663 38.000 0.036 0.000 1.111 365 I HN 0.167 nan 8.210 nan 0.000 0.433 366 G N 0.471 109.273 108.800 0.004 0.000 2.421 366 G HA2 -0.065 3.922 3.960 0.045 0.000 0.217 366 G HA3 -0.065 3.922 3.960 0.045 0.000 0.217 366 G C 0.860 175.786 174.900 0.043 0.000 1.143 366 G CA 0.455 45.563 45.100 0.014 0.000 0.784 366 G HN 0.222 nan 8.290 nan 0.000 0.541 367 V N 2.214 122.132 119.914 0.006 0.000 2.326 367 V HA 0.222 4.369 4.120 0.045 0.000 0.254 367 V C -1.443 174.649 176.094 -0.004 0.000 1.022 367 V CA -1.132 61.147 62.300 -0.035 0.000 1.074 367 V CB 1.399 33.167 31.823 -0.092 0.000 1.305 367 V HN 0.104 nan 8.190 nan 0.000 0.506 368 P HA -0.126 nan 4.420 nan 0.000 0.222 368 P C 1.101 178.393 177.300 -0.015 0.000 1.147 368 P CA 0.972 64.064 63.100 -0.013 0.000 0.790 368 P CB 0.564 32.244 31.700 -0.033 0.000 0.780 369 Q N -0.342 119.464 119.800 0.010 0.000 2.444 369 Q HA 0.208 4.574 4.340 0.045 0.000 0.206 369 Q C 0.832 176.823 176.000 -0.014 0.000 0.948 369 Q CA 0.078 55.881 55.803 -0.000 0.000 0.946 369 Q CB -0.535 28.218 28.738 0.025 0.000 1.027 369 Q HN 0.181 nan 8.270 nan 0.000 0.513 370 A N 0.742 123.552 122.820 -0.018 0.000 2.409 370 A HA 0.437 4.784 4.320 0.045 0.000 0.262 370 A C 0.360 177.928 177.584 -0.027 0.000 1.113 370 A CA -0.430 51.591 52.037 -0.027 0.000 0.790 370 A CB 0.222 19.209 19.000 -0.023 0.000 1.046 370 A HN 0.345 nan 8.150 nan 0.000 0.496 371 S N 2.249 117.930 115.700 -0.032 0.000 2.598 371 S HA 0.075 4.571 4.470 0.045 0.000 0.256 371 S C 0.361 174.954 174.600 -0.013 0.000 1.350 371 S CA 0.231 58.416 58.200 -0.026 0.000 0.984 371 S CB 0.256 63.437 63.200 -0.033 0.000 0.930 371 S HN 0.645 nan 8.310 nan 0.000 0.577 372 D N 0.202 120.599 120.400 -0.005 0.000 2.104 372 D HA -0.088 4.579 4.640 0.045 0.000 0.194 372 D C 1.776 178.089 176.300 0.022 0.000 0.994 372 D CA 0.820 54.824 54.000 0.007 0.000 0.830 372 D CB -0.518 40.287 40.800 0.009 0.000 0.959 372 D HN 0.348 nan 8.370 nan 0.000 0.452 373 L N 0.935 122.169 121.223 0.019 0.000 2.017 373 L HA -0.072 4.295 4.340 0.045 0.000 0.208 373 L C 2.135 179.039 176.870 0.057 0.000 1.073 373 L CA 1.756 56.619 54.840 0.039 0.000 0.745 373 L CB -1.051 41.021 42.059 0.023 0.000 0.894 373 L HN 0.022 nan 8.230 nan 0.000 0.432 374 A N -0.726 122.104 122.820 0.016 0.000 1.908 374 A HA -0.162 4.184 4.320 0.045 0.000 0.218 374 A C 2.419 180.039 177.584 0.059 0.000 1.181 374 A CA 2.106 54.146 52.037 0.005 0.000 0.627 374 A CB -1.109 17.855 19.000 -0.060 0.000 0.818 374 A HN 0.574 nan 8.150 nan 0.000 0.445 375 A N -0.812 122.033 122.820 0.041 0.000 1.897 375 A HA -0.077 4.270 4.320 0.045 0.000 0.215 375 A C 1.958 179.587 177.584 0.075 0.000 1.181 375 A CA 1.381 53.441 52.037 0.040 0.000 0.620 375 A CB -0.430 18.573 19.000 0.005 0.000 0.821 375 A HN 0.467 nan 8.150 nan 0.000 0.443 376 E N 0.110 120.362 120.200 0.086 0.000 2.097 376 E HA -0.225 4.151 4.350 0.045 0.000 0.196 376 E C 2.342 179.044 176.600 0.170 0.000 1.000 376 E CA 1.340 57.813 56.400 0.121 0.000 0.804 376 E CB -0.457 29.306 29.700 0.104 0.000 0.740 376 E HN 0.570 nan 8.360 nan 0.000 0.454 377 A N 0.942 123.881 122.820 0.198 0.000 1.902 377 A HA -0.144 4.202 4.320 0.045 0.000 0.217 377 A C 2.615 180.321 177.584 0.203 0.000 1.181 377 A CA 1.467 53.670 52.037 0.277 0.000 0.623 377 A CB -0.668 18.618 19.000 0.478 0.000 0.818 377 A HN 0.134 nan 8.150 nan 0.000 0.443 378 V N -0.516 119.552 119.914 0.258 0.000 2.295 378 V HA -0.230 3.917 4.120 0.045 0.000 0.246 378 V C 2.571 178.842 176.094 0.295 0.000 1.049 378 V CA 2.005 64.431 62.300 0.210 0.000 1.024 378 V CB -0.751 31.196 31.823 0.207 0.000 0.648 378 V HN 0.372 nan 8.190 nan 0.000 0.447 379 V N -0.208 119.846 119.914 0.234 0.000 2.295 379 V HA -0.235 3.912 4.120 0.045 0.000 0.246 379 V C 2.288 178.627 176.094 0.409 0.000 1.049 379 V CA 1.916 64.412 62.300 0.326 0.000 1.024 379 V CB -0.467 31.480 31.823 0.206 0.000 0.648 379 V HN 0.440 nan 8.190 nan 0.000 0.447 380 L N -0.662 120.787 121.223 0.376 0.000 2.093 380 L HA -0.198 4.169 4.340 0.045 0.000 0.208 380 L C 2.554 179.673 176.870 0.414 0.000 1.085 380 L CA 2.053 57.213 54.840 0.533 0.000 0.755 380 L CB -0.886 41.362 42.059 0.316 0.000 0.904 380 L HN 0.460 nan 8.230 nan 0.000 0.435 381 H N -0.567 118.513 119.070 0.016 0.000 2.353 381 H HA -0.193 4.392 4.556 0.048 0.000 0.300 381 H C 1.784 176.996 175.328 -0.193 0.000 1.090 381 H CA 1.949 57.839 56.048 -0.264 0.000 1.327 381 H CB 0.011 29.236 29.762 -0.894 0.000 1.383 381 H HN 0.242 nan 8.280 nan 0.000 0.508 382 Y N -0.322 120.007 120.300 0.048 0.000 2.500 382 Y HA 0.148 4.725 4.550 0.044 0.000 0.270 382 Y C 0.772 176.601 175.900 -0.117 0.000 1.134 382 Y CA 0.285 58.418 58.100 0.055 0.000 1.293 382 Y CB 0.310 38.971 38.460 0.335 0.000 1.063 382 Y HN 0.015 nan 8.280 nan 0.000 0.534 383 T N 1.801 116.293 114.554 -0.104 0.000 2.902 383 T HA -0.097 4.280 4.350 0.045 0.000 0.301 383 T C -0.063 174.248 174.700 -0.650 0.000 1.012 383 T CA -0.079 61.658 62.100 -0.604 0.000 1.151 383 T CB 0.166 68.313 68.868 -1.202 0.000 0.946 383 T HN 0.101 nan 8.240 nan 0.000 0.542 384 D N 2.447 122.543 120.400 -0.506 0.000 2.402 384 D HA 0.038 4.705 4.640 0.045 0.000 0.235 384 D C 0.214 176.241 176.300 -0.456 0.000 1.226 384 D CA -0.412 53.374 54.000 -0.358 0.000 0.918 384 D CB 0.320 40.933 40.800 -0.312 0.000 1.043 384 D HN 0.634 nan 8.370 nan 0.000 0.506 385 W N 3.186 124.403 121.300 -0.139 0.000 2.632 385 W HA -0.035 4.649 4.660 0.041 0.000 0.248 385 W C 2.083 178.483 176.519 -0.198 0.000 1.259 385 W CA -0.213 57.050 57.345 -0.137 0.000 1.288 385 W CB 0.081 29.477 29.460 -0.106 0.000 1.136 385 W HN 0.450 nan 8.180 nan 0.000 0.640 386 L N -0.885 120.226 121.223 -0.187 0.000 2.249 386 L HA -0.016 4.351 4.340 0.045 0.000 0.207 386 L C 0.065 176.504 176.870 -0.719 0.000 1.090 386 L CA 1.078 55.654 54.840 -0.440 0.000 0.802 386 L CB -0.049 41.674 42.059 -0.559 0.000 0.947 386 L HN 0.008 nan 8.230 nan 0.000 0.453 387 H N -1.398 117.496 119.070 -0.293 0.000 2.379 387 H HA 0.200 4.763 4.556 0.012 0.000 0.229 387 H C -1.927 173.183 175.328 -0.363 0.000 1.423 387 H CA -1.561 54.287 56.048 -0.332 0.000 1.375 387 H CB 0.162 