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 1mah_1_A 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 0.000 176.596 176.600 -0.007 0.000 1.382 4 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 4 E CB 0.000 29.687 29.700 -0.022 0.000 0.812 5 D N 2.907 123.304 120.400 -0.004 0.000 2.950 5 D HA 0.184 4.824 4.640 -0.000 0.000 0.212 5 D C -2.623 173.688 176.300 0.018 0.000 1.398 5 D CA -0.533 53.472 54.000 0.008 0.000 1.198 5 D CB 0.665 41.470 40.800 0.008 0.000 1.369 5 D HN 0.325 nan 8.370 nan 0.000 0.624 6 P HA 0.507 nan 4.420 nan 0.000 0.349 6 P C -0.944 176.398 177.300 0.070 0.000 1.009 6 P CA -0.286 62.847 63.100 0.055 0.000 0.716 6 P CB 0.986 32.723 31.700 0.062 0.000 1.426 7 Q N -0.036 119.832 119.800 0.112 0.000 2.923 7 Q HA 0.435 4.775 4.340 -0.000 0.000 0.363 7 Q C -0.502 175.597 176.000 0.165 0.000 1.159 7 Q CA 0.146 56.016 55.803 0.112 0.000 1.073 7 Q CB -1.163 27.622 28.738 0.078 0.000 1.364 7 Q HN 0.334 nan 8.270 nan 0.000 0.466 8 L N 0.597 121.892 121.223 0.121 0.000 3.267 8 L HA 0.343 4.683 4.340 -0.000 0.000 0.289 8 L C -0.476 176.482 176.870 0.146 0.000 1.260 8 L CA -0.271 54.620 54.840 0.085 0.000 1.034 8 L CB 0.617 42.609 42.059 -0.112 0.000 1.413 8 L HN 0.222 nan 8.230 nan 0.000 0.594 9 L N 1.677 122.994 121.223 0.156 0.000 2.307 9 L HA 0.651 4.991 4.340 -0.000 0.000 0.284 9 L C -0.625 176.325 176.870 0.135 0.000 1.023 9 L CA -0.271 54.655 54.840 0.142 0.000 0.810 9 L CB 1.983 44.091 42.059 0.080 0.000 1.231 9 L HN -0.213 nan 8.230 nan 0.000 0.423 10 V N 4.340 124.337 119.914 0.139 0.000 2.888 10 V HA 0.490 4.609 4.120 -0.000 0.000 0.309 10 V C -0.421 175.683 176.094 0.016 0.000 1.114 10 V CA -1.016 61.278 62.300 -0.011 0.000 0.940 10 V CB 2.560 34.245 31.823 -0.230 0.000 1.021 10 V HN 0.756 nan 8.190 nan 0.000 0.426 11 R N 2.789 123.256 120.500 -0.055 0.000 2.312 11 R HA 0.777 5.117 4.340 -0.000 0.000 0.311 11 R C -1.398 174.860 176.300 -0.071 0.000 1.004 11 R CA -0.147 55.929 56.100 -0.039 0.000 0.902 11 R CB 1.449 31.709 30.300 -0.068 0.000 1.073 11 R HN 0.502 nan 8.270 nan 0.000 0.457 12 V N 4.027 123.934 119.914 -0.012 0.000 2.960 12 V HA 0.451 4.571 4.120 -0.000 0.000 0.315 12 V C 1.355 177.399 176.094 -0.083 0.000 1.087 12 V CA -0.120 62.171 62.300 -0.016 0.000 0.982 12 V CB 1.680 33.642 31.823 0.233 0.000 1.039 12 V HN 0.922 nan 8.190 nan 0.000 0.437 13 R N 1.842 122.274 120.500 -0.112 0.000 2.407 13 R HA -0.100 4.240 4.340 -0.000 0.000 0.241 13 R C 1.378 177.589 176.300 -0.149 0.000 1.180 13 R CA 1.917 57.948 56.100 -0.115 0.000 1.048 13 R CB -1.393 28.850 30.300 -0.095 0.000 0.847 13 R HN 1.138 nan 8.270 nan 0.000 0.488 14 G N -2.989 105.666 108.800 -0.242 0.000 3.104 14 G HA2 0.488 4.448 3.960 -0.000 0.000 0.237 14 G HA3 0.488 4.448 3.960 -0.000 0.000 0.237 14 G C 0.627 174.622 174.900 -1.510 0.000 1.035 14 G CA 0.778 45.517 45.100 -0.603 0.000 0.844 14 G HN 1.273 nan 8.290 nan 0.000 0.531 15 G N -0.698 107.403 108.800 -1.165 0.000 2.343 15 G HA2 0.343 4.303 3.960 -0.000 0.000 0.289 15 G HA3 0.343 4.303 3.960 -0.000 0.000 0.289 15 G C -1.632 173.161 174.900 -0.178 0.000 1.295 15 G CA -0.900 43.533 45.100 -1.112 0.000 0.869 15 G HN 0.208 nan 8.290 nan 0.000 0.522 16 Q N -0.824 119.052 119.800 0.127 0.000 2.226 16 Q HA 0.740 5.080 4.340 -0.000 0.000 0.256 16 Q C -1.139 175.149 176.000 0.480 0.000 0.962 16 Q CA -0.583 55.378 55.803 0.264 0.000 0.887 16 Q CB 2.226 31.048 28.738 0.140 0.000 1.282 16 Q HN 0.367 nan 8.270 nan 0.000 0.449 17 L N 1.259 122.703 121.223 0.368 0.000 2.422 17 L HA 0.497 4.837 4.340 -0.000 0.000 0.264 17 L C -0.764 176.265 176.870 0.265 0.000 0.984 17 L CA -0.655 54.392 54.840 0.346 0.000 0.819 17 L CB 1.976 44.300 42.059 0.441 0.000 1.330 17 L HN 0.561 nan 8.230 nan 0.000 0.410 18 R N 0.953 121.544 120.500 0.152 0.000 2.288 18 R HA 0.802 5.142 4.340 -0.000 0.000 0.326 18 R C 0.026 176.270 176.300 -0.093 0.000 0.959 18 R CA -0.505 55.624 56.100 0.048 0.000 0.834 18 R CB 1.186 31.494 30.300 0.013 0.000 1.157 18 R HN 0.676 nan 8.270 nan 0.000 0.470 19 G N 2.980 111.586 108.800 -0.322 0.000 2.489 19 G HA2 0.374 4.334 3.960 -0.000 0.000 0.271 19 G HA3 0.374 4.334 3.960 -0.000 0.000 0.271 19 G C -0.629 173.967 174.900 -0.507 0.000 1.427 19 G CA -0.824 43.812 45.100 -0.774 0.000 1.057 19 G HN 0.691 nan 8.290 nan 0.000 0.532 20 I N -1.503 118.740 120.570 -0.545 0.000 2.752 20 I HA 0.485 4.655 4.170 -0.000 0.000 0.295 20 I C -0.614 175.307 176.117 -0.326 0.000 1.219 20 I CA -1.059 60.029 61.300 -0.354 0.000 1.030 20 I CB 2.245 40.065 38.000 -0.300 0.000 1.259 20 I HN 0.468 nan 8.210 nan 0.000 0.423 21 R N 6.505 126.836 120.500 -0.282 0.000 2.220 21 R HA 0.465 4.804 4.340 -0.000 0.000 0.340 21 R C -1.686 174.475 176.300 -0.233 0.000 1.076 21 R CA -0.513 55.402 56.100 -0.309 0.000 0.920 21 R CB 0.415 30.447 30.300 -0.447 0.000 1.062 21 R HN 0.507 nan 8.270 nan 0.000 0.469 22 L N 5.020 126.141 121.223 -0.170 0.000 2.289 22 L HA 0.302 4.642 4.340 -0.000 0.000 0.285 22 L C -0.384 176.427 176.870 -0.098 0.000 1.049 22 L CA -0.287 54.485 54.840 -0.113 0.000 0.804 22 L CB 1.514 43.542 42.059 -0.051 0.000 1.195 22 L HN 0.489 nan 8.230 nan 0.000 0.428 23 K N 2.724 123.067 120.400 -0.094 0.000 2.262 23 K HA 0.758 5.077 4.320 -0.000 0.000 0.282 23 K C -0.257 176.293 176.600 -0.084 0.000 1.066 23 K CA -0.383 55.856 56.287 -0.080 0.000 0.901 23 K CB 1.004 33.463 32.500 -0.068 0.000 1.089 23 K HN 0.494 nan 8.250 nan 0.000 0.476 24 A N 4.075 126.842 122.820 -0.088 0.000 2.272 24 A HA 0.390 4.710 4.320 -0.000 0.000 0.275 24 A C -1.243 176.316 177.584 -0.041 0.000 1.096 24 A CA -1.538 50.416 52.037 -0.140 0.000 0.822 24 A CB -0.133 18.784 19.000 -0.138 0.000 1.088 24 A HN 0.757 nan 8.150 nan 0.000 0.495 25 P HA -0.097 nan 4.420 nan 0.000 0.220 25 P C 1.013 178.347 177.300 0.057 0.000 1.148 25 P CA 1.900 65.043 63.100 0.072 0.000 0.803 25 P CB 0.056 31.849 31.700 0.156 0.000 0.782 26 G N -1.421 107.412 108.800 0.055 0.000 3.233 26 G HA2 0.483 4.443 3.960 -0.000 0.000 0.234 26 G HA3 0.483 4.443 3.960 -0.000 0.000 0.234 26 G C 0.495 175.421 174.900 0.043 0.000 1.137 26 G CA 0.363 45.494 45.100 0.052 0.000 0.763 26 G HN 0.655 nan 8.290 nan 0.000 0.549 27 G N -0.681 108.137 108.800 0.031 0.000 2.361 27 G HA2 0.245 4.205 3.960 -0.000 0.000 0.331 27 G HA3 0.245 4.205 3.960 -0.000 0.000 0.331 27 G C -3.336 171.582 174.900 0.030 0.000 1.324 27 G CA -1.022 44.102 45.100 0.039 0.000 0.984 27 G HN 0.030 nan 8.290 nan 0.000 0.586 28 P HA 0.434 nan 4.420 nan 0.000 0.268 28 P C -0.328 177.019 177.300 0.078 0.000 1.208 28 P CA -0.148 62.951 63.100 -0.002 0.000 0.777 28 P CB 1.089 32.781 31.700 -0.012 0.000 0.875 29 V N 1.808 121.733 119.914 0.019 0.000 2.925 29 V HA 0.317 4.437 4.120 -0.000 0.000 0.311 29 V C -0.406 175.745 176.094 0.095 0.000 1.104 29 V CA -0.522 61.852 62.300 0.123 0.000 0.954 29 V CB 2.507 34.410 31.823 0.133 0.000 1.022 29 V HN 0.350 nan 8.190 nan 0.000 0.427 30 S N 2.961 118.799 115.700 0.229 0.000 2.461 30 S HA 0.739 5.209 4.470 -0.000 0.000 0.322 30 S C -0.023 174.693 174.600 0.194 0.000 1.063 30 S CA -0.352 57.976 58.200 0.213 0.000 1.120 30 S CB 1.168 64.650 63.200 0.469 0.000 0.968 30 S HN 1.028 nan 8.310 nan 0.000 0.467 31 A N 2.956 125.694 122.820 -0.136 0.000 2.318 31 A HA 0.803 5.123 4.320 -0.000 0.000 0.324 31 A C -0.875 176.461 177.584 -0.415 0.000 1.170 31 A CA -0.576 51.236 52.037 -0.374 0.000 0.810 31 A CB 0.248 18.897 19.000 -0.586 0.000 1.198 31 A HN 0.663 nan 8.150 nan 0.000 0.484 32 F N 3.197 122.931 119.950 -0.359 0.000 2.389 32 F HA 0.338 4.865 4.527 -0.000 0.000 0.327 32 F C -0.479 175.145 175.800 -0.293 0.000 1.204 32 F CA -0.860 57.030 58.000 -0.183 0.000 1.209 32 F CB 0.657 39.709 39.000 0.088 0.000 1.460 32 F HN 0.253 nan 8.300 nan 0.000 0.537 33 L N 1.484 122.511 121.223 -0.326 0.000 2.367 33 L HA 0.545 4.884 4.340 -0.000 0.000 0.275 33 L C 1.214 177.958 176.870 -0.209 0.000 1.129 33 L CA 0.131 54.737 54.840 -0.390 0.000 0.839 33 L CB 0.335 41.909 42.059 -0.808 0.000 1.133 33 L HN 0.745 nan 8.230 nan 0.000 0.453 34 G N 2.917 111.667 108.800 -0.084 0.000 2.201 34 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.212 34 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.212 34 G C 0.349 175.227 174.900 -0.036 0.000 0.994 34 G CA -0.319 44.715 45.100 -0.110 0.000 0.644 34 G HN 0.497 nan 8.290 nan 0.000 0.508 35 I N 3.886 124.473 120.570 0.029 0.000 2.907 35 I HA 0.133 4.303 4.170 -0.000 0.000 0.285 35 I C -1.345 174.852 176.117 0.133 0.000 1.189 35 I CA -0.947 60.380 61.300 0.044 0.000 1.376 35 I CB 0.159 38.162 38.000 0.005 0.000 1.420 35 I HN 0.028 nan 8.210 nan 0.000 0.544 36 P HA 0.005 nan 4.420 nan 0.000 0.271 36 P C -0.303 176.999 177.300 0.002 0.000 1.216 36 P CA 0.071 63.227 63.100 0.092 0.000 0.771 36 P CB 0.602 32.346 31.700 0.073 0.000 0.864 37 F N 0.711 120.567 119.950 -0.158 0.000 2.775 37 F HA 0.782 5.309 4.527 -0.000 0.000 0.313 37 F C -0.220 175.575 175.800 -0.009 0.000 1.121 37 F CA -1.009 56.947 58.000 -0.074 0.000 1.206 37 F CB 0.162 39.019 39.000 -0.239 0.000 1.052 37 F HN 0.423 nan 8.300 nan 0.000 0.524 38 A N -0.253 122.423 122.820 -0.239 0.000 2.590 38 A HA 0.499 4.819 4.320 -0.000 0.000 0.294 38 A C -1.115 176.346 177.584 -0.205 0.000 1.046 38 A CA -0.870 51.069 52.037 -0.163 0.000 0.684 38 A CB 0.765 19.632 19.000 -0.221 0.000 1.279 38 A HN 0.060 nan 8.150 nan 0.000 0.415 39 E N 1.314 121.457 120.200 -0.096 0.000 2.415 39 E HA 0.236 4.585 4.350 -0.000 0.000 0.263 39 E C -2.317 174.195 176.600 -0.146 0.000 0.995 39 E CA -1.283 55.066 56.400 -0.086 0.000 0.915 39 E CB -0.020 29.661 29.700 -0.032 0.000 0.951 39 E HN 0.261 nan 8.360 nan 0.000 0.449 40 P HA -0.027 nan 4.420 nan 0.000 0.255 40 P C -2.132 175.088 177.300 -0.135 0.000 1.173 40 P CA -0.512 62.487 63.100 -0.168 0.000 0.780 40 P CB -0.059 31.576 31.700 -0.108 0.000 0.758 41 P HA -0.005 nan 4.420 nan 0.000 0.225 41 P C -0.077 177.140 177.300 -0.138 0.000 1.768 41 P CA 0.148 63.174 63.100 -0.124 0.000 0.943 41 P CB -0.115 31.512 31.700 -0.121 0.000 1.936 42 V N -2.605 117.234 119.914 -0.125 0.000 3.369 42 V HA 0.874 4.994 4.120 -0.000 0.000 0.301 42 V C 1.178 177.207 176.094 -0.107 0.000 1.184 42 V CA 0.047 62.267 62.300 -0.134 0.000 1.013 42 V CB 0.313 32.065 31.823 -0.120 0.000 1.230 42 V HN 0.503 nan 8.190 nan 0.000 