29.623 29.762 -0.502 0.000 1.592 387 H HN 0.028 nan 8.280 nan 0.000 0.507 388 P HA -0.137 nan 4.420 nan 0.000 0.221 388 P C 0.646 177.796 177.300 -0.250 0.000 1.150 388 P CA 1.183 64.073 63.100 -0.350 0.000 0.800 388 P CB 0.673 32.221 31.700 -0.253 0.000 0.787 389 E N -0.394 119.727 120.200 -0.132 0.000 2.501 389 E HA 0.041 4.418 4.350 0.045 0.000 0.201 389 E C -0.088 176.471 176.600 -0.068 0.000 1.016 389 E CA -0.166 56.183 56.400 -0.084 0.000 0.920 389 E CB -0.064 29.614 29.700 -0.038 0.000 1.023 389 E HN 0.244 nan 8.360 nan 0.000 0.474 390 D N 2.025 122.385 120.400 -0.066 0.000 2.382 390 D HA 0.005 4.672 4.640 0.045 0.000 0.259 390 D C -1.695 174.589 176.300 -0.027 0.000 1.224 390 D CA -1.768 52.224 54.000 -0.015 0.000 0.894 390 D CB 1.371 42.204 40.800 0.054 0.000 1.127 390 D HN -0.183 nan 8.370 nan 0.000 0.487 391 P HA -0.136 nan 4.420 nan 0.000 0.214 391 P C 1.258 178.501 177.300 -0.095 0.000 1.163 391 P CA 1.262 64.307 63.100 -0.090 0.000 0.883 391 P CB 0.102 31.738 31.700 -0.106 0.000 0.788 392 T N -1.668 112.840 114.554 -0.077 0.000 2.699 392 T HA -0.225 4.152 4.350 0.045 0.000 0.268 392 T C 1.576 176.214 174.700 -0.103 0.000 1.036 392 T CA 1.797 63.837 62.100 -0.099 0.000 1.147 392 T CB -1.081 67.721 68.868 -0.110 0.000 0.862 392 T HN 0.279 nan 8.240 nan 0.000 0.446 393 H N 0.308 119.311 119.070 -0.113 0.000 2.326 393 H HA 0.130 4.705 4.556 0.032 0.000 0.301 393 H C 2.194 177.417 175.328 -0.175 0.000 1.081 393 H CA 1.201 57.176 56.048 -0.122 0.000 1.334 393 H CB -0.305 29.375 29.762 -0.137 0.000 1.385 393 H HN 0.187 nan 8.280 nan 0.000 0.504 394 L N 0.079 121.236 121.223 -0.110 0.000 2.046 394 L HA -0.187 4.180 4.340 0.045 0.000 0.208 394 L C 2.758 179.577 176.870 -0.086 0.000 1.077 394 L CA 1.162 55.808 54.840 -0.323 0.000 0.747 394 L CB -0.337 41.560 42.059 -0.270 0.000 0.896 394 L HN 0.254 nan 8.230 nan 0.000 0.432 395 R N 0.544 121.041 120.500 -0.006 0.000 2.080 395 R HA -0.197 4.170 4.340 0.045 0.000 0.236 395 R C 1.748 178.185 176.300 0.229 0.000 1.137 395 R CA 2.271 58.453 56.100 0.138 0.000 0.943 395 R CB -0.486 29.735 30.300 -0.132 0.000 0.846 395 R HN 0.313 nan 8.270 nan 0.000 0.431 396 D N 0.419 120.891 120.400 0.120 0.000 2.144 396 D HA -0.107 4.560 4.640 0.045 0.000 0.199 396 D C 1.755 178.165 176.300 0.183 0.000 0.984 396 D CA 1.520 55.616 54.000 0.159 0.000 0.834 396 D CB -0.265 40.578 40.800 0.072 0.000 0.955 396 D HN 0.404 nan 8.370 nan 0.000 0.465 397 A N 0.585 123.482 122.820 0.129 0.000 1.902 397 A HA -0.178 4.169 4.320 0.045 0.000 0.217 397 A C 2.156 179.905 177.584 0.274 0.000 1.181 397 A CA 1.702 53.855 52.037 0.192 0.000 0.623 397 A CB -0.539 18.439 19.000 -0.036 0.000 0.818 397 A HN 0.163 nan 8.150 nan 0.000 0.443 398 M N 0.038 119.864 119.600 0.376 0.000 2.080 398 M HA -0.136 4.371 4.480 0.045 0.000 0.260 398 M C 2.320 178.705 176.300 0.142 0.000 1.068 398 M CA 2.258 57.779 55.300 0.368 0.000 1.109 398 M CB -0.623 32.245 32.600 0.447 0.000 1.342 398 M HN 0.420 nan 8.290 nan 0.000 0.405 399 S N -0.346 115.461 115.700 0.178 0.000 2.359 399 S HA -0.190 4.307 4.470 0.045 0.000 0.223 399 S C 2.061 176.753 174.600 0.154 0.000 1.039 399 S CA 2.000 60.312 58.200 0.187 0.000 1.042 399 S CB -0.784 62.593 63.200 0.295 0.000 0.915 399 S HN 0.664 nan 8.310 nan 0.000 0.439 400 A N 0.784 123.711 122.820 0.177 0.000 1.883 400 A HA -0.041 4.306 4.320 0.045 0.000 0.217 400 A C 2.404 180.007 177.584 0.030 0.000 1.186 400 A CA 1.926 54.086 52.037 0.205 0.000 0.624 400 A CB -1.244 17.993 19.000 0.395 0.000 0.822 400 A HN 0.477 nan 8.150 nan 0.000 0.444 401 V N -0.441 119.316 119.914 -0.262 0.000 2.282 401 V HA -0.271 3.876 4.120 0.045 0.000 0.249 401 V C 2.579 178.577 176.094 -0.160 0.000 1.057 401 V CA 2.246 64.316 62.300 -0.384 0.000 1.032 401 V CB -0.677 30.988 31.823 -0.263 0.000 0.645 401 V HN 0.401 nan 8.190 nan 0.000 0.447 402 V N 0.338 120.198 119.914 -0.091 0.000 2.379 402 V HA -0.074 4.073 4.120 0.045 0.000 0.245 402 V C 2.589 178.559 176.094 -0.207 0.000 1.044 402 V CA 1.951 64.183 62.300 -0.114 0.000 1.036 402 V CB -1.201 30.619 31.823 -0.006 0.000 0.664 402 V HN 0.600 nan 8.190 nan 0.000 0.453 403 G N -0.166 108.596 108.800 -0.064 0.000 2.408 403 G HA2 -0.216 3.771 3.960 0.045 0.000 0.217 403 G HA3 -0.216 3.771 3.960 0.045 0.000 0.217 403 G C 1.195 176.015 174.900 -0.133 0.000 1.150 403 G CA 1.034 46.112 45.100 -0.036 0.000 0.776 403 G HN 0.514 nan 8.290 nan 0.000 0.542 404 D N -0.318 120.004 120.400 -0.129 0.000 2.120 404 D HA -0.044 4.623 4.640 0.045 0.000 0.202 404 D C 2.104 178.052 176.300 -0.586 0.000 0.972 404 D CA 1.098 54.987 54.000 -0.185 0.000 0.837 404 D CB -0.569 40.291 40.800 0.101 0.000 0.989 404 D HN 0.355 nan 8.370 nan 0.000 0.469 405 H N 1.135 119.526 119.070 -1.132 0.000 2.352 405 H HA -0.026 4.556 4.556 0.044 0.000 0.299 405 H C 1.476 176.359 175.328 -0.741 0.000 1.097 405 H CA 1.740 56.919 56.048 -1.449 0.000 1.311 405 H CB 0.033 28.921 29.762 -1.456 0.000 1.377 405 H HN -0.016 nan 8.280 nan 0.000 0.504 406 N N -0.990 117.242 118.700 -0.780 0.000 2.402 406 N HA 0.008 4.775 4.740 0.045 0.000 0.174 406 N C 1.408 176.651 175.510 -0.445 0.000 1.027 406 N CA 1.113 53.633 53.050 -0.883 0.000 0.891 406 N CB 0.893 38.274 38.487 -1.843 0.000 1.016 406 N HN 0.281 nan 8.380 nan 0.000 0.439 407 V N -0.465 119.256 119.914 -0.322 0.000 3.278 407 V HA 0.070 4.217 4.120 0.045 0.000 0.215 407 V C 2.172 178.234 176.094 -0.053 0.000 1.287 407 V CA 0.220 62.490 62.300 -0.050 0.000 1.302 407 V CB -0.102 31.782 31.823 0.102 0.000 1.228 407 V HN -0.171 nan 8.190 nan 0.000 0.523 408 V N 0.158 120.041 119.914 -0.053 0.000 2.287 408 V HA -0.309 3.838 4.120 0.045 0.000 0.248 408 V C 2.489 178.554 176.094 -0.048 0.000 1.053 408 V CA 2.673 64.959 62.300 -0.024 0.000 1.027 408 V CB -0.772 31.069 31.823 0.031 0.000 0.646 408 V HN 0.670 nan 8.190 nan 0.000 0.447 409 c N -0.628 117.933 118.600 -0.066 0.000 2.486 409 c HA 0.035 4.632 4.570 0.045 0.000 0.279 409 c C 0.552 174.615 174.090 -0.045 0.000 1.302 409 c CA 0.715 57.036 56.329 -0.013 0.000 1.720 409 c CB -1.781 40.763 42.510 0.057 0.000 2.030 409 c HN 0.455 nan 8.230 nan 0.000 0.490 