0.464 43 G N 1.234 109.973 108.800 -0.102 0.000 2.634 43 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.309 43 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.309 43 G C 0.911 175.768 174.900 -0.072 0.000 1.265 43 G CA 1.510 46.565 45.100 -0.075 0.000 0.998 43 G HN 2.386 nan 8.290 nan 0.000 0.551 44 S N 0.347 116.020 115.700 -0.046 0.000 2.840 44 S HA 0.524 4.994 4.470 -0.000 0.000 0.235 44 S C 1.636 176.221 174.600 -0.026 0.000 0.968 44 S CA 1.383 59.566 58.200 -0.028 0.000 1.026 44 S CB 0.206 63.400 63.200 -0.010 0.000 0.788 44 S HN 1.745 nan 8.310 nan 0.000 0.487 45 R N 1.027 121.497 120.500 -0.050 0.000 2.476 45 R HA 0.400 4.740 4.340 -0.000 0.000 0.276 45 R C 0.715 176.976 176.300 -0.065 0.000 0.941 45 R CA -0.195 55.880 56.100 -0.043 0.000 1.088 45 R CB -0.434 29.837 30.300 -0.048 0.000 1.216 45 R HN 0.555 nan 8.270 nan 0.000 0.533 46 R N -0.081 120.344 120.500 -0.124 0.000 2.539 46 R HA 0.264 4.604 4.340 -0.000 0.000 0.275 46 R C -0.517 175.689 176.300 -0.157 0.000 1.077 46 R CA 0.125 56.073 56.100 -0.253 0.000 1.097 46 R CB 0.022 30.046 30.300 -0.461 0.000 1.018 46 R HN 0.327 nan 8.270 nan 0.000 0.483 47 F N -1.034 118.922 119.950 0.010 0.000 2.825 47 F HA -0.278 4.248 4.527 -0.000 0.000 0.358 47 F C -0.061 175.724 175.800 -0.026 0.000 0.639 47 F CA 0.579 58.562 58.000 -0.028 0.000 1.153 47 F CB -1.422 37.552 39.000 -0.043 0.000 1.610 47 F HN 0.429 nan 8.300 nan 0.000 0.305 48 M N 1.159 120.834 119.600 0.125 0.000 2.471 48 M HA 0.440 4.920 4.480 -0.000 0.000 0.309 48 M C -1.888 174.441 176.300 0.048 0.000 1.186 48 M CA -2.051 53.293 55.300 0.073 0.000 1.008 48 M CB 0.582 33.209 32.600 0.044 0.000 1.551 48 M HN -0.276 nan 8.290 nan 0.000 0.477 49 P HA 0.249 nan 4.420 nan 0.000 0.274 49 P C -2.621 174.698 177.300 0.031 0.000 1.237 49 P CA -0.925 62.199 63.100 0.039 0.000 0.793 49 P CB -0.671 31.052 31.700 0.039 0.000 0.977 50 P HA 0.145 nan 4.420 nan 0.000 0.270 50 P C -0.482 176.841 177.300 0.039 0.000 1.223 50 P CA 0.455 63.575 63.100 0.033 0.000 0.785 50 P CB 0.473 32.220 31.700 0.078 0.000 0.923 51 E N 1.589 121.805 120.200 0.025 0.000 2.272 51 E HA 0.479 4.829 4.350 -0.000 0.000 0.269 51 E C -2.636 173.995 176.600 0.053 0.000 0.877 51 E CA -2.896 53.526 56.400 0.037 0.000 0.755 51 E CB 1.134 30.845 29.700 0.019 0.000 1.192 51 E HN 0.199 nan 8.360 nan 0.000 0.422 52 P HA 0.057 nan 4.420 nan 0.000 0.270 52 P C -1.142 176.230 177.300 0.119 0.000 1.227 52 P CA -0.312 62.869 63.100 0.135 0.000 0.788 52 P CB 0.426 32.218 31.700 0.154 0.000 0.926 53 K N 2.366 122.868 120.400 0.170 0.000 2.349 53 K HA 0.115 4.435 4.320 -0.000 0.000 0.289 53 K C 0.023 176.764 176.600 0.234 0.000 1.064 53 K CA 0.107 56.502 56.287 0.180 0.000 0.947 53 K CB -0.015 32.624 32.500 0.232 0.000 1.007 53 K HN 0.242 nan 8.250 nan 0.000 0.478 54 R N 5.012 125.620 120.500 0.181 0.000 2.623 54 R HA 0.101 4.441 4.340 -0.000 0.000 0.271 54 R C -1.994 174.460 176.300 0.257 0.000 1.043 54 R CA -1.524 54.676 56.100 0.166 0.000 1.083 54 R CB -0.177 30.192 30.300 0.116 0.000 0.974 54 R HN 0.530 nan 8.270 nan 0.000 0.436 55 P HA -0.074 nan 4.420 nan 0.000 0.267 55 P C -1.047 176.359 177.300 0.178 0.000 1.200 55 P CA -0.013 63.128 63.100 0.067 0.000 0.772 55 P CB 0.308 31.936 31.700 -0.121 0.000 0.855 56 W N 1.033 122.374 121.300 0.068 0.000 2.576 56 W HA 0.692 5.352 4.660 -0.000 0.000 0.360 56 W C -0.629 175.919 176.519 0.049 0.000 1.109 56 W CA -0.882 56.498 57.345 0.058 0.000 1.237 56 W CB 0.210 29.712 29.460 0.070 0.000 1.369 56 W HN 0.362 nan 8.180 nan 0.000 0.609 57 S N 1.116 116.940 115.700 0.206 0.000 2.608 57 S HA 0.849 5.319 4.470 -0.000 0.000 0.291 57 S C 0.399 175.108 174.600 0.182 0.000 1.146 57 S CA -0.120 58.133 58.200 0.087 0.000 1.043 57 S CB 0.980 64.223 63.200 0.072 0.000 1.037 57 S HN 2.015 nan 8.310 nan 0.000 0.520 58 G N 0.000 108.864 108.800 0.106 0.000 2.598 58 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.244 58 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.244 58 G C -0.507 174.524 174.900 0.218 0.000 1.302 58 G CA -0.256 44.924 45.100 0.133 0.000 0.903 58 G HN 1.689 nan 8.290 nan 0.000 0.575 59 V N 1.290 121.322 119.914 0.196 0.000 2.394 59 V HA 0.610 4.730 4.120 -0.000 0.000 0.282 59 V C 0.625 176.845 176.094 0.211 0.000 1.031 59 V CA -0.963 61.473 62.300 0.226 0.000 0.881 59 V CB 1.270 33.174 31.823 0.134 0.000 0.982 59 V HN 0.813 nan 8.190 nan 0.000 0.451 60 L N 5.332 126.706 121.223 0.251 0.000 2.290 60 L HA 0.399 4.738 4.340 -0.000 0.000 0.284 60 L C 0.132 177.006 176.870 0.006 0.000 1.078 60 L CA -0.021 54.822 54.840 0.006 0.000 0.815 60 L CB 1.354 43.233 42.059 -0.300 0.000 1.162 60 L HN 0.796 nan 8.230 nan 0.000 0.435 61 D N 3.852 124.223 120.400 -0.047 0.000 2.414 61 D HA 0.332 4.972 4.640 -0.000 0.000 0.242 61 D C 0.081 176.329 176.300 -0.085 0.000 1.129 61 D CA 0.309 54.272 54.000 -0.061 0.000 0.885 61 D CB 1.209 41.960 40.800 -0.082 0.000 1.198 61 D HN 0.618 nan 8.370 nan 0.000 0.437 62 A N 2.256 125.022 122.820 -0.091 0.000 2.709 62 A HA 0.176 4.496 4.320 -0.000 0.000 0.241 62 A C 0.815 178.278 177.584 -0.202 0.000 0.879 62 A CA -0.003 51.970 52.037 -0.106 0.000 1.120 62 A CB -0.453 18.564 19.000 0.028 0.000 1.226 62 A HN 0.546 nan 8.150 nan 0.000 0.468 63 T N -3.233 111.193 114.554 -0.213 0.000 3.129 63 T HA 0.341 4.691 4.350 -0.000 0.000 0.251 63 T C 0.609 175.121 174.700 -0.313 0.000 1.117 63 T CA 0.859 62.804 62.100 -0.259 0.000 1.034 63 T CB 0.082 68.830 68.868 -0.200 0.000 0.968 63 T HN 0.466 nan 8.240 nan 0.000 0.526 64 T N -0.087 114.267 114.554 -0.333 0.000 2.739 64 T HA 0.530 4.879 4.350 -0.000 0.000 0.303 64 T C -1.797 172.670 174.700 -0.389 0.000 1.389 64 T CA -0.910 60.945 62.100 -0.408 0.000 1.001 64 T CB 0.614 69.334 68.868 -0.246 0.000 1.436 64 T HN 0.028 nan 8.240 nan 0.000 0.500 65 F N 2.513 122.388 119.950 -0.125 0.000 2.471 65 F HA 0.437 4.964 4.527 -0.000 0.000 0.353 65 F C 1.352 177.050 175.800 -0.169 0.000 1.113 65 F CA -0.309 57.621 58.000 -0.116 0.000 1.262 65 F CB 0.615 39.578 39.000 -0.061 0.000 1.146 65 F HN 0.386 nan 8.300 nan 0.000 0.578 66 Q N 1.380 121.182 119.800 0.003 0.000 2.315 66 Q HA 0.244 4.584 4.340 -0.000 0.000 0.166 66 Q C 0.060 176.014 176.000 -0.077 0.000 1.056 66 Q CA -0.492 55.172 55.803 -0.232 0.000 1.061 66 Q CB 0.234 28.531 28.738 -0.735 0.000 1.981 66 Q HN 0.664 nan 8.270 nan 0.000 0.530 67 N N -1.258 117.401 118.700 -0.068 0.000 2.263 67 N HA 0.172 4.912 4.740 -0.000 0.000 0.239 67 N C -0.895 174.625 175.510 0.018 0.000 1.317 67 N CA -0.266 52.787 53.050 0.006 0.000 0.909 67 N CB 0.490 39.011 38.487 0.057 0.000 1.171 67 N HN 0.071 nan 8.380 nan 0.000 0.492 68 V N 0.983 120.884 119.914 -0.022 0.000 2.487 68 V HA 0.181 4.301 4.120 -0.000 0.000 0.298 68 V C -0.285 175.778 176.094 -0.051 0.000 1.028 68 V CA -0.834 61.426 62.300 -0.066 0.000 0.860 68 V CB 1.305 33.056 31.823 -0.120 0.000 0.991 68 V HN 0.841 nan 8.190 nan 0.000 0.427 69 c N 4.986 123.560 118.600 -0.043 0.000 2.465 69 c HA 0.025 4.595 4.570 -0.000 0.000 0.402 69 c C 0.624 174.704 174.090 -0.017 0.000 1.448 69 c CA -0.376 55.936 56.329 -0.028 0.000 1.589 69 c CB -1.362 41.145 42.510 -0.004 0.000 2.535 69 c HN 0.733 nan 8.230 nan 0.000 0.600 70 Y N 4.224 124.422 120.300 -0.171 0.000 2.987 70 Y HA 0.148 4.698 4.550 -0.000 0.000 0.339 70 Y C 0.834 176.762 175.900 0.048 0.000 1.272 70 Y CA 1.426 59.446 58.100 -0.133 0.000 1.562 70 Y CB 0.260 38.496 38.460 -0.372 0.000 1.253 70 Y HN 0.817 nan 8.280 nan 0.000 0.604 71 Q N 3.410 123.165 119.800 -0.075 0.000 2.832 71 Q HA 0.265 4.605 4.340 -0.000 0.000 0.322 71 Q C -2.036 174.071 176.000 0.178 0.000 0.842 71 Q CA -1.205 54.701 55.803 0.172 0.000 0.780 71 Q CB 1.465 30.289 28.738 0.143 0.000 1.411 71 Q HN 0.609 nan 8.270 nan 0.000 0.490 72 Y N 0.888 121.330 120.300 0.236 0.000 2.310 72 Y HA 0.580 5.130 4.550 -0.000 0.000 0.326 72 Y C -1.160 174.885 175.900 0.241 0.000 1.151 72 Y CA -0.570 57.697 58.100 0.277 0.000 1.195 72 Y CB 1.620 40.353 38.460 0.456 0.000 1.210 72 Y HN 0.441 nan 8.280 nan 0.000 0.483 73 V N 5.727 125.281 119.914 -0.600 0.000 2.398 73 V HA 0.173 4.293 4.120 -0.000 0.000 0.286 73 V C -0.543 175.048 176.094 -0.838 0.000 1.026 73 V CA -0.948 61.072 62.300 -0.467 0.000 0.868 73 V CB 1.217 32.878 31.823 -0.271 0.000 0.982 73 V HN 0.761 nan 8.190 nan 0.000 0.443 74 D N 3.501 123.745 120.400 -0.259 0.000 2.348 74 D HA 0.254 4.894 4.640 -0.000 0.000 0.253 74 D C 0.926 177.241 176.300 0.025 0.000 1.161 74 D CA 0.205 54.239 54.000 0.056 0.000 0.876 74 D CB 1.553 42.602 40.800 0.415 0.000 1.160 74 D HN 0.781 nan 8.370 nan 0.000 0.459 75 T N 1.560 116.127 114.554 0.021 0.000 3.252 75 T HA 0.050 4.400 4.350 -0.000 0.000 0.286 75 T C 1.524 176.221 174.700 -0.004 0.000 1.013 75 T CA -0.477 61.630 62.100 0.012 0.000 0.914 75 T CB -0.229 68.624 68.868 -0.024 0.000 1.131 75 T HN 0.234 nan 8.240 nan 0.000 0.529 76 L N 0.933 122.149 121.223 -0.012 0.000 2.013 76 L HA 0.140 4.480 4.340 -0.000 0.000 0.212 76 L C -0.288 176.284 176.870 -0.498 0.000 1.073 76 L CA 1.706 56.377 54.840 -0.281 0.000 0.753 76 L CB -0.492 41.353 42.059 -0.358 0.000 0.890 76 L HN 0.482 nan 8.230 nan 0.000 0.432 77 Y N -0.159 120.194 120.300 0.088 0.000 2.686 77 Y HA 0.430 4.980 4.550 -0.000 0.000 0.331 77 Y C -2.164 173.788 175.900 0.087 0.000 0.996 77 Y CA -3.516 54.624 58.100 0.067 0.000 1.293 77 Y CB 0.141 38.663 38.460 0.104 0.000 1.092 77 Y HN 0.054 nan 8.280 nan 0.000 0.524 78 P HA 0.123 nan 4.420 nan 0.000 0.262 78 P C 0.957 178.321 177.300 0.106 0.000 1.199 78 P CA 1.364 64.521 63.100 0.095 0.000 0.763 78 P CB 0.737 32.467 31.700 0.050 0.000 0.790 79 G N 3.002 111.846 108.800 0.074 0.000 2.205 79 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.261 79 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.261 79 G C 0.060 175.000 174.900 0.067 0.000 0.980 79 G CA -0.397 44.730 45.100 0.045 0.000 0.632 79 G HN 0.533 nan 8.290 nan 0.000 0.533 80 F N 2.907 122.820 119.950 -0.061 0.000 2.466 80 F HA 0.510 5.037 4.527 -0.000 0.000 0.363 80 F C 1.476 177.167 175.800 -0.181 0.000 1.109 80 F CA -0.712 57.194 58.000 -0.156 0.000 1.161 80 F CB 0.887 39.764 39.000 -0.205 0.000 1.117 80 F HN 0.151 nan 8.300 nan 0.000 0.539 81 E N 4.584 124.415 120.200 -0.615 0.000 2.068 81 E HA -0.245 4.104 4.350 -0.000 0.000 0.207 81 E C 2.119 178.239 176.600 -0.799 0.000 1.032 81 E CA 1.946 57.977 56.400 -0.615 0.000 0.839 81 E CB -0.635 28.767 29.700 -0.497 0.000 0.758 81 E HN 0.912 nan 8.360 nan 0.000 0.457 82 G N -0.200 107.709 108.800 -1.485 0.000 2.529 82 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.219 82 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.219 82 G C 1.741 176.570 174.900 -0.118 0.000 1.177 82 G CA 1.999 46.488 45.100 -1.018 0.000 0.773 82 G HN 0.394 nan 8.290 nan 0.000 0.573 83 T N 0.610 115.063 114.554 -0.169 0.000 2.732 83 T HA -0.010 4.340 4.350 -0.000 0.000 0.261 83 T C 2.197 177.090 174.700 0.321 0.000 1.040 83 T CA 1.358 63.740 62.100 0.469 0.000 1.145 83 T CB -0.213 69.005 68.868 0.583 0.000 0.866 83 T HN 0.421 nan 8.240 nan 0.000 0.427 84 E N 1.543 121.772 120.200 0.048 0.000 2.204 84 E HA -0.115 4.234 4.350 -0.000 0.000 0.195 84 E C 2.206 178.700 176.600 -0.178 0.000 0.990 84 E CA 0.972 57.354 56.400 -0.030 0.000 0.821 84 E CB -0.366 29.293 29.700 -0.070 0.000 0.750 84 E HN 0.648 nan 8.360 nan 0.000 0.477 85 M N -1.404 117.965 119.600 -0.385 0.000 2.521 85 M HA -0.135 4.344 4.480 -0.000 0.000 0.260 85 M C 0.892 176.723 176.300 -0.782 0.000 1.068 85 M CA 1.488 56.401 55.300 -0.645 0.000 1.060 85 M CB -0.486 31.596 32.600 -0.863 0.000 1.398 85 M HN 0.061 nan 8.290 nan 0.000 0.473 86 W N 0.740 121.963 121.300 -0.127 0.000 3.107 86 W HA 0.285 4.945 4.660 -0.000 0.000 0.293 86 W C 0.323 176.762 176.519 -0.134 0.000 1.239 86 W CA -0.950 56.309 57.345 -0.142 0.000 1.653 86 W CB -0.191 29.232 29.460 -0.062 0.000 1.068 86 W HN 0.092 nan 8.180 nan 0.000 0.615 87 N N 3.030 121.748 118.700 0.031 0.000 2.479 87 N HA 0.067 4.807 4.740 -0.000 0.000 0.257 87 N C -2.065 173.386 175.510 -0.098 0.000 1.232 87 N CA -1.011 52.028 53.050 -0.019 0.000 0.920 87 N CB -0.220 38.242 38.487 -0.041 0.000 1.105 87 N HN -0.179 nan 8.380 nan 0.000 0.444 88 P HA 0.046 nan 4.420 nan 0.000 0.269 88 P C -0.225 176.987 177.300 -0.146 0.000 1.215 88 P CA -0.108 62.904 63.100 -0.147 0.000 0.780 88 P CB 0.466 32.082 31.700 -0.140 0.000 0.898 89 N N 1.577 120.178 118.700 -0.164 0.000 2.480 89 N HA 0.152 4.892 4.740 -0.000 0.000 0.281 89 N C -0.078 175.366 175.510 -0.111 0.000 1.381 89 N CA -0.401 52.564 53.050 -0.141 0.000 0.903 89 N CB 0.381 38.767 38.487 -0.168 0.000 1.274 89 N HN 0.207 nan 8.380 nan 0.000 0.505 90 R N -0.115 120.323 120.500 -0.103 0.000 2.716 90 R HA 0.282 4.622 4.340 -0.000 0.000 0.271 90 R C -0.666 175.590 176.300 -0.073 0.000 1.028 90 R CA -0.519 55.537 56.100 -0.073 0.000 0.883 90 R CB 1.196 31.458 30.300 -0.063 0.000 1.250 90 R HN 0.261 nan 8.270 nan 0.000 0.465 91 E N 1.386 121.554 120.200 -0.054 0.000 2.415 91 E HA 0.086 4.436 4.350 -0.000 0.000 0.262 91 E C -0.147 176.423 176.600 -0.049 0.000 1.038 91 E CA 0.104 56.475 56.400 -0.048 0.000 0.921 91 E CB 0.595 30.279 29.700 -0.028 0.000 0.950 91 E HN 0.195 nan 8.360 nan 0.000 0.438 92 L N 2.199 123.385 121.223 -0.062 0.000 2.326 92 L HA 0.293 4.632 4.340 -0.000 0.000 0.278 92 L C 0.304 177.225 176.870 0.085 0.000 1.092 92 L CA 0.016 54.812 54.840 -0.072 0.000 0.810 92 L CB 1.096 42.959 42.059 -0.327 0.000 1.153 92 L HN 0.426 nan 8.230 nan 0.000 0.439 93 S N 1.076 116.837 115.700 0.101 0.000 2.552 93 S HA 0.214 4.683 4.470 -0.000 0.000 0.272 93 S C 0.140 174.725 174.600 -0.025 0.000 1.150 93 S CA -0.701 57.542 58.200 0.072 0.000 0.849 93 S CB 1.493 64.709 63.200 0.027 0.000 1.113 93 S HN 0.742 nan 8.310 nan 0.000 0.458 94 E N 0.974 121.087 120.200 -0.145 0.000 2.274 94 E HA -0.054 4.296 4.350 -0.000 0.000 0.194 94 E C -0.267 176.237 176.600 -0.160 0.000 0.996 94 E CA 0.567 56.818 56.400 -0.248 0.000 0.840 94 E CB 0.007 29.490 29.700 -0.361 0.000 0.772 94 E HN 0.626 nan 8.360 nan 0.000 0.491 95 D N 0.492 120.835 120.400 -0.095 0.000 2.498 95 D HA -0.023 4.617 4.640 -0.000 0.000 0.229 95 D C 0.333 176.660 176.300 0.045 0.000 1.188 95 D CA -0.174 53.792 54.000 -0.057 0.000 1.028 95 D CB -0.224 40.576 40.800 0.001 0.000 1.087 95 D HN 0.154 nan 8.370 nan 0.000 0.510 96 c N 1.845 120.404 118.600 -0.068 0.000 3.785 96 c HA 0.366 4.936 4.570 -0.000 0.000 0.312 96 c C 0.696 174.707 174.090 -0.132 0.000 1.566 96 c CA -0.693 55.665 56.329 0.049 0.000 1.837 96 c CB -1.228 41.290 42.510 0.013 0.000 2.826 96 c HN 0.380 nan 8.230 nan 0.000 0.667 97 L N 2.672 123.551 121.223 -0.574 0.000 2.462 97 L HA 0.371 4.711 4.340 -0.000 0.000 0.283 97 L C -1.096 174.962 176.870 -1.353 0.000 1.166 97 L CA 0.663 55.012 54.840 -0.817 0.000 0.964 97 L CB -0.758 40.776 42.059 -0.875 0.000 1.294 97 L HN 0.370 nan 8.230 nan 0.000 0.449 98 Y N 2.570 122.719 120.300 -0.253 0.000 2.513 98 Y HA 0.528 5.078 4.550 -0.000 0.000 0.340 98 Y C -0.183 175.943 175.900 0.377 0.000 1.055 98 Y CA -1.326 56.764 58.100 -0.017 0.000 1.020 98 Y CB 1.816 40.255 38.460 -0.036 0.000 1.301 98 Y HN 0.287 nan 8.280 nan 0.000 0.453 99 L N 0.395 121.918 121.223 0.501 0.000 2.334 99 L HA 0.803 5.143 4.340 -0.000 0.000 0.270 99 L C -0.840 176.070 176.870 0.066 0.000 1.018 99 L CA -0.778 54.168 54.840 0.176 0.000 0.811 99 L CB 1.234 43.128 42.059 -0.275 0.000 1.271 99 L HN 0.453 nan 8.230 nan 0.000 0.443 100 N N 0.436 119.204 118.700 0.114 0.000 2.402 100 N HA 0.793 5.532 4.740 -0.000 0.000 0.294 100 N C -1.264 174.264 175.510 0.031 0.000 1.203 100 N CA -0.493 52.588 53.050 0.052 0.000 0.838 100 N CB 2.468 41.044 38.487 0.149 0.000 1.306 100 N HN 0.527 nan 8.380 nan 0.000 0.510 101 V N 0.225 120.089 119.914 -0.084 0.000 2.925 101 V HA 0.513 4.633 4.120 -0.000 0.000 0.311 101 V C -1.144 174.977 176.094 0.045 0.000 1.104 101 V CA -0.800 61.482 62.300 -0.029 0.000 0.954 101 V CB 2.934 34.486 31.823 -0.451 0.000 1.022 101 V HN 0.543 nan 8.190 nan 0.000 0.427 102 W N 2.026 123.386 121.300 0.099 0.000 2.883 102 W HA 0.681 5.341 4.660 -0.000 0.000 0.335 102 W C -0.434 176.181 176.519 0.159 0.000 1.083 102 W CA -0.412 57.036 57.345 0.173 0.000 1.233 102 W CB 2.563 32.109 29.460 0.143 0.000 1.412 102 W HN 0.712 nan 8.180 nan 0.000 0.490 103 T N 0.518 115.341 114.554 0.449 0.000 2.900 103 T HA 0.517 4.867 4.350 -0.000 0.000 0.303 103 T C -2.759 172.136 174.700 0.326 0.000 1.142 103 T CA -1.966 60.342 62.100 0.346 0.000 1.007 103 T CB 2.544 71.630 68.868 0.363 0.000 1.156 103 T HN 0.069 nan 8.240 nan 0.000 0.490 104 P HA 0.183 nan 4.420 nan 0.000 0.274 104 P C -1.378 176.075 177.300 0.255 0.000 1.237 104 P CA -0.376 62.853 63.100 0.215 0.000 0.793 104 P CB 0.485 32.271 31.700 0.143 0.000 0.977 105 Y N 3.493 123.852 120.300 0.099 0.000 2.385 105 Y HA 0.394 4.943 4.550 -0.000 0.000 0.341 105 Y C -1.905 174.032 175.900 0.061 0.000 0.965 105 Y CA -2.185 55.965 58.100 0.082 0.000 1.180 105 Y CB 0.509 39.004 38.460 0.059 0.000 1.139 105 Y HN 0.292 nan 8.280 nan 0.000 0.502 106 P HA 0.338 nan 4.420 nan 0.000 0.285 106 P C -1.274 175.999 177.300 -0.045 0.000 1.269 106 P CA -0.902 61.999 63.100 -0.333 0.000 0.844 106 P CB 1.365 32.804 31.700 -0.436 0.000 1.094 107 R N 1.895 122.422 120.500 0.046 0.000 2.480 107 R HA 0.183 4.523 4.340 -0.000 0.000 0.303 107 R C -1.798 174.521 176.300 0.033 0.000 0.985 107 R CA -1.108 55.045 56.100 0.089 0.000 1.051 107 R CB -1.045 29.333 30.300 0.130 0.000 0.935 107 R HN 0.361 nan 8.270 nan 0.000 0.410 108 P HA -0.010 nan 4.420 nan 0.000 0.269 108 P C -0.092 177.215 177.300 0.011 0.000 1.215 108 P CA -0.073 63.037 63.100 0.017 0.000 0.780 108 P CB 1.189 32.904 31.700 0.026 0.000 0.898 109 A N 2.322 125.142 122.820 -0.001 0.000 1.970 109 A HA 0.022 4.341 4.320 -0.000 0.000 0.216 109 A C 1.053 178.636 177.584 -0.002 0.000 1.170 109 A CA 0.596 52.630 52.037 -0.005 0.000 0.645 109 A CB -0.860 18.134 19.000 -0.011 0.000 0.816 109 A HN 0.639 nan 8.150 nan 0.000 0.447 110 S N 1.933 117.634 115.700 0.001 0.000 2.510 110 S HA 0.405 4.875 4.470 -0.000 0.000 0.279 110 S C -2.668 171.936 174.600 0.007 0.000 1.284 110 S CA -1.014 57.186 58.200 0.001 0.000 1.059 110 S CB 0.443 63.643 63.200 0.001 0.000 0.901 110 S HN 0.156 nan 8.310 nan 0.000 0.491 111 P HA 0.187 nan 4.420 nan 0.000 0.265 111 P C -0.411 176.893 177.300 0.005 0.000 1.193 111 P CA 0.198 63.302 63.100 0.006 0.000 0.765 111 P CB 0.465 32.163 31.700 -0.005 0.000 0.823 112 T N 4.939 119.503 114.554 0.017 0.000 2.885 112 T HA 0.451 4.801 4.350 -0.000 0.000 0.285 112 T C -2.541 172.163 174.700 0.006 0.000 1.019 112 T CA -1.807 60.302 62.100 0.015 0.000 1.010 112 T CB 1.261 70.151 68.868 0.037 0.000 1.022 112 T HN 0.253 nan 8.240 nan 0.000 0.466 113 P HA 0.152 nan 4.420 nan 0.000 0.267 113 P C -0.813 176.492 177.300 0.008 0.000 1.205 113 P CA -0.171 62.915 63.100 -0.024 0.000 0.765 113 P CB 0.429 32.104 31.700 -0.041 0.000 0.828 114 V N 4.902 124.827 119.914 0.019 0.000 2.481 114 V HA 0.249 4.369 4.120 -0.000 0.000 0.286 114 V C 0.449 176.599 176.094 0.092 0.000 1.042 114 V CA -0.525 61.815 62.300 0.065 0.000 0.928 114 V CB 1.073 32.944 31.823 0.080 0.000 0.986 114 V HN 0.331 nan 8.190 nan 0.000 0.462 115 L N 5.977 127.278 121.223 0.131 0.000 2.318 115 L HA 0.537 4.877 4.340 -0.000 0.000 0.277 115 L C -0.273 176.841 176.870 0.406 0.000 1.008 115 L CA 0.165 55.132 54.840 0.210 0.000 0.846 115 L CB 1.269 43.351 42.059 0.039 0.000 1.220 115 L HN 0.480 nan 8.230 nan 0.000 0.423 116 I N 2.937 123.752 120.570 0.408 0.000 2.315 116 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 116 I C -0.594 175.723 176.117 0.334 0.000 1.006 116 I CA -0.386 61.107 61.300 0.322 0.000 1.265 116 I CB 0.966 39.059 38.000 0.155 0.000 1.387 116 I HN 0.649 nan 8.210 nan 0.000 0.475 117 W N 8.752 130.048 121.300 -0.005 0.000 2.376 117 W HA 0.527 5.187 4.660 -0.000 0.000 0.312 117 W C -1.557 174.802 176.519 -0.266 0.000 1.060 117 W CA -0.780 56.292 57.345 -0.455 0.000 1.221 117 W CB 1.098 30.304 29.460 -0.424 0.000 1.281 117 W HN 0.351 nan 8.180 nan 0.000 0.456 118 I N 8.827 128.771 120.570 -1.044 0.000 2.315 118 I HA 0.066 4.236 4.170 -0.000 0.000 0.291 118 I C 0.046 175.366 176.117 -1.327 0.000 1.006 118 I CA -1.064 59.716 61.300 -0.866 0.000 1.265 118 I CB 0.643 38.313 38.000 -0.549 0.000 1.387 118 I HN 0.324 nan 8.210 nan 0.000 0.475 119 Y N 4.811 124.671 120.300 -0.733 0.000 2.457 119 Y HA 0.602 5.152 4.550 -0.000 0.000 0.341 119 Y C 0.685 176.404 175.900 -0.301 0.000 1.240 119 Y CA -0.901 56.859 58.100 -0.566 0.000 1.437 119 Y CB -0.013 38.382 38.460 -0.108 0.000 1.328 119 Y HN 0.529 nan 8.280 nan 0.000 0.588 120 G N -0.656 108.102 108.800 -0.069 0.000 2.511 120 G HA2 0.516 4.476 3.960 -0.000 0.000 0.316 120 G HA3 0.516 4.476 3.960 -0.000 0.000 0.316 120 G C 0.119 174.979 174.900 -0.066 0.000 1.210 120 G CA -0.881 44.126 45.100 -0.155 0.000 0.969 120 G HN 1.585 nan 8.290 nan 0.000 0.492 121 G N -2.162 106.454 108.800 -0.306 0.000 3.829 121 G HA2 0.451 4.411 3.960 -0.000 0.000 0.226 121 G HA3 0.451 4.411 3.960 -0.000 0.000 0.226 121 G C 0.855 175.302 174.900 -0.755 0.000 1.243 121 G CA 0.678 45.513 45.100 -0.443 0.000 1.211 121 G HN 2.138 nan 8.290 nan 0.000 0.641 122 G N 0.215 108.523 108.800 -0.819 0.000 2.361 122 G HA2 -0.137 3.822 3.960 -0.000 0.000 0.294 122 G HA3 -0.137 3.822 3.960 -0.000 0.000 0.294 122 G C 0.893 175.423 174.900 -0.616 0.000 1.004 122 G CA 0.738 45.136 45.100 -1.170 0.000 0.870 122 G HN 1.609 nan 8.290 nan 0.000 0.510 123 F N -3.251 116.610 119.950 -0.149 0.000 3.048 123 F HA -0.295 4.232 4.527 -0.000 0.000 0.287 123 F C 1.325 177.271 175.800 0.242 0.000 0.796 123 F CA 1.919 59.983 58.000 0.106 0.000 1.111 123 F CB -2.258 36.736 39.000 -0.010 0.000 1.320 123 F HN 1.008 nan 8.300 nan 0.000 0.430 124 Y N -1.687 118.728 120.300 0.192 0.000 2.666 124 Y HA 0.640 5.190 4.550 -0.000 0.000 0.260 124 Y C 0.373 176.403 175.900 0.216 0.000 1.089 124 Y CA 0.010 58.234 58.100 0.207 0.000 1.246 124 Y CB -0.024 38.486 38.460 0.082 0.000 1.353 124 Y HN 0.131 nan 8.280 nan 0.000 0.558 125 S N -0.655 114.923 115.700 -0.204 0.000 2.672 125 S HA 0.897 5.367 4.470 -0.000 0.000 0.271 125 S C -0.219 174.317 174.600 -0.108 0.000 1.171 125 S CA -0.499 57.614 58.200 -0.145 0.000 0.817 125 S CB 1.456 64.490 63.200 -0.278 0.000 1.150 125 S HN 1.474 nan 8.310 nan 0.000 0.478 126 G N -0.743 107.960 108.800 -0.162 0.000 2.428 126 G HA2 0.572 4.532 3.960 -0.000 0.000 0.681 126 G HA3 0.572 4.532 3.960 -0.000 0.000 0.681 126 G C -0.714 173.671 174.900 -0.858 0.000 1.340 126 G CA -0.236 44.669 45.100 -0.326 0.000 0.915 126 G HN 2.308 nan 8.290 nan 0.000 0.645 127 A N -0.838 121.366 122.820 -1.026 0.000 2.560 127 A HA 0.946 5.266 4.320 -0.000 0.000 0.300 127 A C 0.585 177.967 177.584 -0.337 0.000 1.062 127 A CA 0.779 52.324 52.037 -0.821 0.000 0.767 127 A CB 0.730 19.477 19.000 -0.422 0.000 1.288 127 A HN 2.590 nan 8.150 nan 0.000 0.396 128 A N 0.856 123.609 122.820 -0.112 0.000 2.119 128 A HA 0.151 4.471 4.320 -0.000 0.000 0.217 128 A C 1.858 179.426 177.584 -0.027 0.000 1.153 128 A CA 2.106 54.309 52.037 0.277 0.000 0.692 128 A CB -0.523 18.710 19.000 0.390 0.000 0.799 128 A HN 1.362 nan 8.150 nan 0.000 0.458 129 S N 0.095 115.580 115.700 -0.359 0.000 2.469 129 S HA 0.017 4.487 4.470 -0.000 0.000 0.238 129 S C 0.755 174.969 174.600 -0.644 0.000 0.998 129 S CA 0.211 57.892 58.200 -0.865 0.000 0.957 129 S CB -0.539 62.313 63.200 -0.580 0.000 0.764 129 S HN 0.523 nan 8.310 nan 0.000 0.514 130 L N 2.256 123.217 121.223 -0.436 0.000 2.483 130 L HA 0.049 4.389 4.340 -0.000 0.000 0.276 130 L C 1.174 177.769 176.870 -0.459 0.000 1.213 130 L CA -0.403 54.133 54.840 -0.507 0.000 0.843 130 L CB 0.221 41.812 42.059 -0.780 0.000 1.107 130 L HN 0.061 nan 8.230 nan 0.000 0.487 131 D N 1.467 121.632 120.400 -0.392 0.000 2.117 131 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 131 D C 2.097 178.198 176.300 -0.331 0.000 0.987 131 D CA 0.874 54.717 54.000 -0.260 0.000 0.829 131 D CB 0.052 40.720 40.800 -0.221 0.000 0.961 131 D HN 0.343 nan 8.370 nan 0.000 0.460 132 V N 0.721 120.290 119.914 -0.576 0.000 2.392 132 V HA -0.249 3.870 4.120 -0.000 0.000 0.249 132 V C 1.157 176.810 176.094 -0.735 0.000 1.059 132 V CA 1.291 63.204 62.300 -0.644 0.000 1.051 132 V CB -0.637 30.704 31.823 -0.802 0.000 0.658 132 V HN 0.242 nan 8.190 nan 0.000 0.455 133 Y N -0.319 119.544 120.300 -0.728 0.000 2.581 133 Y HA 0.290 4.840 4.550 -0.000 0.000 0.346 133 Y C 0.648 176.405 175.900 -0.238 0.000 1.147 133 Y CA -1.598 55.937 58.100 -0.942 0.000 1.353 133 Y CB -1.409 36.756 38.460 -0.492 0.000 1.187 133 Y HN 0.210 nan 8.280 nan 0.000 0.505 134 D N 0.424 120.833 120.400 0.015 0.000 2.348 134 D HA 0.105 4.744 4.640 -0.000 0.000 0.259 134 D C 1.535 177.754 176.300 -0.134 0.000 1.296 134 D CA 0.215 54.244 54.000 0.048 0.000 0.931 134 D CB 0.748 41.677 40.800 0.215 0.000 1.067 134 D HN 0.471 nan 8.370 nan 0.000 0.503 135 G N 3.883 112.081 108.800 -1.003 0.000 2.625 135 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.214 135 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.214 135 G C 1.552 175.893 174.900 -0.932 0.000 1.132 135 G CA 0.285 44.680 45.100 -1.174 0.000 0.782 135 G HN 0.502 nan 8.290 nan 0.000 0.538 136 R N -0.449 119.613 120.500 -0.730 0.000 2.162 136 R HA -0.225 4.114 4.340 -0.000 0.000 0.245 136 R C 2.119 178.196 176.300 -0.373 0.000 1.129 136 R CA 2.384 58.247 56.100 -0.394 0.000 0.940 136 R CB -0.407 29.576 30.300 -0.528 0.000 0.875 136 R HN 0.444 nan 8.270 nan 0.000 0.437 137 F N -0.370 119.519 119.950 -0.101 0.000 2.118 137 F HA -0.048 4.479 4.527 -0.000 0.000 0.293 137 F C 2.134 177.875 175.800 -0.097 0.000 1.102 137 F CA 0.337 58.295 58.000 -0.070 0.000 1.247 137 F CB -0.879 38.081 39.000 -0.066 0.000 1.017 137 F HN 0.023 nan 8.300 nan 0.000 0.475 138 L N 0.252 121.503 121.223 0.046 0.000 2.263 138 L HA -0.164 4.175 4.340 -0.000 0.000 0.216 138 L C 2.174 179.017 176.870 -0.045 0.000 1.111 138 L CA 1.515 56.311 54.840 -0.073 0.000 0.773 138 L CB -0.812 41.105 42.059 -0.236 0.000 0.906 138 L HN 0.156 nan 8.230 nan 0.000 0.439 139 A N -1.911 120.892 122.820 -0.027 0.000 1.871 139 A HA -0.101 4.219 4.320 -0.000 0.000 0.211 139 A C 2.186 179.809 177.584 0.066 0.000 1.207 139 A CA 0.840 52.903 52.037 0.043 0.000 0.620 139 A CB -0.546 18.525 19.000 0.119 0.000 0.860 139 A HN 0.433 nan 8.150 nan 0.000 0.450 140 Q N 0.307 120.142 119.800 0.059 0.000 1.993 140 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 140 Q C 2.149 178.185 176.000 0.059 0.000 0.984 140 Q CA 2.366 58.208 55.803 0.066 0.000 0.837 140 Q CB -0.397 28.364 28.738 0.038 0.000 0.902 140 Q HN 0.342 nan 8.270 nan 0.000 0.423 141 V N 1.471 121.421 119.914 0.060 0.000 2.307 141 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 141 V C 2.195 178.308 176.094 0.032 0.000 1.045 141 V CA 1.904 64.236 62.300 0.053 0.000 1.024 141 V CB -0.322 31.543 31.823 0.070 0.000 0.651 141 V HN 0.320 nan 8.190 nan 0.000 0.449 142 E N -0.295 119.918 120.200 0.022 0.000 2.385 142 E HA 0.133 4.483 4.350 -0.000 0.000 0.194 142 E C 1.574 178.183 176.600 0.014 0.000 1.013 142 E CA 0.790 57.194 56.400 0.007 0.000 0.866 142 E CB 0.130 29.822 29.700 -0.013 0.000 0.832 142 E HN 0.628 nan 8.360 nan 0.000 0.500 143 G N 1.521 110.339 108.800 0.030 0.000 2.289 143 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.280 143 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.280 143 G C 0.120 175.043 174.900 0.038 0.000 1.089 143 G CA 0.378 45.503 45.100 0.041 0.000 0.939 143 G HN 0.469 nan 8.290 nan 0.000 0.499 144 A N -0.947 121.896 122.820 0.038 0.000 2.350 144 A HA 0.913 5.232 4.320 -0.000 0.000 0.318 144 A C -0.108 177.521 177.584 0.076 0.000 1.132 144 A CA -0.505 51.552 52.037 0.035 0.000 0.811 144 A CB 2.177 21.174 19.000 -0.005 0.000 1.313 144 A HN 1.234 nan 8.150 nan 0.000 0.454 145 V N 2.144 122.110 119.914 0.086 0.000 2.328 145 V HA 0.346 4.466 4.120 -0.000 0.000 0.278 145 V C -0.692 175.488 176.094 0.143 0.000 1.021 145 V CA -0.162 62.217 62.300 0.132 0.000 0.838 145 V CB 0.496 32.390 31.823 0.118 0.000 0.999 145 V HN 0.682 nan 8.190 nan 0.000 0.447 146 L N 5.656 127.000 121.223 0.201 0.000 2.375 146 L HA 0.759 5.099 4.340 -0.000 0.000 0.268 146 L C -0.016 177.054 176.870 0.333 0.000 1.058 146 L CA -0.120 54.862 54.840 0.237 0.000 0.803 146 L CB 1.814 43.961 42.059 0.146 0.000 1.212 146 L HN 0.361 nan 8.230 nan 0.000 0.451 147 V N -0.363 119.757 119.914 0.344 0.000 3.147 147 V HA 0.793 4.913 4.120 -0.000 0.000 0.306 147 V C -1.285 175.020 176.094 0.351 0.000 1.209 147 V CA -0.641 61.848 62.300 0.315 0.000 1.023 147 V CB 2.566 34.501 31.823 0.186 0.000 1.059 147 V HN 0.803 nan 8.190 nan 0.000 0.435 148 S N 3.401 119.297 115.700 0.326 0.000 2.599 148 S HA 0.536 5.006 4.470 -0.000 0.000 0.269 148 S C -0.803 173.965 174.600 0.280 0.000 1.135 148 S CA -0.889 57.516 58.200 0.341 0.000 1.027 148 S CB 1.325 64.840 63.200 0.525 0.000 1.129 148 S HN 0.895 nan 8.310 nan 0.000 0.458 149 M N 1.216 120.929 119.600 0.187 0.000 2.114 149 M HA 0.628 5.108 4.480 -0.000 0.000 0.280 149 M C -1.006 175.562 176.300 0.446 0.000 1.209 149 M CA -0.052 55.391 55.300 0.238 0.000 1.044 149 M CB -0.417 32.194 32.600 0.017 0.000 1.404 149 M HN 0.489 nan 8.290 nan 0.000 0.499 150 N N 1.362 120.379 118.700 0.528 0.000 2.483 150 N HA 0.425 5.165 4.740 -0.000 0.000 0.267 150 N C -1.539 174.226 175.510 0.424 0.000 0.998 150 N CA -0.275 53.069 53.050 0.490 0.000 0.918 150 N CB 0.807 39.469 38.487 0.291 0.000 1.215 150 N HN 0.659 nan 8.380 nan 0.000 0.500 151 Y N -0.433 120.082 120.300 0.358 0.000 2.403 151 Y HA 0.579 5.129 4.550 -0.000 0.000 0.323 151 Y C 0.588 176.625 175.900 0.229 0.000 1.226 151 Y CA -1.188 57.046 58.100 0.224 0.000 1.235 151 Y CB 0.837 39.369 38.460 0.120 0.000 1.248 151 Y HN 0.121 nan 8.280 nan 0.000 0.489 152 R N 1.872 122.531 120.500 0.265 0.000 2.442 152 R HA 0.416 4.756 4.340 -0.000 0.000 0.291 152 R C -0.386 176.078 176.300 0.273 0.000 1.069 152 R CA -0.253 55.942 56.100 0.159 0.000 1.022 152 R CB 0.734 31.072 30.300 0.063 0.000 0.976 152 R HN 0.764 nan 8.270 nan 0.000 0.443 153 V N 0.316 120.410 119.914 0.301 0.000 3.166 153 V HA 0.919 5.039 4.120 -0.000 0.000 0.317 153 V C 0.611 176.995 176.094 0.482 0.000 1.136 153 V CA 0.068 62.663 62.300 0.492 0.000 1.035 153 V CB 1.308 33.367 31.823 0.393 0.000 1.110 153 V HN 0.969 nan 8.190 nan 0.000 0.450 154 G N 1.597 110.733 108.800 0.560 0.000 2.601 154 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.252 154 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.252 154 G C 0.634 175.649 174.900 0.192 0.000 1.294 154 G CA 0.702 46.063 45.100 0.436 0.000 0.912 154 G HN 1.802 nan 8.290 nan 0.000 0.574 155 T N 0.433 114.903 114.554 -0.141 0.000 2.620 155 T HA -0.258 4.092 4.350 -0.000 0.000 0.267 155 T C 2.111 176.631 174.700 -0.300 0.000 1.044 155 T CA 2.847 