410 P HA -0.102 nan 4.420 nan 0.000 0.216 410 P C 1.778 179.016 177.300 -0.104 0.000 1.153 410 P CA 1.495 64.522 63.100 -0.121 0.000 0.858 410 P CB -0.193 31.402 31.700 -0.175 0.000 0.789 411 V N 0.005 119.861 119.914 -0.097 0.000 2.343 411 V HA -0.262 3.884 4.120 0.045 0.000 0.247 411 V C 2.469 178.459 176.094 -0.173 0.000 1.051 411 V CA 2.279 64.503 62.300 -0.126 0.000 1.036 411 V CB -1.699 30.050 31.823 -0.123 0.000 0.654 411 V HN 0.105 nan 8.190 nan 0.000 0.451 412 A N -0.411 122.327 122.820 -0.137 0.000 1.933 412 A HA -0.317 4.030 4.320 0.045 0.000 0.218 412 A C 2.229 179.772 177.584 -0.067 0.000 1.175 412 A CA 2.223 54.185 52.037 -0.125 0.000 0.628 412 A CB -0.497 18.490 19.000 -0.022 0.000 0.814 412 A HN 0.662 nan 8.150 nan 0.000 0.444 413 Q N -0.881 118.895 119.800 -0.040 0.000 2.083 413 Q HA -0.092 4.275 4.340 0.045 0.000 0.198 413 Q C 1.910 177.886 176.000 -0.040 0.000 0.969 413 Q CA 1.504 57.300 55.803 -0.011 0.000 0.838 413 Q CB -0.328 28.405 28.738 -0.008 0.000 0.900 413 Q HN 0.467 nan 8.270 nan 0.000 0.436 414 L N 0.759 121.928 121.223 -0.090 0.000 2.012 414 L HA -0.099 4.267 4.340 0.045 0.000 0.210 414 L C 2.316 179.105 176.870 -0.135 0.000 1.073 414 L CA 2.272 57.043 54.840 -0.115 0.000 0.748 414 L CB -0.996 40.980 42.059 -0.137 0.000 0.891 414 L HN 0.335 nan 8.230 nan 0.000 0.431 415 A N -0.559 122.132 122.820 -0.214 0.000 1.865 415 A HA -0.155 4.192 4.320 0.045 0.000 0.217 415 A C 2.340 179.894 177.584 -0.050 0.000 1.191 415 A CA 1.936 53.772 52.037 -0.335 0.000 0.623 415 A CB -1.692 16.766 19.000 -0.903 0.000 0.826 415 A HN 0.547 nan 8.150 nan 0.000 0.444 416 G N -1.058 107.790 108.800 0.079 0.000 2.402 416 G HA2 -0.174 3.813 3.960 0.045 0.000 0.216 416 G HA3 -0.174 3.813 3.960 0.045 0.000 0.216 416 G C 1.682 176.666 174.900 0.140 0.000 1.162 416 G CA 0.744 45.993 45.100 0.248 0.000 0.777 416 G HN 0.382 nan 8.290 nan 0.000 0.539 417 R N 0.291 120.837 120.500 0.078 0.000 2.075 417 R HA 0.092 4.459 4.340 0.045 0.000 0.232 417 R C 2.671 179.044 176.300 0.121 0.000 1.126 417 R CA 0.583 56.739 56.100 0.094 0.000 0.963 417 R CB -1.143 29.206 30.300 0.082 0.000 0.858 417 R HN 0.407 nan 8.270 nan 0.000 0.435 418 L N 0.323 121.561 121.223 0.025 0.000 1.994 418 L HA -0.150 4.217 4.340 0.045 0.000 0.208 418 L C 2.700 179.633 176.870 0.106 0.000 1.071 418 L CA 1.532 56.361 54.840 -0.017 0.000 0.745 418 L CB -0.881 41.055 42.059 -0.205 0.000 0.892 418 L HN 0.134 nan 8.230 nan 0.000 0.431 419 A N 0.338 123.226 122.820 0.114 0.000 1.873 419 A HA -0.278 4.069 4.320 0.045 0.000 0.218 419 A C 2.540 180.194 177.584 0.116 0.000 1.193 419 A CA 2.313 54.431 52.037 0.136 0.000 0.629 419 A CB -0.926 18.203 19.000 0.214 0.000 0.826 419 A HN 0.439 nan 8.150 nan 0.000 0.447 420 A N -1.768 121.126 122.820 0.122 0.000 1.933 420 A HA -0.124 4.223 4.320 0.045 0.000 0.218 420 A C 1.913 179.563 177.584 0.110 0.000 1.175 420 A CA 1.826 53.923 52.037 0.100 0.000 0.628 420 A CB -0.351 18.706 19.000 0.095 0.000 0.814 420 A HN 0.458 nan 8.150 nan 0.000 0.444 421 Q N -1.124 118.779 119.800 0.171 0.000 2.253 421 Q HA 0.341 4.708 4.340 0.045 0.000 0.210 421 Q C 1.001 177.117 176.000 0.193 0.000 0.907 421 Q CA 0.683 56.602 55.803 0.194 0.000 0.948 421 Q CB -0.270 28.695 28.738 0.379 0.000 1.033 421 Q HN 0.898 nan 8.270 nan 0.000 0.471 422 G N -1.320 107.568 108.800 0.147 0.000 2.176 422 G HA2 -0.281 3.706 3.960 0.045 0.000 0.253 422 G HA3 -0.281 3.706 3.960 0.045 0.000 0.253 422 G C 0.337 175.319 174.900 0.135 0.000 0.979 422 G CA 0.025 45.193 45.100 0.112 0.000 0.641 422 G HN 0.634 nan 8.290 nan 0.000 0.530 423 A N -0.134 122.795 122.820 0.183 0.000 2.386 423 A HA 0.679 5.026 4.320 0.045 0.000 0.248 423 A C 0.758 178.391 177.584 0.082 0.000 1.082 423 A CA 0.571 52.695 52.037 0.144 0.000 0.789 423 A CB 0.310 19.370 19.000 0.100 0.000 1.025 423 A HN 0.805 nan 8.150 nan 0.000 0.490 424 R N 1.331 121.876 120.500 0.075 0.000 2.221 424 R HA 0.518 4.885 4.340 0.045 0.000 0.327 424 R C -1.572 174.740 176.300 0.020 0.000 1.033 424 R CA -0.185 55.932 56.100 0.027 0.000 0.887 424 R CB 0.525 30.871 30.300 0.077 0.000 1.057 424 R HN 0.467 nan 8.270 nan 0.000 0.455 425 V N 5.657 125.504 119.914 -0.112 0.000 2.588 425 V HA 0.402 4.549 4.120 0.045 0.000 0.304 425 V C -1.220 174.713 176.094 -0.269 0.000 1.042 425 V CA -0.832 61.428 62.300 -0.067 0.000 0.877 425 V CB 1.564 33.403 31.823 0.027 0.000 0.996 425 V HN 0.660 nan 8.190 nan 0.000 0.425 426 Y N 2.247 122.523 120.300 -0.040 0.000 2.364 426 Y HA 0.807 5.383 4.550 0.044 0.000 0.340 426 Y C 0.361 176.345 175.900 0.140 0.000 0.975 426 Y CA -0.505 57.562 58.100 -0.054 0.000 1.089 426 Y CB 2.198 40.222 38.460 -0.727 0.000 1.192 426 Y HN 0.786 nan 8.280 nan 0.000 0.454 427 A N 3.138 126.330 122.820 0.621 0.000 2.380 427 A HA 0.892 5.239 4.320 0.045 0.000 0.315 427 A C -1.774 176.222 177.584 0.688 0.000 1.101 427 A CA -0.681 51.602 52.037 0.410 0.000 0.771 427 A CB 1.104 20.152 19.000 0.080 0.000 1.287 427 A HN 0.752 nan 8.150 nan 0.000 0.436 428 Y N -0.811 119.760 120.300 0.452 0.000 2.644 428 Y HA 0.799 5.376 4.550 0.044 0.000 0.338 428 Y C -1.107 175.007 175.900 0.357 0.000 1.119 428 Y CA -1.606 56.702 58.100 0.347 0.000 1.060 428 Y CB 1.278 39.903 38.460 0.275 0.000 1.294 428 Y HN 0.730 nan 8.280 nan 0.000 0.472 429 I N 2.501 123.438 120.570 0.611 0.000 2.498 429 I HA 0.513 4.710 4.170 0.045 0.000 0.290 429 I C -1.947 174.544 176.117 0.622 0.000 1.032 429 I CA -1.093 60.528 61.300 0.534 0.000 1.073 429 I CB 1.491 39.746 38.000 0.424 0.000 1.251 429 I HN 0.734 nan 8.210 nan 0.000 0.426 430 F N 7.195 127.454 119.950 0.515 0.000 2.385 430 F HA 0.428 4.983 4.527 0.045 0.000 0.360 430 F C 0.466 176.433 175.800 0.280 0.000 1.122 430 F CA -0.023 58.213 58.000 0.393 0.000 1.090 430 F CB 0.992 40.241 39.000 0.415 0.000 1.150 430 F HN 0.551 nan 8.300 nan 0.000 0.472 431 E N 3.208 123.303 120.200 -0.174 0.000 2.583 431 E HA -0.017 4.360 4.350 0.045 0.000 0.213 431 E C -0.808 175.696 176.600 -0.160 0.000 0.989 431 E CA -0.138 56.231 56.400 -0.051 0.000 0.991 431 E CB 0.298 29.980 29.700 -0.029 0.000 1.040 431 E HN 0.563 nan 8.360 nan 0.000 0.481 432 H N 1.114 119.866 119.070 -0.529 0.000 2.519 432 H HA 0.256 4.839 4.556 0.045 0.000 0.316 432 H C -0.471 174.818 175.328 -0.064 0.000 1.065 432 H CA -0.597 55.183 56.048 -0.446 0.000 1.264 432 H CB 0.598 29.830 29.762 -0.882 0.000 1.413 432 H HN -0.165 nan 8.280 nan 0.000 0.465 433 R N 4.166 124.306 120.500 -0.599 0.000 2.234 433 R HA 0.458 4.825 4.340 0.045 0.000 0.324 433 R C -0.525 175.515 176.300 -0.434 0.000 1.054 433 R CA -0.512 55.416 56.100 -0.287 0.000 0.912 433 R CB 0.351 30.556 30.300 -0.158 0.000 1.030 433 R HN 0.837 nan 8.270 nan 0.000 0.455 434 A N 3.205 126.114 122.820 0.149 0.000 2.548 434 A HA -0.010 4.337 4.320 0.045 0.000 0.247 434 A C 1.349 179.055 177.584 0.204 0.000 1.067 434 A CA 0.537 52.887 52.037 0.521 0.000 0.757 434 A CB 0.241 19.640 19.000 0.666 0.000 0.996 434 A HN 1.014 nan 8.150 nan 0.000 0.504 435 S N 1.742 117.596 115.700 0.257 0.000 2.440 435 S HA -0.177 4.320 4.470 0.045 0.000 0.238 435 S C 1.357 175.952 174.600 -0.008 0.000 1.010 435 S CA 1.690 59.950 58.200 0.101 0.000 0.972 435 S CB -0.763 62.522 63.200 0.142 0.000 0.774 435 S HN 1.207 nan 8.310 nan 0.000 0.501 436 T N -1.091 113.430 114.554 -0.054 0.000 3.086 436 T HA 0.336 4.713 4.350 0.045 0.000 0.250 436 T C 0.515 175.126 174.700 -0.149 0.000 1.074 436 T CA -0.582 61.407 62.100 -0.185 0.000 0.988 436 T CB -0.332 68.280 68.868 -0.427 0.000 0.988 436 T HN 0.174 nan 8.240 nan 0.000 0.530 437 L N 4.358 125.530 121.223 -0.084 0.000 2.615 437 L HA 0.141 4.508 4.340 0.045 0.000 0.284 437 L C 1.491 178.249 176.870 -0.186 0.000 1.237 437 L CA 0.883 55.631 54.840 -0.152 0.000 0.905 437 L CB 0.377 42.350 42.059 -0.143 0.000 1.149 437 L HN 0.495 nan 8.230 nan 0.000 0.499 438 T N -0.128 114.247 114.554 -0.298 0.000 3.037 438 T HA 0.038 4.415 4.350 0.045 0.000 0.251 438 T C 0.438 175.057 174.700 -0.135 0.000 1.079 438 T CA -0.383 61.548 62.100 -0.282 0.000 1.067 438 T CB -0.177 68.331 68.868 -0.599 0.000 0.948 438 T HN 0.409 nan 8.240 nan 0.000 0.496 439 W N 3.566 124.804 121.300 -0.104 0.000 2.150 439 W HA 0.370 5.056 4.660 0.044 0.000 0.341 439 W C -2.051 174.301 176.519 -0.278 0.000 1.276 439 W CA -2.253 54.985 57.345 -0.180 0.000 1.238 439 W CB 0.137 29.344 29.460 -0.422 0.000 1.128 439 W HN -0.039 nan 8.180 nan 0.000 0.581 440 P HA -0.017 nan 4.420 nan 0.000 0.272 440 P C 0.503 177.647 177.300 -0.259 0.000 1.230 440 P CA -0.060 62.937 63.100 -0.172 0.000 0.788 440 P CB 0.924 32.529 31.700 -0.159 0.000 0.949 441 L N 0.947 122.115 121.223 -0.093 0.000 2.129 441 L HA -0.152 4.215 4.340 0.045 0.000 0.212 441 L C 2.381 179.245 176.870 -0.009 0.000 1.087 441 L CA 1.810 56.627 54.840 -0.038 0.000 0.757 441 L CB -1.022 41.057 42.059 0.035 0.000 0.896 441 L HN 0.617 nan 8.230 nan 0.000 0.434 442 W N -2.105 119.222 121.300 0.044 0.000 2.595 442 W HA -0.081 4.605 4.660 0.043 0.000 0.257 442 W C 1.580 178.146 176.519 0.078 0.000 1.267 442 W CA 0.336 57.714 57.345 0.056 0.000 1.300 442 W CB -0.771 28.726 29.460 0.061 0.000 1.120 442 W HN 0.180 nan 8.180 nan 0.000 0.618 443 M N 1.369 120.613 119.600 -0.593 0.000 2.618 443 M HA 0.136 4.643 4.480 0.045 0.000 0.240 443 M C 1.989 178.195 176.300 -0.158 0.000 1.123 443 M CA 1.123 56.092 55.300 -0.552 0.000 1.060 443 M CB -0.693 31.370 32.600 -0.895 0.000 1.535 443 M HN 0.158 nan 8.290 nan 0.000 0.507 444 G N 1.301 110.059 108.800 -0.071 0.000 2.699 444 G HA2 -0.318 3.669 3.960 0.045 0.000 0.347 444 G HA3 -0.318 3.669 3.960 0.045 0.000 0.347 444 G C 0.151 175.060 174.900 0.015 0.000 1.225 444 G CA 0.426 45.529 45.100 0.005 0.000 0.973 444 G HN 0.317 nan 8.290 nan 0.000 0.551 445 V N 3.687 123.665 119.914 0.107 0.000 2.259 445 V HA 0.446 4.593 4.120 0.045 0.000 0.267 445 V C -1.892 174.362 176.094 0.267 0.000 1.051 445 V CA -0.957 61.471 62.300 0.212 0.000 0.830 445 V CB 1.169 33.178 31.823 0.309 0.000 1.080 445 V HN 0.450 nan 8.190 nan 0.000 0.467 446 P HA 0.162 nan 4.420 nan 0.000 0.274 446 P C -0.102 177.518 177.300 0.533 0.000 1.237 446 P CA -0.523 62.759 63.100 0.304 0.000 0.793 446 P CB 0.325 32.051 31.700 0.042 0.000 0.977 447 H N 1.139 120.442 119.070 0.387 0.000 3.237 447 H HA 0.123 4.706 4.556 0.044 0.000 0.263 447 H C 1.585 177.020 175.328 0.179 0.000 0.854 447 H CA 2.470 58.690 56.048 0.287 0.000 1.416 447 H CB -1.044 28.851 29.762 0.221 0.000 1.432 447 H HN 0.744 nan 8.280 nan 0.000 0.529 448 G N 3.514 112.261 108.800 -0.089 0.000 2.238 448 G HA2 -0.299 3.687 3.960 0.045 0.000 0.217 448 G HA3 -0.299 3.687 3.960 0.045 0.000 0.217 448 G C 0.628 175.550 174.900 0.036 0.000 0.996 448 G CA 0.194 45.226 45.100 -0.113 0.000 0.632 448 G HN 0.610 nan 8.290 nan 0.000 0.503 449 Y N 1.954 122.455 120.300 0.334 0.000 2.465 449 Y HA 0.221 4.798 4.550 0.045 0.000 0.311 449 Y C 2.365 178.420 175.900 0.259 0.000 1.204 449 Y CA 1.040 59.350 58.100 0.351 0.000 1.272 449 Y CB 0.342 39.035 38.460 0.389 0.000 1.083 449 Y HN 0.522 nan 8.280 nan 0.000 0.508 450 E N 0.110 120.288 120.200 -0.037 0.000 2.276 450 E HA -0.066 4.311 4.350 0.045 0.000 0.193 450 E C 1.704 178.185 176.600 -0.198 0.000 0.983 450 E CA 0.632 56.643 56.400 -0.648 0.000 0.861 450 E CB -0.492 28.338 29.700 -1.450 0.000 0.817 450 E HN 0.530 nan 8.360 nan 0.000 0.485 451 I N 3.078 123.621 120.570 -0.045 0.000 2.118 451 I HA -0.345 3.851 4.170 0.045 0.000 0.241 451 I C 2.734 178.817 176.117 -0.058 0.000 1.070 451 I CA 2.337 63.642 61.300 0.008 0.000 1.327 451 I CB -0.552 37.519 38.000 0.118 0.000 1.034 451 I HN 0.240 nan 8.210 nan 0.000 0.405 452 E N 0.894 121.001 120.200 -0.155 0.000 2.171 452 E HA -0.264 4.113 4.350 0.045 0.000 0.197 452 E C 2.027 178.335 176.600 -0.485 0.000 0.997 452 E CA 1.672 57.869 56.400 -0.339 0.000 0.810 452 E CB -0.579 28.896 29.700 -0.375 0.000 0.738 452 E HN 0.471 nan 8.360 nan 0.000 0.467 453 F N 1.053 120.862 119.950 -0.235 0.000 2.179 453 F HA -0.003 4.551 4.527 0.046 0.000 0.292 453 F C 2.339 177.885 175.800 -0.423 0.000 1.089 453 F CA 0.423 58.229 58.000 -0.323 0.000 1.295 453 F CB -0.146 38.755 39.000 -0.165 0.000 1.041 453 F HN -0.040 nan 8.300 nan 0.000 0.487 454 I N -0.665 119.725 120.570 -0.300 0.000 2.264 454 I HA -0.289 3.907 4.170 0.045 