64.553 62.100 -0.657 0.000 1.161 155 T CB -0.407 67.979 68.868 -0.804 0.000 0.862 155 T HN 0.475 nan 8.240 nan 0.000 0.438 156 F N 1.575 121.602 119.950 0.128 0.000 2.102 156 F HA 0.119 4.646 4.527 -0.000 0.000 0.298 156 F C 2.856 178.685 175.800 0.047 0.000 1.105 156 F CA 0.950 59.007 58.000 0.095 0.000 1.239 156 F CB -1.201 37.776 39.000 -0.038 0.000 0.991 156 F HN 0.267 nan 8.300 nan 0.000 0.474 157 G N -1.720 107.171 108.800 0.151 0.000 2.511 157 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.217 157 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.217 157 G C 0.848 175.261 174.900 -0.812 0.000 1.133 157 G CA 0.483 45.416 45.100 -0.279 0.000 0.792 157 G HN 0.389 nan 8.290 nan 0.000 0.539 158 F N -0.909 119.086 119.950 0.075 0.000 2.899 158 F HA 0.405 4.932 4.527 -0.000 0.000 0.337 158 F C 0.422 176.166 175.800 -0.094 0.000 1.129 158 F CA -1.003 57.000 58.000 0.006 0.000 1.128 158 F CB 0.265 39.281 39.000 0.026 0.000 1.154 158 F HN -0.093 nan 8.300 nan 0.000 0.531 159 L N 2.285 123.395 121.223 -0.188 0.000 2.499 159 L HA 0.543 4.883 4.340 -0.000 0.000 0.273 159 L C -0.051 176.670 176.870 -0.248 0.000 1.195 159 L CA 0.039 54.635 54.840 -0.408 0.000 0.882 159 L CB 0.461 42.000 42.059 -0.866 0.000 1.133 159 L HN 0.148 nan 8.230 nan 0.000 0.483 160 A N 5.549 128.294 122.820 -0.126 0.000 2.449 160 A HA 0.687 5.007 4.320 -0.000 0.000 0.302 160 A C -1.214 176.328 177.584 -0.070 0.000 1.048 160 A CA -0.554 51.435 52.037 -0.080 0.000 0.708 160 A CB 1.548 20.550 19.000 0.003 0.000 1.274 160 A HN 0.610 nan 8.150 nan 0.000 0.410 161 L N 3.631 124.812 121.223 -0.071 0.000 2.637 161 L HA 0.338 4.678 4.340 -0.000 0.000 0.241 161 L C -2.185 174.671 176.870 -0.025 0.000 1.398 161 L CA -1.549 53.261 54.840 -0.050 0.000 0.895 161 L CB 1.057 43.076 42.059 -0.066 0.000 1.183 161 L HN 0.491 nan 8.230 nan 0.000 0.497 162 P HA -0.056 nan 4.420 nan 0.000 0.264 162 P C 0.795 178.096 177.300 0.002 0.000 1.156 162 P CA 1.260 64.361 63.100 0.002 0.000 0.756 162 P CB 0.456 32.158 31.700 0.004 0.000 0.764 163 G N 1.305 110.110 108.800 0.007 0.000 2.225 163 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.264 163 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.264 163 G C -0.065 174.837 174.900 0.004 0.000 1.060 163 G CA 0.174 45.279 45.100 0.007 0.000 0.833 163 G HN 1.008 nan 8.290 nan 0.000 0.498 164 S N -3.190 112.512 115.700 0.004 0.000 2.546 164 S HA 0.813 5.283 4.470 -0.000 0.000 0.272 164 S C 0.692 175.298 174.600 0.009 0.000 1.140 164 S CA 0.501 58.703 58.200 0.003 0.000 0.920 164 S CB 1.892 65.087 63.200 -0.008 0.000 1.083 164 S HN 1.625 nan 8.310 nan 0.000 0.476 165 R N 1.369 121.877 120.500 0.013 0.000 2.236 165 R HA 0.185 4.525 4.340 -0.000 0.000 0.208 165 R C 1.417 177.733 176.300 0.027 0.000 1.036 165 R CA 1.282 57.393 56.100 0.019 0.000 1.001 165 R CB -1.196 29.114 30.300 0.017 0.000 0.896 165 R HN 0.802 nan 8.270 nan 0.000 0.464 166 E N -0.046 120.170 120.200 0.026 0.000 2.112 166 E HA 0.123 4.473 4.350 -0.000 0.000 0.190 166 E C 0.405 177.041 176.600 0.060 0.000 0.979 166 E CA 1.253 57.679 56.400 0.044 0.000 0.814 166 E CB 0.368 30.091 29.700 0.039 0.000 0.762 166 E HN 0.538 nan 8.360 nan 0.000 0.460 167 A N 1.932 124.763 122.820 0.018 0.000 3.266 167 A HA 0.301 4.621 4.320 -0.000 0.000 0.310 167 A C -2.005 175.570 177.584 -0.016 0.000 1.066 167 A CA -0.975 51.056 52.037 -0.011 0.000 0.839 167 A CB 0.767 19.675 19.000 -0.153 0.000 1.192 167 A HN -0.123 nan 8.150 nan 0.000 0.496 168 P HA 0.056 nan 4.420 nan 0.000 0.220 168 P C 0.954 178.277 177.300 0.039 0.000 1.148 168 P CA 1.942 65.060 63.100 0.030 0.000 0.803 168 P CB 0.160 31.887 31.700 0.045 0.000 0.782 169 G N 0.362 109.186 108.800 0.040 0.000 2.746 169 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.685 169 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.685 169 G C -0.008 174.962 174.900 0.116 0.000 1.350 169 G CA -0.211 44.928 45.100 0.065 0.000 0.837 169 G HN 0.166 nan 8.290 nan 0.000 0.564 170 N N -2.472 116.345 118.700 0.195 0.000 2.900 170 N HA -0.301 4.439 4.740 -0.000 0.000 0.240 170 N C 2.035 177.627 175.510 0.137 0.000 0.953 170 N CA 2.623 55.830 53.050 0.261 0.000 0.950 170 N CB -1.614 37.017 38.487 0.241 0.000 1.102 170 N HN 1.904 nan 8.380 nan 0.000 0.593 171 V N -2.473 117.427 119.914 -0.024 0.000 2.568 171 V HA -0.105 4.015 4.120 -0.000 0.000 0.253 171 V C 2.396 178.410 176.094 -0.133 0.000 1.072 171 V CA 2.475 64.751 62.300 -0.039 0.000 1.084 171 V CB -1.153 30.649 31.823 -0.034 0.000 0.676 171 V HN 0.303 nan 8.190 nan 0.000 0.469 172 G N 0.548 109.010 108.800 -0.564 0.000 2.440 172 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 172 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 172 G C 1.555 176.449 174.900 -0.010 0.000 1.154 172 G CA 1.285 46.068 45.100 -0.529 0.000 0.767 172 G HN 0.543 nan 8.290 nan 0.000 0.552 173 L N -0.076 121.225 121.223 0.131 0.000 2.056 173 L HA 0.034 4.374 4.340 -0.000 0.000 0.207 173 L C 2.910 179.988 176.870 0.347 0.000 1.078 173 L CA 0.383 55.361 54.840 0.230 0.000 0.749 173 L CB -0.402 41.784 42.059 0.213 0.000 0.901 173 L HN 0.179 nan 8.230 nan 0.000 0.433 174 L N -0.377 121.029 121.223 0.305 0.000 2.043 174 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 174 L C 2.332 179.315 176.870 0.188 0.000 1.075 174 L CA 1.254 56.216 54.840 0.203 0.000 0.752 174 L CB -0.804 41.329 42.059 0.124 0.000 0.891 174 L HN 0.331 nan 8.230 nan 0.000 0.432 175 D N 0.106 120.622 120.400 0.194 0.000 2.103 175 D HA -0.250 4.390 4.640 -0.000 0.000 0.190 175 D C 2.233 178.707 176.300 0.290 0.000 0.997 175 D CA 1.817 55.981 54.000 0.273 0.000 0.833 175 D CB -0.519 40.452 40.800 0.285 0.000 0.961 175 D HN 0.553 nan 8.370 nan 0.000 0.447 176 Q N 0.761 120.709 119.800 0.247 0.000 2.152 176 Q HA -0.207 4.132 4.340 -0.000 0.000 0.206 176 Q C 2.214 178.259 176.000 0.076 0.000 0.985 176 Q CA 1.367 57.260 55.803 0.150 0.000 0.863 176 Q CB -0.407 28.405 28.738 0.124 0.000 0.904 176 Q HN 0.211 nan 8.270 nan 0.000 0.422 177 R N 0.926 121.527 120.500 0.168 0.000 2.083 177 R HA -0.119 4.220 4.340 -0.000 0.000 0.237 177 R C 2.374 178.700 176.300 0.043 0.000 1.137 177 R CA 1.344 57.493 56.100 0.083 0.000 0.951 177 R CB -0.334 30.044 30.300 0.130 0.000 0.851 177 R HN 0.413 nan 8.270 nan 0.000 0.434 178 L N 0.477 121.755 121.223 0.091 0.000 1.990 178 L HA -0.225 4.115 4.340 -0.000 0.000 0.213 178 L C 2.598 179.469 176.870 0.002 0.000 1.072 178 L CA 1.718 56.625 54.840 0.112 0.000 0.755 178 L CB -0.593 41.615 42.059 0.249 0.000 0.889 178 L HN 0.436 nan 8.230 nan 0.000 0.432 179 A N -0.633 122.033 122.820 -0.257 0.000 1.986 179 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 179 A C 2.028 179.544 177.584 -0.114 0.000 1.171 179 A CA 1.531 53.258 52.037 -0.518 0.000 0.640 179 A CB -0.570 17.981 19.000 -0.750 0.000 0.811 179 A HN 0.356 nan 8.150 nan 0.000 0.451 180 L N -0.259 120.932 121.223 -0.053 0.000 2.017 180 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 180 L C 2.718 179.646 176.870 0.095 0.000 1.073 180 L CA 2.093 56.946 54.840 0.022 0.000 0.745 180 L CB -1.233 40.817 42.059 -0.015 0.000 0.894 180 L HN 0.505 nan 8.230 nan 0.000 0.432 181 Q N -2.280 117.578 119.800 0.097 0.000 2.050 181 Q HA -0.280 4.060 4.340 -0.000 0.000 0.202 181 Q C 2.169 178.273 176.000 0.174 0.000 0.980 181 Q CA 1.927 57.801 55.803 0.118 0.000 0.840 181 Q CB -0.518 28.285 28.738 0.108 0.000 0.898 181 Q HN 0.592 nan 8.270 nan 0.000 0.424 182 W N 0.947 122.251 121.300 0.008 0.000 2.308 182 W HA -0.265 4.395 4.660 -0.000 0.000 0.301 182 W C 1.783 178.327 176.519 0.041 0.000 1.220 182 W CA 1.514 58.882 57.345 0.039 0.000 1.240 182 W CB -0.013 29.456 29.460 0.016 0.000 1.142 182 W HN -0.120 nan 8.180 nan 0.000 0.521 183 V N 0.078 120.217 119.914 0.375 0.000 2.283 183 V HA -0.309 3.811 4.120 -0.000 0.000 0.243 183 V C 2.127 178.269 176.094 0.079 0.000 1.039 183 V CA 2.215 64.661 62.300 0.243 0.000 1.016 183 V CB -1.230 30.728 31.823 0.225 0.000 0.650 183 V HN 0.107 nan 8.190 nan 0.000 0.449 184 Q N 0.857 120.710 119.800 0.089 0.000 2.508 184 Q HA -0.168 4.172 4.340 -0.000 0.000 0.214 184 Q C 1.229 177.232 176.000 0.005 0.000 0.979 184 Q CA 1.365 57.203 55.803 0.058 0.000 0.911 184 Q CB -0.115 28.668 28.738 0.074 0.000 0.969 184 Q HN 0.913 nan 8.270 nan 0.000 0.504 185 E N -2.742 117.430 120.200 -0.048 0.000 3.254 185 E HA 0.226 4.576 4.350 -0.000 0.000 0.184 185 E C -0.180 176.279 176.600 -0.234 0.000 0.967 185 E CA -0.186 56.152 56.400 -0.102 0.000 1.311 185 E CB 0.318 29.979 29.700 -0.065 0.000 1.071 185 E HN 0.050 nan 8.360 nan 0.000 0.456 186 N N -0.063 118.465 118.700 -0.287 0.000 2.247 186 N HA -0.017 4.722 4.740 -0.000 0.000 0.317 186 N C 1.102 176.503 175.510 -0.182 0.000 0.873 186 N CA 0.087 52.877 53.050 -0.432 0.000 0.629 186 N CB 0.003 37.782 38.487 -1.180 0.000 2.199 186 N HN 0.102 nan 8.380 nan 0.000 0.945 187 I N 3.004 123.520 120.570 -0.090 0.000 2.399 187 I HA -0.138 4.032 4.170 -0.000 0.000 0.254 187 I C 2.143 178.373 176.117 0.189 0.000 1.146 187 I CA 1.303 62.683 61.300 0.133 0.000 1.412 187 I CB -0.388 37.674 38.000 0.103 0.000 1.076 187 I HN 0.220 nan 8.210 nan 0.000 0.432 188 A N 0.481 123.336 122.820 0.059 0.000 1.917 188 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 188 A C 2.419 180.011 177.584 0.013 0.000 1.182 188 A CA 1.804 53.858 52.037 0.028 0.000 0.633 188 A CB -1.279 17.710 19.000 -0.017 0.000 0.819 188 A HN 0.525 nan 8.150 nan 0.000 0.448 189 A N -2.139 120.653 122.820 -0.047 0.000 2.259 189 A HA 0.179 4.499 4.320 -0.000 0.000 0.212 189 A C 1.188 178.546 177.584 -0.375 0.000 1.178 189 A CA 0.877 52.779 52.037 -0.226 0.000 0.734 189 A CB -0.692 18.095 19.000 -0.355 0.000 0.774 189 A HN 0.484 nan 8.150 nan 0.000 0.481 190 F N -1.435 118.458 119.950 -0.095 0.000 2.661 190 F HA 0.395 4.922 4.527 -0.000 0.000 0.306 190 F C 1.606 177.391 175.800 -0.025 0.000 1.094 190 F CA 0.299 58.245 58.000 -0.091 0.000 1.254 190 F CB 0.381 39.310 39.000 -0.119 0.000 1.040 190 F HN 0.274 nan 8.300 nan 0.000 0.562 191 G N 0.637 109.503 108.800 0.110 0.000 2.137 191 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.237 191 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.237 191 G C 0.492 175.445 174.900 0.088 0.000 1.002 191 G CA -0.199 44.945 45.100 0.075 0.000 