0.000 0.248 454 I C 2.124 177.997 176.117 -0.405 0.000 1.111 454 I CA 1.608 62.569 61.300 -0.565 0.000 1.382 454 I CB -1.530 36.006 38.000 -0.773 0.000 1.060 454 I HN 0.078 nan 8.210 nan 0.000 0.418 455 F N 0.849 120.597 119.950 -0.336 0.000 2.661 455 F HA 0.192 4.746 4.527 0.044 0.000 0.298 455 F C 1.933 177.581 175.800 -0.254 0.000 1.137 455 F CA 0.930 58.778 58.000 -0.253 0.000 1.454 455 F CB -0.226 38.600 39.000 -0.290 0.000 1.103 455 F HN 0.301 nan 8.300 nan 0.000 0.577 456 G N -0.252 108.372 108.800 -0.294 0.000 2.132 456 G HA2 -0.292 3.695 3.960 0.045 0.000 0.234 456 G HA3 -0.292 3.695 3.960 0.045 0.000 0.234 456 G C 0.993 175.255 174.900 -1.062 0.000 0.989 456 G CA 0.326 45.138 45.100 -0.480 0.000 0.676 456 G HN 0.279 nan 8.290 nan 0.000 0.522 457 L N 0.661 121.259 121.223 -1.042 0.000 2.043 457 L HA -0.000 4.367 4.340 0.045 0.000 0.212 457 L C 0.501 176.811 176.870 -0.933 0.000 1.075 457 L CA 2.894 57.055 54.840 -1.132 0.000 0.752 457 L CB -1.104 40.596 42.059 -0.598 0.000 0.891 457 L HN 0.217 nan 8.230 nan 0.000 0.432 458 P HA -0.175 nan 4.420 nan 0.000 0.220 458 P C 1.620 178.714 177.300 -0.344 0.000 1.144 458 P CA 0.969 63.558 63.100 -0.851 0.000 0.800 458 P CB 0.006 31.186 31.700 -0.867 0.000 0.772 459 L N -1.231 119.735 121.223 -0.429 0.000 2.362 459 L HA -0.055 4.312 4.340 0.045 0.000 0.219 459 L C 0.939 177.768 176.870 -0.068 0.000 1.134 459 L CA 1.192 55.913 54.840 -0.200 0.000 0.807 459 L CB -1.210 40.767 42.059 -0.136 0.000 0.927 459 L HN -0.046 nan 8.230 nan 0.000 0.447 460 D N 0.628 120.946 120.400 -0.136 0.000 2.374 460 D HA 0.079 4.745 4.640 0.045 0.000 0.240 460 D C -1.621 174.711 176.300 0.053 0.000 1.229 460 D CA -2.089 51.952 54.000 0.069 0.000 0.895 460 D CB 1.262 42.129 40.800 0.111 0.000 1.046 460 D HN 0.043 nan 8.370 nan 0.000 0.498 461 P HA -0.067 nan 4.420 nan 0.000 0.237 461 P C 1.021 178.339 177.300 0.029 0.000 1.178 461 P CA 0.402 63.528 63.100 0.043 0.000 0.766 461 P CB 0.098 31.818 31.700 0.033 0.000 0.876 462 S N -0.756 114.961 115.700 0.027 0.000 2.489 462 S HA 0.022 4.518 4.470 0.045 0.000 0.228 462 S C 1.769 176.355 174.600 -0.023 0.000 0.995 462 S CA 0.331 58.532 58.200 0.002 0.000 0.934 462 S CB -1.295 61.909 63.200 0.006 0.000 0.771 462 S HN 0.104 nan 8.310 nan 0.000 0.522 463 L N 1.113 122.332 121.223 -0.007 0.000 2.492 463 L HA 0.188 4.554 4.340 0.045 0.000 0.223 463 L C 0.305 177.051 176.870 -0.206 0.000 1.132 463 L CA 0.076 54.869 54.840 -0.078 0.000 0.850 463 L CB -0.655 41.422 42.059 0.030 0.000 0.966 463 L HN 0.325 nan 8.230 nan 0.000 0.454 464 N N -1.813 116.828 118.700 -0.098 0.000 2.818 464 N HA -0.220 4.547 4.740 0.045 0.000 0.250 464 N C -0.423 175.002 175.510 -0.142 0.000 1.108 464 N CA 0.594 53.577 53.050 -0.112 0.000 0.745 464 N CB -1.709 36.694 38.487 -0.140 0.000 1.104 464 N HN 0.277 nan 8.380 nan 0.000 0.557 465 Y N 1.704 121.986 120.300 -0.030 0.000 2.457 465 Y HA 0.074 4.650 4.550 0.044 0.000 0.341 465 Y C 1.996 177.921 175.900 0.041 0.000 1.240 465 Y CA 0.465 58.577 58.100 0.020 0.000 1.437 465 Y CB 0.373 38.832 38.460 -0.001 0.000 1.328 465 Y HN 0.076 nan 8.280 nan 0.000 0.588 466 T N -2.035 112.670 114.554 0.251 0.000 2.856 466 T HA -0.009 4.368 4.350 0.045 0.000 0.306 466 T C 1.238 176.021 174.700 0.139 0.000 1.062 466 T CA -0.143 62.052 62.100 0.158 0.000 1.083 466 T CB 0.733 69.688 68.868 0.145 0.000 0.984 466 T HN 0.763 nan 8.240 nan 0.000 0.542 467 T N 1.669 116.274 114.554 0.085 0.000 2.665 467 T HA -0.143 4.234 4.350 0.045 0.000 0.268 467 T C 1.827 176.564 174.700 0.061 0.000 1.035 467 T CA 2.102 64.239 62.100 0.061 0.000 1.151 467 T CB -0.530 68.361 68.868 0.039 0.000 0.862 467 T HN 0.796 nan 8.240 nan 0.000 0.438 468 E N 0.860 121.092 120.200 0.054 0.000 2.118 468 E HA -0.128 4.249 4.350 0.045 0.000 0.195 468 E C 2.238 178.870 176.600 0.054 0.000 0.992 468 E CA 1.141 57.556 56.400 0.025 0.000 0.804 468 E CB -0.132 29.559 29.700 -0.014 0.000 0.741 468 E HN 0.590 nan 8.360 nan 0.000 0.458 469 E N -0.209 120.069 120.200 0.130 0.000 2.216 469 E HA -0.091 4.286 4.350 0.045 0.000 0.192 469 E C 2.043 178.763 176.600 0.200 0.000 0.988 469 E CA 0.182 56.739 56.400 0.262 0.000 0.834 469 E CB 0.072 30.072 29.700 0.500 0.000 0.772 469 E HN 0.032 nan 8.360 nan 0.000 0.479 470 R N 1.248 121.805 120.500 0.095 0.000 2.066 470 R HA -0.114 4.253 4.340 0.045 0.000 0.232 470 R C 2.133 178.439 176.300 0.011 0.000 1.131 470 R CA 1.129 57.232 56.100 0.005 0.000 0.955 470 R CB -0.426 29.879 30.300 0.008 0.000 0.851 470 R HN 0.197 nan 8.270 nan 0.000 0.432 471 I N 0.533 121.129 120.570 0.043 0.000 2.264 471 I HA -0.292 3.905 4.170 0.045 0.000 0.248 471 I C 2.302 178.460 176.117 0.068 0.000 1.111 471 I CA 1.176 62.499 61.300 0.037 0.000 1.382 471 I CB -0.361 37.662 38.000 0.038 0.000 1.060 471 I HN 0.120 nan 8.210 nan 0.000 0.418 472 F N 1.745 121.650 119.950 -0.076 0.000 2.084 472 F HA -0.141 4.414 4.527 0.046 0.000 0.296 472 F C 2.477 178.257 175.800 -0.032 0.000 1.111 472 F CA 1.222 59.163 58.000 -0.098 0.000 1.224 472 F CB -0.727 38.135 39.000 -0.229 0.000 0.991 472 F HN 0.001 nan 8.300 nan 0.000 0.471 473 A N 0.117 122.861 122.820 -0.127 0.000 1.917 473 A HA -0.284 4.063 4.320 0.045 0.000 0.219 473 A C 2.174 179.621 177.584 -0.228 0.000 1.182 473 A CA 2.045 53.949 52.037 -0.223 0.000 0.633 473 A CB -1.020 17.861 19.000 -0.199 0.000 0.819 473 A HN 0.623 nan 8.150 nan 0.000 0.448 474 Q N -0.926 118.786 119.800 -0.146 0.000 2.061 474 Q HA -0.198 4.168 4.340 0.045 0.000 0.204 474 Q C 2.427 178.323 176.000 -0.173 0.000 0.984 474 Q CA 1.782 57.511 55.803 -0.125 0.000 0.846 474 Q CB -0.178 28.517 28.738 -0.071 0.000 0.902 474 Q HN 0.643 nan 8.270 nan 0.000 0.421 475 R N 0.101 120.483 120.500 -0.197 0.000 2.083 475 R HA -0.136 4.230 4.340 0.045 0.000 0.237 475 R C 2.298 178.308 176.300 -0.483 0.000 1.137 475 R CA 1.251 57.143 56.100 -0.347 0.000 0.951 475 R CB -0.314 29.877 30.300 -0.181 0.000 0.851 475 R HN 0.262 nan 8.270 nan 0.000 0.434 476 L N -0.139 120.899 121.223 -0.309 0.000 2.093 476 L HA -0.131 4.235 4.340 0.045 0.000 0.208 476 L C 2.454 179.305 176.870 -0.031 0.000 1.085 476 L CA 1.138 55.914 54.840 -0.107 0.000 0.755 476 L CB -0.289 41.516 42.059 -0.424 0.000 0.904 476 L HN 0.229 nan 8.230 nan 0.000 0.435 477 M N -0.763 118.746 119.600 -0.152 0.000 2.229 477 M HA -0.169 4.338 4.480 0.045 0.000 0.264 477 M C 2.267 178.574 176.300 0.012 0.000 1.063 477 M CA 1.491 56.740 55.300 -0.085 0.000 1.114 477 M CB -0.219 32.311 32.600 -0.118 0.000 1.387 477 M HN 0.058 nan 8.290 nan 0.000 0.420 478 K N -0.330 120.031 120.400 -0.065 0.000 2.097 478 K HA -0.133 4.214 4.320 0.045 0.000 0.205 478 K C 1.875 178.518 176.600 0.073 0.000 1.050 478 K CA 1.531 57.783 56.287 -0.058 0.000 0.938 478 K CB -0.194 32.204 32.500 -0.170 0.000 0.718 478 K HN 0.321 nan 8.250 nan 0.000 0.442 479 Y N -0.266 120.192 120.300 0.263 0.000 2.133 479 Y HA -0.195 4.382 4.550 0.045 0.000 0.287 479 Y C 2.405 178.438 175.900 0.223 0.000 1.134 479 Y CA 0.743 59.021 58.100 0.297 0.000 1.133 479 Y CB -0.809 38.002 38.460 0.585 0.000 0.987 479 Y HN 0.188 nan 8.280 nan 0.000 0.502 480 W N 0.632 122.024 121.300 0.153 0.000 2.355 480 W HA -0.241 4.445 4.660 0.044 0.000 0.309 480 W C 2.518 179.048 176.519 0.019 0.000 1.206 480 W CA 2.360 59.730 57.345 0.043 0.000 1.284 480 W CB -0.698 28.715 29.460 -0.077 0.000 1.145 480 W HN 0.251 nan 8.180 nan 0.000 0.502 481 T N -2.194 112.472 114.554 0.187 0.000 2.851 481 T HA -0.126 4.250 4.350 0.045 0.000 0.262 481 T C 1.491 176.215 174.700 0.041 0.000 1.043 481 T CA 1.177 63.312 62.100 0.059 0.000 1.140 481 T CB -0.672 68.208 68.868 0.020 0.000 0.872 481 T HN -0.114 nan 8.240 nan 0.000 0.446 482 N N 1.138 119.877 118.700 0.064 0.000 2.061 482 N HA -0.068 4.698 4.740 0.045 0.000 0.193 482 N C 1.381 176.878 175.510 -0.022 0.000 1.030 482 N CA 1.314 54.379 53.050 0.024 0.000 0.856 482 N CB -0.772 37.747 38.487 0.053 0.000 1.023 482 N HN 0.500 nan 8.380 nan 0.000 0.424 483 F N 1.470 121.324 119.950 -0.161 0.000 2.134 483 F HA -0.101 4.453 4.527 0.045 0.000 0.299 483 F C 2.160 177.868 175.800 -0.154 0.000 1.097 483 F CA 1.406 59.257 58.000 -0.249 0.000 1.264 483 F CB -0.457 38.306 39.000 -0.395 0.000 1.001 483 F HN 0.046 nan 8.300 nan 0.000 0.479 484 A N 0.340 123.095 122.820 -0.108 0.000 1.933 484 A HA -0.176 4.171 4.320 0.045 0.000 0.218 484 A C 2.375 179.846 177.584 -0.189 0.000 1.175 484 A CA 1.694 53.638 52.037 -0.155 0.000 0.628 484 A CB -0.682 18.289 19.000 -0.049 0.000 0.814 484 A HN 0.462 nan 8.150 nan 0.000 0.444 485 R N -1.372 119.040 120.500 -0.145 0.000 2.093 485 R HA -0.051 4.316 4.340 0.045 0.000 0.224 485 R C 1.858 178.068 176.300 -0.150 0.000 1.101 485 R CA 1.768 57.800 56.100 -0.113 0.000 0.979 485 R CB -0.021 30.238 30.300 -0.068 0.000 0.877 485 R HN 0.731 nan 8.270 nan 0.000 0.441 486 T N -6.221 108.213 114.554 -0.200 0.000 2.993 486 T HA 0.226 4.603 4.350 0.045 0.000 0.260 486 T C 1.146 175.703 174.700 -0.238 0.000 0.939 486 T CA 0.410 62.407 62.100 -0.172 0.000 0.886 486 T CB 1.352 70.153 68.868 -0.111 0.000 1.209 486 T HN 0.281 nan 8.240 nan 0.000 0.518 487 G N 1.381 109.908 108.800 -0.455 0.000 2.159 487 G HA2 -0.172 3.815 3.960 0.045 0.000 0.256 487 G HA3 -0.172 3.815 3.960 0.045 0.000 0.256 487 G C -0.357 174.372 174.900 -0.286 0.000 0.977 487 G CA 0.211 44.948 45.100 -0.606 0.000 0.652 487 G HN 0.780 nan 8.290 nan 0.000 0.531 488 D N -0.328 119.923 120.400 -0.249 0.000 2.620 488 D HA 0.477 5.144 4.640 0.045 0.000 0.252 488 D C -1.536 174.567 176.300 -0.327 0.000 1.207 488 D CA -1.790 52.020 54.000 -0.317 0.000 0.884 488 D CB 2.207 42.940 40.800 -0.110 0.000 1.262 488 D HN 0.023 nan 8.370 nan 0.000 0.552 489 P HA 0.006 nan 4.420 nan 0.000 0.245 489 P C 0.009 177.330 177.300 0.035 0.000 1.212 489 P CA -0.024 62.898 63.100 -0.296 0.000 0.774 489 P CB 0.414 31.612 31.700 -0.837 0.000 0.999 490 N N 1.380 120.059 118.700 -0.036 0.000 2.525 490 N HA 0.033 4.800 4.740 0.045 0.000 0.271 490 N C -0.032 175.546 175.510 0.113 0.000 1.194 490 N CA 0.222 53.358 53.050 0.144 0.000 0.964 490 N CB 0.575 39.136 38.487 0.123 0.000 1.126 490 N HN -0.012 nan 8.380 nan 0.000 0.452 491 D N 2.189 122.673 120.400 0.140 0.000 2.352 491 D HA 0.094 4.760 4.640 0.045 0.000 0.245 491 D C -1.453 174.886 176.300 0.064 0.000 1.224 491 D CA -1.512 52.537 54.000 0.081 0.000 0.879 491 D CB 1.077 41.918 40.800 0.068 0.000 1.057 491 D HN 0.299 nan 8.370 nan 0.000 0.491 492 P HA -0.058 nan 4.420 nan 0.000 0.242 492 P C 0.961 178.280 177.300 0.032 0.000 1.197 492 P CA 0.565 63.687 63.100 0.035 0.000 0.765 492 P CB 0.348 32.060 31.700 0.020 0.000 0.936 493 R N 0.040 120.559 120.500 0.032 0.000 2.103 493 R HA 0.055 4.422 4.340 0.045 0.000 0.212 493 R C 1.181 177.501 176.300 0.034 0.000 1.107 493 R CA 0.558 56.675 56.100 0.028 0.000 1.025 493 R CB -1.448 28.864 30.300 0.021 0.000 0.929 493 R HN 0.156 nan 8.270 nan 0.000 0.456 494 D N 0.713 121.138 120.400 0.042 0.000 2.458 494 D HA 0.041 4.708 4.640 0.045 0.000 0.243 494 D C 0.307 176.641 176.300 0.057 0.000 1.146 494 D CA 0.532 54.562 54.000 0.049 0.000 0.877 494 D CB 1.456 42.292 40.800 0.060 0.000 1.176 494 D HN 0.361 nan 8.370 nan 0.000 0.461 495 S N 2.979 118.710 115.700 0.051 0.000 2.118 495 S HA -0.001 4.496 4.470 0.045 0.000 0.175 495 S C 0.203 174.843 174.600 0.065 0.000 1.365 495 S CA -0.091 58.141 58.200 0.053 0.000 1.837 495 S CB 0.081 63.307 63.200 0.043 0.000 0.537 495 S HN 0.558 nan 8.310 nan 0.000 0.374 496 K N 0.861 121.296 120.400 0.059 0.000 2.453 496 K HA 0.125 4.472 4.320 0.045 0.000 0.280 496 K C -0.081 176.563 176.600 0.072 0.000 1.045 496 K CA 0.414 56.739 56.287 0.065 0.000 1.059 496 K CB 0.571 33.102 32.500 0.051 0.000 0.901 496 K HN 0.344 nan 8.250 nan 0.000 0.475 497 S N 2.838 118.594 115.700 0.094 0.000 2.619 497 S HA 0.158 4.655 4.470 0.045 0.000 0.238 497 S C -1.877 172.787 174.600 0.106 0.000 1.068 497 S CA -0.374 57.891 58.200 0.110 0.000 0.926 497 S CB -0.076 63.217 63.200 0.155 0.000 0.864 497 S HN 0.737 nan 8.310 nan 0.000 0.493 498 P HA 0.361 nan 4.420 nan 0.000 0.302 498 P C -0.797 176.588 177.300 0.143 0.000 1.307 498 P CA -0.382 62.776 63.100 0.097 0.000 0.754 498 P CB 0.450 32.190 31.700 0.066 0.000 1.298 499 Q N -0.953 118.936 119.800 0.149 0.000 2.299 499 Q HA 0.131 4.498 4.340 