0.702 191 G HN 0.722 nan 8.290 nan 0.000 0.515 192 G N -0.095 108.773 108.800 0.114 0.000 2.320 192 G HA2 0.476 4.436 3.960 -0.000 0.000 0.300 192 G HA3 0.476 4.436 3.960 -0.000 0.000 0.300 192 G C -0.258 174.670 174.900 0.046 0.000 1.126 192 G CA 0.027 45.181 45.100 0.090 0.000 0.896 192 G HN 0.224 nan 8.290 nan 0.000 0.436 193 D N 3.164 123.576 120.400 0.019 0.000 2.389 193 D HA 0.099 4.739 4.640 -0.000 0.000 0.263 193 D C -1.395 174.890 176.300 -0.025 0.000 1.255 193 D CA -1.618 52.374 54.000 -0.013 0.000 0.914 193 D CB 1.775 42.553 40.800 -0.037 0.000 1.116 193 D HN 0.084 nan 8.370 nan 0.000 0.502 194 P HA -0.018 nan 4.420 nan 0.000 0.239 194 P C 0.545 177.822 177.300 -0.037 0.000 1.184 194 P CA 0.673 63.775 63.100 0.002 0.000 0.760 194 P CB 0.266 31.976 31.700 0.018 0.000 0.884 195 M N -2.425 117.077 119.600 -0.163 0.000 2.718 195 M HA 0.086 4.566 4.480 -0.000 0.000 0.259 195 M C 1.666 177.443 176.300 -0.872 0.000 1.240 195 M CA 1.167 56.174 55.300 -0.489 0.000 1.210 195 M CB -1.275 31.195 32.600 -0.217 0.000 1.281 195 M HN -0.352 nan 8.290 nan 0.000 0.515 196 S N 0.859 116.335 115.700 -0.374 0.000 2.711 196 S HA 0.033 4.503 4.470 -0.000 0.000 0.237 196 S C 0.469 174.984 174.600 -0.142 0.000 0.971 196 S CA -0.009 58.041 58.200 -0.249 0.000 0.964 196 S CB -1.097 62.027 63.200 -0.127 0.000 0.775 196 S HN 0.202 nan 8.310 nan 0.000 0.540 197 V N 2.877 122.719 119.914 -0.121 0.000 2.539 197 V HA 0.002 4.122 4.120 -0.000 0.000 0.300 197 V C 0.579 176.778 176.094 0.174 0.000 1.019 197 V CA 0.627 62.979 62.300 0.087 0.000 1.160 197 V CB 0.136 32.079 31.823 0.200 0.000 0.901 197 V HN 0.225 nan 8.190 nan 0.000 0.481 198 T N 6.741 121.393 114.554 0.164 0.000 3.068 198 T HA 0.426 4.775 4.350 -0.000 0.000 0.364 198 T C -0.501 174.346 174.700 0.245 0.000 1.161 198 T CA -0.580 61.639 62.100 0.198 0.000 1.155 198 T CB 0.360 69.304 68.868 0.127 0.000 1.060 198 T HN 0.454 nan 8.240 nan 0.000 0.513 199 L N 2.572 123.896 121.223 0.168 0.000 2.361 199 L HA 0.732 5.072 4.340 -0.000 0.000 0.278 199 L C -0.277 176.753 176.870 0.266 0.000 1.113 199 L CA -0.968 53.958 54.840 0.144 0.000 0.849 199 L CB -1.315 40.625 42.059 -0.198 0.000 1.155 199 L HN 0.364 nan 8.230 nan 0.000 0.452 200 F N 0.154 120.153 119.950 0.081 0.000 2.561 200 F HA 1.055 5.582 4.527 -0.000 0.000 0.321 200 F C 0.247 176.051 175.800 0.007 0.000 1.065 200 F CA -1.536 56.553 58.000 0.149 0.000 0.934 200 F CB 1.648 40.871 39.000 0.372 0.000 1.215 200 F HN 0.779 nan 8.300 nan 0.000 0.471 201 G N 0.784 109.513 108.800 -0.117 0.000 2.684 201 G HA2 0.506 4.466 3.960 -0.000 0.000 0.290 201 G HA3 0.506 4.466 3.960 -0.000 0.000 0.290 201 G C -2.311 172.429 174.900 -0.267 0.000 1.425 201 G CA -0.772 43.969 45.100 -0.599 0.000 0.822 201 G HN 0.761 nan 8.290 nan 0.000 0.482 202 E N 0.122 120.077 120.200 -0.407 0.000 2.256 202 E HA 0.600 4.950 4.350 -0.000 0.000 0.267 202 E C 0.762 177.252 176.600 -0.183 0.000 0.892 202 E CA 0.231 56.564 56.400 -0.111 0.000 0.775 202 E CB 2.237 31.972 29.700 0.057 0.000 1.207 202 E HN 0.815 nan 8.360 nan 0.000 0.420 203 S N 2.931 118.571 115.700 -0.099 0.000 4.046 203 S HA -0.412 4.058 4.470 -0.000 0.000 0.572 203 S C 1.534 176.160 174.600 0.043 0.000 2.022 203 S CA 2.516 60.704 58.200 -0.021 0.000 4.201 203 S CB -1.441 61.588 63.200 -0.285 0.000 0.438 203 S HN 0.907 nan 8.310 nan 0.000 0.618 204 A N 1.002 123.714 122.820 -0.179 0.000 1.978 204 A HA 0.118 4.438 4.320 -0.000 0.000 0.220 204 A C 2.580 179.915 177.584 -0.415 0.000 1.170 204 A CA 2.543 54.276 52.037 -0.507 0.000 0.636 204 A CB -1.732 16.477 19.000 -1.318 0.000 0.810 204 A HN 1.614 nan 8.150 nan 0.000 0.448 205 G N -0.589 108.011 108.800 -0.334 0.000 2.414 205 G HA2 0.038 3.998 3.960 -0.000 0.000 0.215 205 G HA3 0.038 3.998 3.960 -0.000 0.000 0.215 205 G C 1.769 176.504 174.900 -0.275 0.000 1.188 205 G CA 1.273 46.159 45.100 -0.357 0.000 0.783 205 G HN 0.830 nan 8.290 nan 0.000 0.537 206 A N 1.088 123.784 122.820 -0.207 0.000 1.986 206 A HA 0.177 4.497 4.320 -0.000 0.000 0.220 206 A C 2.736 180.284 177.584 -0.061 0.000 1.171 206 A CA 2.333 54.311 52.037 -0.098 0.000 0.640 206 A CB -0.626 18.375 19.000 0.001 0.000 0.811 206 A HN 0.797 nan 8.150 nan 0.000 0.451 207 A N -0.775 122.023 122.820 -0.037 0.000 1.929 207 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 207 A C 2.411 179.939 177.584 -0.094 0.000 1.176 207 A CA 1.792 53.795 52.037 -0.057 0.000 0.628 207 A CB -0.682 18.300 19.000 -0.030 0.000 0.816 207 A HN 0.455 nan 8.150 nan 0.000 0.444 208 S N -0.212 115.429 115.700 -0.099 0.000 2.368 208 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 208 S C 1.907 176.377 174.600 -0.216 0.000 1.030 208 S CA 1.361 59.429 58.200 -0.220 0.000 0.999 208 S CB -0.542 62.505 63.200 -0.255 0.000 0.844 208 S HN 0.336 nan 8.310 nan 0.000 0.459 209 V N 1.938 121.785 119.914 -0.111 0.000 2.252 209 V HA -0.236 3.884 4.120 -0.000 0.000 0.249 209 V C 2.676 178.765 176.094 -0.009 0.000 1.056 209 V CA 2.146 64.416 62.300 -0.050 0.000 1.022 209 V CB -1.605 30.167 31.823 -0.085 0.000 0.641 209 V HN 0.600 nan 8.190 nan 0.000 0.445 210 G N -1.103 107.671 108.800 -0.043 0.000 2.440 210 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.218 210 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.218 210 G C 1.587 176.473 174.900 -0.024 0.000 1.154 210 G CA 1.378 46.462 45.100 -0.028 0.000 0.767 210 G HN 0.427 nan 8.290 nan 0.000 0.552 211 M N -0.035 119.486 119.600 -0.131 0.000 2.202 211 M HA -0.054 4.426 4.480 -0.000 0.000 0.262 211 M C 2.146 178.402 176.300 -0.073 0.000 1.063 211 M CA 1.647 56.816 55.300 -0.218 0.000 1.097 211 M CB -0.356 31.984 32.600 -0.433 0.000 1.382 211 M HN 0.479 nan 8.290 nan 0.000 0.413 212 H N -0.927 118.211 119.070 0.113 0.000 2.363 212 H HA 0.045 4.601 4.556 -0.000 0.000 0.301 212 H C 1.694 177.277 175.328 0.425 0.000 1.074 212 H CA 1.546 57.769 56.048 0.291 0.000 1.354 212 H CB -0.276 29.606 29.762 0.199 0.000 1.397 212 H HN 0.528 nan 8.280 nan 0.000 0.516 213 I N -1.056 119.834 120.570 0.534 0.000 3.550 213 I HA -0.026 4.144 4.170 -0.000 0.000 0.295 213 I C 0.454 176.777 176.117 0.344 0.000 1.291 213 I CA 0.666 62.259 61.300 0.488 0.000 1.298 213 I CB 0.183 38.449 38.000 0.442 0.000 1.026 213 I HN 0.112 nan 8.210 nan 0.000 0.491 214 L N 0.170 121.563 121.223 0.283 0.000 2.642 214 L HA 0.294 4.634 4.340 -0.000 0.000 0.233 214 L C 1.072 178.066 176.870 0.208 0.000 1.077 214 L CA 0.665 55.641 54.840 0.227 0.000 0.879 214 L CB 0.273 42.416 42.059 0.141 0.000 1.151 214 L HN 0.273 nan 8.230 nan 0.000 0.495 215 S N -0.438 115.427 115.700 0.274 0.000 2.438 215 S HA 0.338 4.808 4.470 -0.000 0.000 0.316 215 S C 1.146 175.851 174.600 0.176 0.000 1.084 215 S CA -0.599 57.763 58.200 0.271 0.000 1.107 215 S CB 0.477 63.979 63.200 0.504 0.000 0.981 215 S HN 0.157 nan 8.310 nan 0.000 0.466 216 L N 5.815 127.091 121.223 0.089 0.000 1.990 216 L HA 0.044 4.384 4.340 -0.000 0.000 0.213 216 L C -0.829 176.046 176.870 0.010 0.000 1.072 216 L CA 1.702 56.559 54.840 0.029 0.000 0.755 216 L CB -2.369 39.689 42.059 -0.002 0.000 0.889 216 L HN 0.407 nan 8.230 nan 0.000 0.432 217 P HA -0.184 nan 4.420 nan 0.000 0.218 217 P C 1.661 178.960 177.300 -0.002 0.000 1.154 217 P CA 1.964 65.045 63.100 -0.032 0.000 0.872 217 P CB -0.029 31.618 31.700 -0.089 0.000 0.790 218 S N -1.191 114.549 115.700 0.067 0.000 2.325 218 S HA -0.107 4.363 4.470 -0.000 0.000 0.214 218 S C 1.907 176.582 174.600 0.125 0.000 1.031 218 S CA 0.942 59.246 58.200 0.172 0.000 0.972 218 S CB -0.833 62.640 63.200 0.455 0.000 0.908 218 S HN -0.013 nan 8.310 nan 0.000 0.453 219 R N 2.429 122.983 120.500 0.090 0.000 2.301 219 R HA -0.236 4.104 4.340 -0.000 0.000 0.250 219 R C 1.979 177.963 176.300 -0.526 0.000 1.102 219 R CA 2.679 58.623 56.100 -0.261 0.000 0.933 219 R CB -1.510 28.718 30.300 -0.120 0.000 0.955 219 R HN 0.521 nan 8.270 nan 0.000 0.439 220 S N -0.265 115.280 115.700 -0.259 0.000 2.584 220 S HA -0.062 4.408 4.470 -0.000 0.000 0.240 220 S C 1.574 176.067 174.600 -0.178 0.000 0.975 220 S CA 1.165 59.223 58.200 -0.238 0.000 0.949 220 S CB -0.339 62.781 63.200 -0.134 0.000 0.761 220 S HN 0.443 nan 8.310 nan 0.000 0.536 221 L N -0.058 121.101 121.223 -0.107 0.000 2.607 221 L HA 0.438 4.778 4.340 -0.000 0.000 0.228 221 L C 0.210 177.226 176.870 0.242 0.000 1.123 221 L CA -0.294 54.594 54.840 0.079 0.000 0.890 221 L CB -0.260 41.880 42.059 0.136 0.000 1.103 221 L HN 0.466 nan 8.230 nan 0.000 0.468 222 F N -4.214 115.782 119.950 0.077 0.000 2.685 222 F HA 0.554 5.081 4.527 -0.000 0.000 0.315 222 F C 0.490 176.402 175.800 0.186 0.000 1.126 222 F CA -1.020 57.110 58.000 0.217 0.000 0.950 222 F CB 0.860 39.945 39.000 0.143 0.000 1.360 222 F HN -0.228 nan 8.300 nan 0.000 0.469 223 H N -0.986 118.212 119.070 0.215 0.000 2.426 223 H HA 0.476 5.032 4.556 -0.000 0.000 0.286 223 H C 0.326 175.760 175.328 0.177 0.000 0.990 223 H CA 0.355 56.453 56.048 0.083 0.000 1.237 223 H CB 0.182 29.968 29.762 0.039 0.000 1.466 223 H HN 0.367 nan 8.280 nan 0.000 0.525 224 R N 0.101 120.844 120.500 0.405 0.000 2.843 224 R HA 0.819 5.159 4.340 -0.000 0.000 0.232 224 R C -0.939 175.646 176.300 0.474 0.000 1.305 224 R CA -0.684 55.628 56.100 0.353 0.000 1.096 224 R CB 1.697 32.098 30.300 0.167 0.000 1.455 224 R HN 0.254 nan 8.270 nan 0.000 0.520 225 A N 0.232 123.317 122.820 0.441 0.000 2.582 225 A HA 0.512 4.832 4.320 -0.000 0.000 0.297 225 A C -1.608 176.065 177.584 0.149 0.000 1.059 225 A CA -0.573 51.625 52.037 0.268 0.000 0.705 225 A CB 1.548 20.703 19.000 0.259 0.000 1.279 225 A HN 0.294 nan 8.150 nan 0.000 0.404 226 V N 1.631 121.609 119.914 0.107 0.000 2.709 226 V HA 0.668 4.788 4.120 -0.000 0.000 0.308 226 V C -1.203 174.969 176.094 0.129 0.000 1.062 226 V CA -0.480 61.850 62.300 0.050 0.000 0.901 226 V CB 1.668 33.556 31.823 0.108 0.000 1.003 226 V HN 0.726 nan 8.190 nan 0.000 0.425 227 L N 4.365 125.661 121.223 0.121 0.000 2.377 227 L HA 0.515 4.855 4.340 -0.000 0.000 0.270 227 L C -0.192 176.801 176.870 0.203 0.000 0.991 227 L CA -0.072 54.838 54.840 0.118 0.000 0.851 227 L CB 1.623 43.706 42.059 0.041 0.000 1.218 227 L HN 0.608 nan 8.230 nan 0.000 0.420 228 Q N 1.912 121.865 119.800 0.256 0.000 2.360 228 Q HA 0.449 4.789 4.340 -0.000 0.000 0.254 228 Q C 0.041 176.162 176.000 0.201 0.000 0.975 228 Q CA -0.518 55.479 55.803 0.323 0.000 0.912 228 Q CB 1.207 30.198 28.738 0.423 0.000 1.212 228 Q HN 0.624 nan 8.270 nan 0.000 0.452 229 S N 1.157 116.966 115.700 0.183 0.000 3.628 229 S HA -0.149 4.321 4.470 -0.000 0.000 0.373 229 S C 0.037 174.814 174.600 0.296 0.000 0.968 229 S CA 0.485 58.818 58.200 0.221 0.000 1.215 229 S CB -1.205 62.168 63.200 0.290 0.000 0.912 229 S HN 1.003 nan 8.310 nan 0.000 0.495 230 G N -0.279 108.660 108.800 0.232 0.000 2.519 230 G HA2 0.642 4.602 3.960 -0.000 0.000 0.292 230 G HA3 0.642 4.602 3.960 -0.000 0.000 0.292 230 G C -0.940 174.044 174.900 0.139 0.000 1.507 230 G CA 0.130 45.437 45.100 0.345 0.000 0.806 230 G HN 0.946 nan 8.290 nan 0.000 0.523 231 T N -1.143 113.431 114.554 0.033 0.000 2.894 231 T HA 0.729 5.079 4.350 -0.000 0.000 0.309 231 T C -2.314 172.230 174.700 -0.260 0.000 1.208 231 T CA -1.363 60.668 62.100 -0.115 0.000 1.016 231 T CB 3.049 71.841 68.868 -0.127 0.000 1.192 231 T HN 0.329 nan 8.240 nan 0.000 0.491 232 P HA 0.004 nan 4.420 nan 0.000 0.229 232 P C 0.548 177.676 177.300 -0.286 0.000 1.160 232 P CA 0.622 63.571 63.100 -0.252 0.000 0.777 232 P CB 0.095 31.691 31.700 -0.172 0.000 0.814 233 N N -0.379 118.165 118.700 -0.259 0.000 2.235 233 N HA 0.058 4.798 4.740 -0.000 0.000 0.209 233 N C 0.905 176.240 175.510 -0.292 0.000 1.122 233 N CA -0.124 52.785 53.050 -0.234 0.000 0.845 233 N CB -0.171 38.225 38.487 -0.153 0.000 1.004 233 N HN -0.069 nan 8.380 nan 0.000 0.499 234 G N 1.955 110.481 108.800 -0.456 0.000 2.651 234 G HA2 0.203 4.163 3.960 -0.000 0.000 0.260 234 G HA3 0.203 4.163 3.960 -0.000 0.000 0.260 234 G C -1.312 173.281 174.900 -0.513 0.000 1.216 234 G CA -0.843 43.937 45.100 -0.533 0.000 0.913 234 G HN 0.049 nan 8.290 nan 0.000 0.535 235 P HA 0.034 nan 4.420 nan 0.000 0.249 235 P C 0.965 178.164 177.300 -0.169 0.000 1.229 235 P CA 0.657 63.605 63.100 -0.252 0.000 0.788 235 P CB 0.153 31.712 31.700 -0.236 0.000 1.072 236 W N -1.306 119.880 121.300 -0.190 0.000 2.915 236 W HA 0.526 5.186 4.660 -0.000 0.000 0.276 236 W C 0.937 177.510 176.519 0.091 0.000 1.215 236 W CA 0.430 57.727 57.345 -0.080 0.000 1.514 236 W CB -0.884 28.525 29.460 -0.085 0.000 1.017 236 W HN -0.148 nan 8.180 nan 0.000 0.598 237 A N 1.645 124.179 122.820 -0.477 0.000 2.251 237 A HA 0.339 4.659 4.320 -0.000 0.000 0.209 237 A C 0.404 177.827 177.584 -0.268 0.000 1.187 237 A CA 0.870 52.738 52.037 -0.283 0.000 0.823 237 A CB -0.521 18.072 19.000 -0.678 0.000 0.846 237 A HN 0.082 nan 8.150 nan 0.000 0.486 238 T N -0.894 113.524 114.554 -0.227 0.000 2.883 238 T HA 0.571 4.921 4.350 -0.000 0.000 0.301 238 T C -0.780 173.838 174.700 -0.136 0.000 1.158 238 T CA -0.033 61.940 62.100 -0.212 0.000 1.007 238 T CB 1.848 70.587 68.868 -0.216 0.000 1.186 238 T HN 0.746 nan 8.240 nan 0.000 0.499 239 V N -1.173 118.670 119.914 -0.118 0.000 3.049 239 V HA 0.920 5.040 4.120 -0.000 0.000 0.309 239 V C 0.023 176.079 176.094 -0.063 0.000 1.148 239 V CA -1.190 61.065 62.300 -0.075 0.000 0.990 239 V CB 1.697 33.488 31.823 -0.053 0.000 1.039 239 V HN 1.106 nan 8.190 nan 0.000 0.430 240 S N 2.054 117.726 115.700 -0.047 0.000 2.585 240 S HA 0.583 5.053 4.470 -0.000 0.000 0.273 240 S C 1.419 176.004 174.600 -0.025 0.000 1.339 240 S CA 0.086 58.264 58.200 -0.036 0.000 1.028 240 S CB 1.306 64.489 63.200 -0.029 0.000 0.906 240 S HN 2.149 nan 8.310 nan 0.000 0.528 241 A N 2.397 125.205 122.820 -0.019 0.000 2.076 241 A HA 0.093 4.413 4.320 -0.000 0.000 0.220 241 A C 2.055 179.635 177.584 -0.007 0.000 1.160 241 A CA 1.643 53.675 52.037 -0.010 0.000 0.653 241 A CB -1.555 17.442 19.000 -0.006 0.000 0.801 241 A HN 1.114 nan 8.150 nan 0.000 0.455 242 G N -1.249 107.545 108.800 -0.010 0.000 2.396 242 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.214 242 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.214 242 G C 1.511 176.407 174.900 -0.006 0.000 1.166 242 G CA 0.748 45.844 45.100 -0.007 0.000 0.793 242 G HN 0.416 nan 8.290 nan 0.000 0.533 243 E N 0.881 121.074 120.200 -0.011 0.000 2.107 243 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 243 E C 2.902 179.500 176.600 -0.004 0.000 0.982 243 E CA 0.892 57.284 56.400 -0.013 0.000 0.809 243 E CB -0.211 29.475 29.700 -0.024 0.000 0.756 243 E HN 0.271 nan 8.360 nan 0.000 0.459 244 A N 1.374 124.197 122.820 0.005 0.000 1.883 244 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 244 A C 2.240 179.850 177.584 0.043 0.000 1.186 244 A CA 1.885 53.945 52.037 0.039 0.000 0.624 244 A CB -0.594 18.428 19.000 0.037 0.000 0.822 244 A HN 0.196 nan 8.150 nan 0.000 0.444 245 R N -0.543 119.967 120.500 0.017 0.000 2.193 245 R HA -0.117 4.223 4.340 -0.000 0.000 0.229 245 R C 2.323 178.630 176.300 0.011 0.000 1.110 245 R CA 1.460 57.564 56.100 0.007 0.000 0.988 245 R CB -0.232 30.067 30.300 -0.001 0.000 0.871 245 R HN 0.586 nan 8.270 nan 0.000 0.458 246 R N 0.342 120.849 120.500 0.013 0.000 2.057 246 R HA -0.037 4.303 4.340 -0.000 0.000 0.224 246 R C 2.037 178.351 176.300 0.023 0.000 1.136 246 R CA 1.043 57.150 56.100 0.011 0.000 0.968 246 R CB -0.075 30.226 30.300 0.001 0.000 0.863 246 R HN 0.201 nan 8.270 nan 0.000 0.433 247 R N 0.410 120.926 120.500 0.026 0.000 2.080 247 R HA -0.087 4.253 4.340 -0.000 0.000 0.236 247 R C 2.441 178.820 176.300 0.132 0.000 1.137 247 R CA 1.530 57.653 56.100 0.038 0.000 0.943 247 R CB -0.560 29.706 30.300 -0.057 0.000 0.846 247 R HN 0.266 nan 8.270 nan 0.000 0.431 248 A N 1.237 124.155 122.820 0.163 0.000 1.884 248 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 248 A C 2.375 179.977 177.584 0.030 0.000 1.197 248 A CA 2.554 54.645 52.037 0.090 0.000 0.637 248 A CB -1.355 17.633 19.000 -0.021 0.000 0.827 248 A HN 0.570 nan 8.150 nan 0.000 0.450 249 T N -1.441 113.125 114.554 0.019 0.000 2.720 249 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 249 T C 1.765 176.485 174.700 0.033 0.000 1.037 249 T CA 1.530 63.637 62.100 0.013 0.000 1.144 249 T CB -0.596 68.278 68.868 0.009 0.000 0.864 249 T HN 0.303 nan 8.240 nan 0.000 0.444 250 L N 1.030 122.283 121.223 0.049 0.000 1.994 250 L HA 0.128 4.468 4.340 -0.000 0.000 0.208 250 L C 2.370 179.294 176.870 0.089 0.000 1.071 250 L CA 1.582 56.459 54.840 0.062 0.000 0.745 250 L CB -1.283 40.811 42.059 0.057 0.000 0.892 250 L HN 0.297 nan 8.230 nan 0.000 0.431 251 L N 0.252 121.544 121.223 0.115 0.000 1.990 251 L HA -0.170 4.170 4.340 -0.000 0.000 0.213 251 L C 2.563 179.485 176.870 0.086 0.000 1.072 251 L CA 2.318 57.243 54.840 0.142 0.000 0.755 251 L CB -1.176 40.995 42.059 0.187 0.000 0.889 251 L HN 0.338 nan 8.230 nan 0.000 0.432 252 A N -0.396 122.449 122.820 0.042 0.000 1.927 252 A HA -0.319 4.001 4.320 -0.000 0.000 0.220 252 A C 2.615 180.218 177.584 0.032 0.000 1.185 252 A CA 3.090 55.136 52.037 0.014 0.000 0.639 252 A CB -1.067 17.929 19.000 -0.007 0.000 0.820 252 A HN 0.550 nan 8.150 nan 0.000 0.451 253 R N -0.504 120.025 120.500 0.048 0.000 2.093 253 R HA 0.253 4.593 4.340 -0.000 0.000 0.224 253 R C 2.169 178.519 176.300 0.083 0.000 1.101 253 R CA 1.249 57.382 56.100 0.055 0.000 0.979 253 R CB -1.366 28.964 30.300 0.051 0.000 0.877 253 R HN 0.568 nan 8.270 nan 0.000 0.441 254 L N 0.388 121.685 121.223 0.123 0.000 2.012 254 L HA -0.196 4.143 4.340 -0.000 0.000 0.210 254 L C 2.588 179.583 176.870 0.208 0.000 1.073 254 L CA 1.561 56.526 54.840 0.209 0.000 0.748 254 L CB -0.513 41.736 42.059 0.316 0.000 0.891 254 L HN 0.260 nan 8.230 nan 0.000 0.431 255 V N -0.504 119.460 119.914 0.084 0.000 2.223 255 V HA -0.169 3.951 4.120 -0.000 0.000 0.244 255 V C 1.479 177.575 176.094 0.002 0.000 1.045 255 V CA 1.961 64.224 62.300 -0.061 0.000 1.000 255 V CB -0.620 31.147 31.823 -0.093 0.000 0.635 255 V HN 0.696 nan 8.190 nan 0.000 0.445 256 G N -2.533 106.279 108.800 0.020 0.000 3.584 256 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.223 256 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.223 256 G C -0.333 174.579 174.900 0.020 0.000 0.932 256 G CA -0.052 45.064 45.100 0.026 0.000 1.111 256 G HN 0.436 nan 8.290 nan 0.000 0.689 266 D N -0.118 120.280 120.400 -0.003 0.000 2.154 266 D HA -0.076 4.563 4.640 -0.000 0.000 0.211 266 D C 1.883 178.179 176.300 -0.007 0.000 0.977 266 D CA 1.961 55.956 54.000 -0.009 0.000 0.869 266 D CB 0.252 41.047 40.800 -0.009 0.000 1.022 266 D HN 0.522 nan 8.370 nan 0.000 0.461 267 T N -1.039 113.516 114.554 0.001 0.000 2.759 267 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 267 T C 1.764 176.471 174.700 0.012 0.000 1.042 267 T CA 1.505 63.610 62.100 0.009 0.000 1.140 267 T CB -0.395 68.480 68.868 0.011 0.000 0.864 267 T HN 0.209 nan 8.240 nan 0.000 0.455 268 E N 0.397 120.601 120.200 0.008 0.000 2.072 268 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 268 E C 2.144 178.750 176.600 0.009 0.000 0.985 268 E CA 0.850 57.255 56.400 0.010 0.000 0.801 268 E CB -0.204 29.500 29.700 0.008 0.000 0.750 268 E HN 0.429 nan 8.360 nan 0.000 0.452 269 L N 1.105 122.329 121.223 0.002 0.000 2.017 269 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 269 L C 2.193 179.062 176.870 -0.002 0.000 1.073 269 L CA 1.426 56.263 54.840 -0.005 0.000 0.745 269 L CB -0.432 41.614 42.059 -0.020 0.000 0.894 269 L HN 0.235 nan 8.230 nan 0.000 0.432 270 I N -0.048 120.521 120.570 -0.001 0.000 2.179 270 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 270 I C 2.725 178.888 176.117 0.076 0.000 1.088 270 I CA 1.451 62.769 61.300 0.030 0.000 1.357 270 I CB -1.916 36.106 38.000 0.036 0.000 1.051 270 I HN 0.354 nan 8.210 nan 0.000 0.409 271 A N 0.298 123.147 122.820 0.049 0.000 1.896 271 A HA -0.365 3.955 4.320 -0.000 0.000 0.220 271 A C 2.704 180.314 177.584 0.043 0.000 1.206 271 A CA 2.452 54.515 52.037 0.043 0.000 0.647 271 A CB -1.553 17.463 19.000 0.027 0.000 0.828 271 A HN 0.586 nan 8.150 nan 0.000 0.455 272 c N -0.703 117.918 118.600 0.035 0.000 2.429 272 c HA -0.048 4.521 4.570 -0.000 0.000 0.277 272 c C 2.639 176.756 174.090 0.045 0.000 1.262 272 c CA 1.160 57.507 56.329 0.029 0.000 1.733 272 c CB -1.684 40.838 42.510 0.020 0.000 2.010 272 c HN 0.596 nan 8.230 nan 0.000 0.483 273 L N 0.398 121.664 121.223 0.073 0.000 2.043 273 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 273 L C 2.985 179.947 176.870 0.154 0.000 1.075 273 L CA 1.758 56.681 54.840 0.138 0.000 0.752 273 L CB -0.622 41.564 42.059 0.210 0.000 0.891 