0.045 0.000 0.246 499 Q C -0.587 175.583 176.000 0.282 0.000 0.935 499 Q CA 0.015 55.947 55.803 0.215 0.000 0.887 499 Q CB 0.640 29.490 28.738 0.188 0.000 1.223 499 Q HN 0.534 nan 8.270 nan 0.000 0.439 500 W N 6.375 127.746 121.300 0.119 0.000 2.416 500 W HA 0.265 4.953 4.660 0.047 0.000 0.318 500 W C -2.469 174.206 176.519 0.259 0.000 1.150 500 W CA -2.431 54.995 57.345 0.136 0.000 1.392 500 W CB 0.273 29.766 29.460 0.055 0.000 1.311 500 W HN 0.389 nan 8.180 nan 0.000 0.436 501 P HA 0.263 nan 4.420 nan 0.000 0.277 501 P C -2.633 174.877 177.300 0.350 0.000 1.240 501 P CA -1.775 61.565 63.100 0.400 0.000 0.798 501 P CB 0.794 32.634 31.700 0.233 0.000 0.979 502 P HA 0.045 nan 4.420 nan 0.000 0.269 502 P C -0.573 176.704 177.300 -0.038 0.000 1.209 502 P CA 0.227 63.081 63.100 -0.410 0.000 0.776 502 P CB 0.016 31.479 31.700 -0.395 0.000 0.876 503 Y N 2.932 123.165 120.300 -0.113 0.000 2.377 503 Y HA 0.335 4.911 4.550 0.044 0.000 0.330 503 Y C 0.431 176.317 175.900 -0.024 0.000 1.108 503 Y CA 0.638 58.751 58.100 0.022 0.000 1.308 503 Y CB 0.277 38.775 38.460 0.062 0.000 1.216 503 Y HN 0.395 nan 8.280 nan 0.000 0.518 504 T N 0.169 114.483 114.554 -0.399 0.000 2.901 504 T HA 0.261 4.638 4.350 0.045 0.000 0.293 504 T C 0.875 175.341 174.700 -0.389 0.000 1.084 504 T CA -0.207 61.754 62.100 -0.233 0.000 1.008 504 T CB 1.291 70.078 68.868 -0.135 0.000 1.170 504 T HN 0.642 nan 8.240 nan 0.000 0.509 505 T N -0.512 113.962 114.554 -0.132 0.000 2.821 505 T HA 0.011 4.388 4.350 0.045 0.000 0.267 505 T C 2.270 176.911 174.700 -0.100 0.000 1.046 505 T CA 0.956 63.010 62.100 -0.077 0.000 1.139 505 T CB -0.855 68.029 68.868 0.027 0.000 0.871 505 T HN 0.867 nan 8.240 nan 0.000 0.454 506 A N 2.160 124.928 122.820 -0.085 0.000 1.835 506 A HA 0.345 4.692 4.320 0.045 0.000 0.215 506 A C 2.770 180.307 177.584 -0.079 0.000 1.199 506 A CA 1.968 53.969 52.037 -0.059 0.000 0.615 506 A CB -1.391 17.586 19.000 -0.039 0.000 0.838 506 A HN 0.720 nan 8.150 nan 0.000 0.444 507 A N -2.155 120.595 122.820 -0.116 0.000 2.030 507 A HA 0.178 4.524 4.320 0.045 0.000 0.215 507 A C 1.051 178.556 177.584 -0.132 0.000 1.164 507 A CA 1.031 53.013 52.037 -0.092 0.000 0.697 507 A CB -0.363 18.601 19.000 -0.061 0.000 0.827 507 A HN 0.652 nan 8.150 nan 0.000 0.457 508 Q N -0.531 119.057 119.800 -0.353 0.000 2.475 508 Q HA -0.231 4.136 4.340 0.045 0.000 0.280 508 Q C -0.730 175.242 176.000 -0.046 0.000 1.234 508 Q CA 0.733 56.216 55.803 -0.534 0.000 0.873 508 Q CB -2.086 26.569 28.738 -0.139 0.000 1.256 508 Q HN 0.844 nan 8.270 nan 0.000 0.475 509 Q N 0.536 120.320 119.800 -0.026 0.000 2.304 509 Q HA 0.413 4.780 4.340 0.045 0.000 0.260 509 Q C -0.341 175.944 176.000 0.476 0.000 0.965 509 Q CA 0.149 56.067 55.803 0.192 0.000 0.898 509 Q CB 0.406 29.207 28.738 0.105 0.000 1.196 509 Q HN 0.345 nan 8.270 nan 0.000 0.402 510 Y N -1.246 119.200 120.300 0.243 0.000 2.644 510 Y HA 0.734 5.310 4.550 0.043 0.000 0.338 510 Y C -1.028 174.893 175.900 0.033 0.000 1.119 510 Y CA -1.559 56.694 58.100 0.256 0.000 1.060 510 Y CB 0.508 39.127 38.460 0.264 0.000 1.294 510 Y HN 0.322 nan 8.280 nan 0.000 0.472 511 V N -0.584 119.217 119.914 -0.189 0.000 2.919 511 V HA 0.825 4.972 4.120 0.045 0.000 0.316 511 V C -0.279 175.673 176.094 -0.237 0.000 1.077 511 V CA -0.730 61.291 62.300 -0.467 0.000 0.977 511 V CB 1.311 32.554 31.823 -0.968 0.000 1.039 511 V HN 1.123 nan 8.190 nan 0.000 0.441 512 S N 3.300 118.871 115.700 -0.216 0.000 2.489 512 S HA 0.650 5.146 4.470 0.045 0.000 0.277 512 S C -0.361 174.178 174.600 -0.102 0.000 1.230 512 S CA -0.650 57.510 58.200 -0.067 0.000 1.053 512 S CB 0.447 63.604 63.200 -0.071 0.000 0.955 512 S HN 0.720 nan 8.310 nan 0.000 0.488 513 L N 4.463 125.683 121.223 -0.005 0.000 2.282 513 L HA 0.421 4.788 4.340 0.045 0.000 0.287 513 L C 0.012 176.783 176.870 -0.165 0.000 1.075 513 L CA -0.416 54.456 54.840 0.054 0.000 0.839 513 L CB -0.677 41.513 42.059 0.218 0.000 1.219 513 L HN 0.864 nan 8.230 nan 0.000 0.434 514 N N 2.269 120.788 118.700 -0.301 0.000 3.506 514 N HA 0.385 5.151 4.740 0.045 0.000 0.331 514 N C 0.316 175.202 175.510 -1.039 0.000 1.631 514 N CA -0.953 51.630 53.050 -0.779 0.000 0.786 514 N CB 0.643 38.879 38.487 -0.418 0.000 2.023 514 N HN 0.137 nan 8.380 nan 0.000 0.621 515 L N -0.738 119.944 121.223 -0.902 0.000 2.156 515 L HA 0.136 4.503 4.340 0.045 0.000 0.208 515 L C 0.513 177.192 176.870 -0.318 0.000 1.095 515 L CA 0.798 55.223 54.840 -0.693 0.000 0.770 515 L CB -0.463 41.301 42.059 -0.492 0.000 0.914 515 L HN 0.380 nan 8.230 nan 0.000 0.439 516 K N 0.634 120.891 120.400 -0.239 0.000 2.319 516 K HA 0.139 4.486 4.320 0.045 0.000 0.265 516 K C -2.152 174.396 176.600 -0.087 0.000 1.000 516 K CA -1.722 54.488 56.287 -0.128 0.000 0.943 516 K CB -0.235 32.202 32.500 -0.105 0.000 0.950 516 K HN -0.173 nan 8.250 nan 0.000 0.485 517 P HA -0.084 nan 4.420 nan 0.000 0.269 517 P C -0.288 177.011 177.300 -0.003 0.000 1.211 517 P CA 0.024 63.133 63.100 0.014 0.000 0.781 517 P CB 0.358 32.069 31.700 0.019 0.000 0.877 518 L N 1.146 122.387 121.223 0.030 0.000 2.615 518 L HA -0.081 4.286 4.340 0.045 0.000 0.284 518 L C 1.158 177.983 176.870 -0.075 0.000 1.237 518 L CA 0.871 55.678 54.840 -0.055 0.000 0.905 518 L CB -0.291 41.733 42.059 -0.058 0.000 1.149 518 L HN 0.475 nan 8.230 nan 0.000 0.499 519 E N 3.160 123.284 120.200 -0.126 0.000 2.176 519 E HA 0.360 4.737 4.350 0.045 0.000 0.267 519 E C -1.265 175.222 176.600 -0.188 0.000 0.893 519 E CA -0.817 55.511 56.400 -0.121 0.000 0.761 519 E CB 1.786 31.421 29.700 -0.108 0.000 1.133 519 E HN 0.305 nan 8.360 nan 0.000 0.409 520 V N 5.311 125.136 119.914 -0.148 0.000 2.488 520 V HA 0.322 4.469 4.120 0.045 0.000 0.277 520 V C 0.350 176.306 176.094 -0.230 0.000 1.046 520 V CA -0.028 62.166 62.300 -0.176 0.000 0.986 520 V CB 0.719 32.504 31.823 -0.063 0.000 0.989 520 V HN 0.688 nan 8.190 nan 0.000 0.475 521 R N 3.978 124.211 120.500 -0.444 0.000 2.892 521 R HA 0.745 5.112 4.340 0.045 0.000 0.265 521 R C -0.729 175.414 176.300 -0.262 0.000 1.025 521 R CA -1.000 54.836 56.100 -0.440 0.000 0.982 521 R CB 2.301 32.179 30.300 -0.703 0.000 1.185 521 R HN 0.588 nan 8.270 nan 0.000 0.484 522 R N 0.051 120.572 120.500 0.036 0.000 2.534 522 R HA 0.497 4.864 4.340 0.045 0.000 0.301 522 R C -0.849 175.662 176.300 0.352 0.000 0.961 522 R CA -0.527 55.692 56.100 0.198 0.000 0.871 522 R CB 2.179 32.533 30.300 0.089 0.000 1.170 522 R HN 0.890 nan 8.270 nan 0.000 0.446 523 G N 2.576 111.622 108.800 0.410 0.000 3.269 523 G HA2 -0.191 3.796 3.960 0.045 0.000 0.668 523 G HA3 -0.191 3.796 3.960 0.045 0.000 0.668 523 G C -1.142 173.910 174.900 0.254 0.000 1.100 523 G CA -0.943 44.326 45.100 0.282 0.000 0.940 523 G HN 0.392 nan 8.290 nan 0.000 0.438 524 L N 3.983 125.234 121.223 0.046 0.000 2.385 524 L HA 0.517 4.884 4.340 0.045 0.000 0.285 524 L C 1.638 178.507 176.870 -0.001 0.000 1.125 524 L CA -0.170 54.529 54.840 -0.235 0.000 0.890 524 L CB -0.374 41.482 42.059 -0.339 0.000 1.251 524 L HN 0.662 nan 8.230 nan 0.000 0.445 525 R N 3.293 123.837 120.500 0.072 0.000 3.184 525 R HA -0.310 4.057 4.340 0.045 0.000 0.242 525 R C 1.415 177.815 176.300 0.167 0.000 0.907 525 R CA 0.506 56.696 56.100 0.150 0.000 0.618 525 R CB -1.724 28.686 30.300 0.183 0.000 1.016 525 R HN 0.823 nan 8.270 nan 0.000 0.469 526 A N 0.793 123.705 122.820 0.153 0.000 1.873 526 A HA -0.272 4.075 4.320 0.045 0.000 0.218 526 A C 2.045 179.724 177.584 0.159 0.000 1.193 526 A CA 1.359 53.486 52.037 0.150 0.000 0.629 526 A CB -0.133 18.949 19.000 0.136 0.000 0.826 526 A HN 0.429 nan 8.150 nan 0.000 0.447 527 Q N -0.752 119.141 119.800 0.155 0.000 2.084 527 Q HA -0.110 4.257 4.340 0.045 0.000 0.202 527 Q C 2.240 178.365 176.000 0.208 0.000 0.978 527 Q CA 2.077 57.974 55.803 0.158 0.000 0.844 527 Q CB -1.188 27.631 28.738 0.135 0.000 0.898 527 Q HN 0.663 nan 8.270 nan 0.000 0.426 528 T N 0.358 115.068 114.554 0.259 0.000 2.857 528 T HA -0.093 4.284 4.350 0.045 0.000 0.266 528 T C 1.998 176.949 174.700 0.418 0.000 1.048 528 T CA 1.044 63.342 62.100 0.331 0.000 1.139 528 T CB -0.192 68.929 68.868 0.422 0.000 0.874 528 T HN 0.315 nan 8.240 nan 0.000 0.455 529 c N 1.501 120.318 118.600 0.361 0.000 2.446 529 c HA 0.265 4.862 4.570 0.045 0.000 0.279 529 c C 3.128 177.384 174.090 0.276 0.000 1.366 529 c CA 0.012 56.558 56.329 0.361 0.000 1.763 529 c CB -1.322 41.327 42.510 0.231 0.000 1.929 529 c HN 0.636 nan 8.230 nan 0.000 0.509 530 A N 0.511 123.457 122.820 0.209 0.000 1.902 530 A HA -0.209 4.138 4.320 0.045 0.000 0.217 530 A C 1.884 179.558 177.584 0.150 0.000 1.181 530 A CA 1.747 53.879 52.037 0.157 0.000 0.623 530 A CB -0.876 18.203 19.000 0.132 0.000 0.818 530 A HN 0.537 nan 8.150 nan 0.000 0.443 531 F N -0.769 119.160 119.950 -0.034 0.000 2.065 531 F HA -0.240 4.316 4.527 0.048 0.000 0.298 531 F C 1.993 177.732 175.800 -0.102 0.000 1.112 531 F CA 2.025 59.916 58.000 -0.182 0.000 1.212 531 F CB -0.619 37.983 39.000 -0.662 0.000 0.975 531 F HN 0.392 nan 8.300 nan 0.000 0.476 532 W N 0.331 121.591 121.300 -0.067 0.000 2.418 532 W HA -0.110 4.576 4.660 0.043 0.000 0.292 532 W C 2.128 178.582 176.519 -0.109 0.000 1.213 532 W CA 0.983 58.249 57.345 -0.132 0.000 1.283 532 W CB -0.395 29.133 29.460 0.113 0.000 1.119 532 W HN -0.019 nan 8.180 nan 0.000 0.542 533 N N -0.741 118.075 118.700 0.194 0.000 2.388 533 N HA 0.060 4.827 4.740 0.045 0.000 0.176 533 N C 1.421 176.959 175.510 0.047 0.000 1.062 533 N CA 0.773 53.890 53.050 0.113 0.000 0.895 533 N CB -0.088 38.466 38.487 0.112 0.000 1.018 533 N HN 0.198 nan 8.380 nan 0.000 0.456 534 R N -1.536 118.989 120.500 0.042 0.000 2.276 534 R HA 0.251 4.618 4.340 0.045 0.000 0.195 534 R C 1.145 177.461 176.300 0.028 0.000 0.908 534 R CA 0.026 56.151 56.100 0.041 0.000 1.083 534 R CB 0.076 30.424 30.300 0.080 0.000 1.182 534 R HN 0.045 nan 8.270 nan 0.000 0.608 535 F N 1.079 120.923 119.950 -0.176 0.000 2.243 535 F HA 0.130 4.685 4.527 0.046 0.000 0.287 535 F C 1.860 177.473 175.800 -0.311 0.000 1.067 535 F CA 0.633 58.503 58.000 -0.215 0.000 1.304 535 F CB -0.195 38.686 39.000 -0.199 0.000 1.087 535 F HN -0.171 nan 8.300 nan 0.000 0.513 536 L N 1.209 122.080 121.223 -0.586 0.000 2.013 536 L HA -0.174 4.193 4.340 0.045 0.000 0.212 536 L C -0.513 176.092 176.870 -0.441 0.000 1.073 536 L CA 2.383 56.822 54.840 -0.668 0.000 0.753 536 L CB -2.084 39.552 42.059 -0.705 0.000 0.890 536 L HN 0.091 nan 8.230 nan 0.000 0.432 537 P HA -0.204 nan 4.420 nan 0.000 0.216 537 P C 1.405 178.566 177.300 -0.232 0.000 1.150 537 P CA 1.603 64.589 63.100 -0.190 0.000 0.843 537 P CB -0.038 31.594 31.700 -0.113 0.000 0.787 538 K N -1.205 119.009 120.400 -0.310 0.000 2.148 538 K HA -0.093 4.253 4.320 0.045 0.000 0.204 538 K C 1.873 178.250 176.600 -0.373 0.000 1.050 538 K CA 0.877 56.985 56.287 -0.299 0.000 0.942 538 K CB -0.722 31.612 32.500 -0.277 0.000 0.724 538 K HN 0.106 nan 8.250 nan 0.000 0.446 539 L N 1.150 122.029 121.223 -0.573 0.000 2.217 539 L HA -0.047 4.320 4.340 0.045 0.000 0.211 539 L C 1.717 178.431 176.870 -0.259 0.000 1.107 539 L CA 1.310 55.864 54.840 -0.476 0.000 0.783 539 L CB -0.090 41.596 42.059 -0.622 0.000 0.919 539 L HN 0.076 nan 8.230 nan 0.000 0.442 540 L N -2.034 119.052 121.223 -0.229 0.000 2.127 540 L HA -0.007 4.359 4.340 0.045 0.000 0.203 540 L C 2.159 178.958 176.870 -0.118 0.000 1.080 540 L CA 0.646 55.401 54.840 -0.143 0.000 0.768 540 L CB -0.683 41.306 42.059 -0.117 0.000 0.924 540 L HN -0.001 nan 8.230 nan 0.000 0.444 541 S N -0.190 115.432 115.700 -0.130 0.000 2.626 541 S HA 0.017 4.514 4.470 0.045 0.000 0.245 541 S C 1.148 175.694 174.600 -0.090 0.000 0.973 541 S CA 0.929 59.069 58.200 -0.100 0.000 0.959 541 S CB -0.192 62.949 63.200 -0.099 0.000 0.762 541 S HN 0.481 nan 8.310 nan 0.000 0.539 542 A N -0.599 122.161 122.820 -0.099 0.000 2.665 542 A HA 0.490 4.837 4.320 0.045 0.000 0.268 542 A C 0.465 178.009 177.584 -0.067 0.000 1.044 542 A CA -0.080 51.911 52.037 -0.076 0.000 0.993 542 A CB 0.061 19.015 19.000 -0.077 0.000 1.229 542 A HN 0.263 nan 8.150 nan 0.000 0.576 543 T N 0.000 114.510 114.554 -0.073 0.000 3.816 543 T HA 0.000 4.377 4.350 0.045 0.000 0.228 543 T CA 0.000 62.064 62.100 -0.060 0.000 1.349 543 T CB 0.000 68.842 68.868 -0.043 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658