273 L HN 0.379 nan 8.230 nan 0.000 0.432 274 R N -0.816 119.760 120.500 0.127 0.000 2.237 274 R HA -0.105 4.235 4.340 -0.000 0.000 0.219 274 R C 2.158 178.458 176.300 0.000 0.000 1.080 274 R CA 1.579 57.700 56.100 0.035 0.000 0.995 274 R CB -0.399 29.919 30.300 0.031 0.000 0.875 274 R HN 0.507 nan 8.270 nan 0.000 0.462 275 T N -1.626 112.937 114.554 0.014 0.000 3.067 275 T HA 0.084 4.434 4.350 -0.000 0.000 0.257 275 T C 0.967 175.663 174.700 -0.006 0.000 1.105 275 T CA -0.055 62.045 62.100 -0.001 0.000 1.104 275 T CB 0.222 69.093 68.868 0.004 0.000 0.925 275 T HN -0.141 nan 8.240 nan 0.000 0.498 276 R N 2.620 123.121 120.500 0.001 0.000 2.308 276 R HA 0.401 4.741 4.340 -0.000 0.000 0.305 276 R C -2.778 173.514 176.300 -0.014 0.000 1.053 276 R CA -2.574 53.521 56.100 -0.009 0.000 0.957 276 R CB 0.439 30.732 30.300 -0.011 0.000 1.022 276 R HN 0.253 nan 8.270 nan 0.000 0.461 277 P HA -0.044 nan 4.420 nan 0.000 0.262 277 P C 0.294 177.588 177.300 -0.011 0.000 1.182 277 P CA 0.354 63.434 63.100 -0.033 0.000 0.761 277 P CB 0.663 32.352 31.700 -0.018 0.000 0.795 278 A N 3.819 126.583 122.820 -0.093 0.000 1.927 278 A HA -0.306 4.014 4.320 -0.000 0.000 0.220 278 A C 2.178 179.826 177.584 0.106 0.000 1.185 278 A CA 2.134 54.139 52.037 -0.053 0.000 0.639 278 A CB -1.238 17.127 19.000 -1.060 0.000 0.820 278 A HN 0.550 nan 8.150 nan 0.000 0.451 279 Q N -0.063 119.775 119.800 0.063 0.000 2.096 279 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 279 Q C 1.671 177.801 176.000 0.217 0.000 0.982 279 Q CA 2.260 58.237 55.803 0.291 0.000 0.850 279 Q CB -0.445 28.423 28.738 0.217 0.000 0.901 279 Q HN 0.636 nan 8.270 nan 0.000 0.422 280 D N -1.071 119.391 120.400 0.103 0.000 2.084 280 D HA -0.149 4.490 4.640 -0.000 0.000 0.194 280 D C 1.596 177.884 176.300 -0.020 0.000 0.990 280 D CA 1.116 55.124 54.000 0.014 0.000 0.826 280 D CB -0.145 40.622 40.800 -0.055 0.000 0.971 280 D HN 0.268 nan 8.370 nan 0.000 0.453 281 L N -0.037 121.192 121.223 0.011 0.000 1.989 281 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 281 L C 2.693 179.621 176.870 0.097 0.000 1.071 281 L CA 0.984 55.811 54.840 -0.022 0.000 0.749 281 L CB -1.000 40.959 42.059 -0.167 0.000 0.890 281 L HN 0.019 nan 8.230 nan 0.000 0.431 282 V N -0.240 119.821 119.914 0.245 0.000 2.252 282 V HA -0.368 3.752 4.120 -0.000 0.000 0.249 282 V C 2.262 178.528 176.094 0.286 0.000 1.056 282 V CA 2.052 64.547 62.300 0.324 0.000 1.022 282 V CB -0.630 31.487 31.823 0.489 0.000 0.641 282 V HN 0.440 nan 8.190 nan 0.000 0.445 283 D N -0.935 119.656 120.400 0.318 0.000 2.191 283 D HA -0.191 4.449 4.640 -0.000 0.000 0.195 283 D C 1.793 178.246 176.300 0.256 0.000 1.003 283 D CA 1.644 55.848 54.000 0.341 0.000 0.867 283 D CB -0.277 40.780 40.800 0.428 0.000 0.926 283 D HN 0.664 nan 8.370 nan 0.000 0.450 284 H N -0.847 118.217 119.070 -0.011 0.000 2.542 284 H HA 0.109 4.665 4.556 -0.000 0.000 0.283 284 H C 1.403 176.665 175.328 -0.111 0.000 1.059 284 H CA 0.046 56.023 56.048 -0.120 0.000 1.162 284 H CB 0.591 30.353 29.762 0.000 0.000 1.539 284 H HN 0.394 nan 8.280 nan 0.000 0.543 285 E N 0.601 120.807 120.200 0.009 0.000 2.158 285 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 285 E C 0.885 177.327 176.600 -0.265 0.000 0.982 285 E CA 0.371 56.751 56.400 -0.034 0.000 0.823 285 E CB -0.295 29.431 29.700 0.043 0.000 0.766 285 E HN 0.428 nan 8.360 nan 0.000 0.468 286 W N 1.093 122.308 121.300 -0.141 0.000 2.961 286 W HA 0.069 4.729 4.660 -0.000 0.000 0.240 286 W C 1.290 177.852 176.519 0.072 0.000 1.305 286 W CA 0.466 57.744 57.345 -0.112 0.000 1.465 286 W CB -0.051 29.320 29.460 -0.149 0.000 1.135 286 W HN 0.293 nan 8.180 nan 0.000 0.688 287 H N -1.259 117.876 119.070 0.109 0.000 2.648 287 H HA 0.001 4.557 4.556 -0.000 0.000 0.265 287 H C 2.132 177.470 175.328 0.017 0.000 0.961 287 H CA 0.643 56.729 56.048 0.063 0.000 1.185 287 H CB 0.325 30.113 29.762 0.044 0.000 1.449 287 H HN 0.116 nan 8.280 nan 0.000 0.523 288 V N -0.856 119.104 119.914 0.076 0.000 3.461 288 V HA 0.052 4.172 4.120 -0.000 0.000 0.267 288 V C 0.577 176.640 176.094 -0.052 0.000 1.186 288 V CA 0.095 62.389 62.300 -0.011 0.000 1.154 288 V CB -0.536 31.227 31.823 -0.100 0.000 0.802 288 V HN 0.053 nan 8.190 nan 0.000 0.474 289 L N 3.545 124.755 121.223 -0.021 0.000 2.500 289 L HA 0.320 4.660 4.340 -0.000 0.000 0.272 289 L C -0.223 176.652 176.870 0.008 0.000 1.149 289 L CA -1.367 53.467 54.840 -0.011 0.000 0.897 289 L CB 0.677 42.773 42.059 0.063 0.000 1.178 289 L HN 0.178 nan 8.230 nan 0.000 0.473 290 P HA -0.158 nan 4.420 nan 0.000 0.208 290 P C -0.267 177.035 177.300 0.003 0.000 1.195 290 P CA 1.071 64.169 63.100 -0.004 0.000 0.927 290 P CB 0.286 31.980 31.700 -0.011 0.000 0.778 291 Q N 0.306 120.108 119.800 0.003 0.000 2.235 291 Q HA 0.217 4.557 4.340 -0.000 0.000 0.256 291 Q C -0.095 175.911 176.000 0.010 0.000 0.951 291 Q CA -0.536 55.270 55.803 0.006 0.000 0.890 291 Q CB 0.868 29.610 28.738 0.007 0.000 1.279 291 Q HN 0.308 nan 8.270 nan 0.000 0.444 292 E N 0.695 120.901 120.200 0.010 0.000 2.417 292 E HA 0.292 4.642 4.350 -0.000 0.000 0.261 292 E C -0.644 175.963 176.600 0.011 0.000 1.000 292 E CA -0.065 56.343 56.400 0.013 0.000 0.919 292 E CB 0.300 30.006 29.700 0.010 0.000 0.955 292 E HN 0.569 nan 8.360 nan 0.000 0.455 293 S N 2.668 118.375 115.700 0.011 0.000 2.661 293 S HA 0.670 5.139 4.470 -0.000 0.000 0.268 293 S C -0.496 174.104 174.600 -0.000 0.000 1.162 293 S CA -1.056 57.145 58.200 0.002 0.000 0.817 293 S CB 0.652 63.845 63.200 -0.011 0.000 1.141 293 S HN 0.746 nan 8.310 nan 0.000 0.477 294 I N -3.324 117.237 120.570 -0.014 0.000 2.865 294 I HA 0.820 4.990 4.170 -0.000 0.000 0.302 294 I C -0.292 175.778 176.117 -0.079 0.000 1.140 294 I CA -1.033 60.267 61.300 0.000 0.000 1.021 294 I CB 1.670 39.721 38.000 0.086 0.000 1.233 294 I HN 0.834 nan 8.210 nan 0.000 0.427 295 F N 1.722 121.424 119.950 -0.414 0.000 3.018 295 F HA -0.187 4.340 4.527 -0.000 0.000 0.287 295 F C -0.299 174.844 175.800 -1.095 0.000 0.813 295 F CA 0.558 58.000 58.000 -0.929 0.000 1.209 295 F CB -0.881 37.480 39.000 -1.065 0.000 1.321 295 F HN 0.744 nan 8.300 nan 0.000 0.477 296 R N 1.397 121.501 120.500 -0.661 0.000 2.422 296 R HA 0.572 4.911 4.340 -0.000 0.000 0.307 296 R C -1.275 174.790 176.300 -0.391 0.000 1.004 296 R CA -0.511 55.313 56.100 -0.460 0.000 0.882 296 R CB 0.224 30.424 30.300 -0.167 0.000 1.164 296 R HN -0.017 nan 8.270 nan 0.000 0.489 297 F N 1.002 121.067 119.950 0.191 0.000 2.422 297 F HA 0.283 4.810 4.527 -0.000 0.000 0.333 297 F C 1.768 177.547 175.800 -0.036 0.000 1.095 297 F CA -0.836 57.239 58.000 0.124 0.000 1.038 297 F CB 1.685 40.841 39.000 0.260 0.000 1.156 297 F HN 0.555 nan 8.300 nan 0.000 0.483 298 S N 0.531 116.173 115.700 -0.096 0.000 2.383 298 S HA -0.020 4.450 4.470 -0.000 0.000 0.227 298 S C 0.025 174.235 174.600 -0.651 0.000 1.026 298 S CA 0.864 58.785 58.200 -0.465 0.000 0.981 298 S CB -0.467 62.267 63.200 -0.777 0.000 0.818 298 S HN 0.345 nan 8.310 nan 0.000 0.472 299 F N 2.135 122.109 119.950 0.040 0.000 2.496 299 F HA 0.685 5.212 4.527 -0.000 0.000 0.341 299 F C -0.166 175.632 175.800 -0.002 0.000 1.134 299 F CA -1.269 56.761 58.000 0.050 0.000 0.968 299 F CB 2.064 41.123 39.000 0.097 0.000 1.205 299 F HN 0.109 nan 8.300 nan 0.000 0.436 300 V N 0.709 120.594 119.914 -0.049 0.000 3.182 300 V HA 0.779 4.899 4.120 -0.000 0.000 0.308 300 V C -2.952 172.713 176.094 -0.715 0.000 1.240 300 V CA -3.225 58.710 62.300 -0.608 0.000 1.063 300 V CB 2.074 33.767 31.823 -0.217 0.000 1.076 300 V HN 0.300 nan 8.190 nan 0.000 0.446 301 P HA 0.188 nan 4.420 nan 0.000 0.264 301 P C -0.778 176.338 177.300 -0.305 0.000 1.179 301 P CA 0.465 63.207 63.100 -0.597 0.000 0.763 301 P CB 0.588 31.876 31.700 -0.686 0.000 0.806 302 V N 4.401 124.223 119.914 -0.154 0.000 2.715 302 V HA 0.266 4.385 4.120 -0.000 0.000 0.310 302 V C -0.437 175.607 176.094 -0.085 0.000 1.054 302 V CA -0.951 61.293 62.300 -0.093 0.000 0.928 302 V CB 2.300 34.110 31.823 -0.022 0.000 1.007 302 V HN 0.142 nan 8.190 nan 0.000 0.437 303 V N 6.964 126.834 119.914 -0.074 0.000 2.341 303 V HA 0.154 4.274 4.120 -0.000 0.000 0.248 303 V C 1.006 177.090 176.094 -0.016 0.000 1.107 303 V CA 0.373 62.641 62.300 -0.053 0.000 1.069 303 V CB -0.043 31.749 31.823 -0.052 0.000 1.177 303 V HN 1.041 nan 8.190 nan 0.000 0.492 304 D N 2.964 123.368 120.400 0.008 0.000 2.348 304 D HA 0.048 4.688 4.640 -0.000 0.000 0.211 304 D C 1.452 177.774 176.300 0.036 0.000 0.998 304 D CA 0.713 54.732 54.000 0.031 0.000 0.873 304 D CB 0.192 41.029 40.800 0.061 0.000 0.925 304 D HN 0.741 nan 8.370 nan 0.000 0.524 305 G N 1.142 109.964 108.800 0.037 0.000 2.246 305 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.273 305 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.273 305 G C 0.192 175.123 174.900 0.052 0.000 1.055 305 G CA 0.773 45.895 45.100 0.036 0.000 0.851 305 G HN 0.570 nan 8.290 nan 0.000 0.500 306 D N -2.405 118.046 120.400 0.085 0.000 2.548 306 D HA 0.125 4.765 4.640 -0.000 0.000 0.223 306 D C 1.438 177.827 176.300 0.148 0.000 1.346 306 D CA 0.586 54.640 54.000 0.090 0.000 1.318 306 D CB -0.592 40.256 40.800 0.079 0.000 1.669 306 D HN 0.124 nan 8.370 nan 0.000 0.416 307 F N 1.484 121.443 119.950 0.013 0.000 2.123 307 F HA 0.426 4.953 4.527 -0.000 0.000 0.289 307 F C 0.401 176.207 175.800 0.011 0.000 1.099 307 F CA 0.759 58.770 58.000 0.019 0.000 1.234 307 F CB -0.081 38.929 39.000 0.017 0.000 1.034 307 F HN -0.046 nan 8.300 nan 0.000 0.479 308 L N 1.400 122.772 121.223 0.249 0.000 2.321 308 L HA 0.180 4.520 4.340 -0.000 0.000 0.272 308 L C 1.413 178.322 176.870 0.065 0.000 1.050 308 L CA -0.302 54.588 54.840 0.083 0.000 0.893 308 L CB 0.984 42.998 42.059 -0.073 0.000 1.272 308 L HN 0.122 nan 8.230 nan 0.000 0.435 309 S N 0.503 116.249 115.700 0.076 0.000 2.420 309 S HA -0.102 4.368 4.470 -0.000 0.000 0.237 309 S C 0.559 175.173 174.600 0.024 0.000 1.023 309 S CA 0.805 59.034 58.200 0.048 0.000 0.991 309 S CB 0.056 63.283 63.200 0.044 0.000 0.792 309 S HN 0.700 nan 8.310 nan 0.000 0.488 310 D N -0.049 120.359 120.400 0.015 0.000 2.692 310 D HA 0.242 4.882 4.640 -0.000 0.000 0.303 310 D C -0.737 175.553 176.300 -0.016 0.000 1.278 310 D CA -0.069 53.930 54.000 -0.001 0.000 0.852 310 D CB 1.710 42.511 40.800 0.003 0.000 1.375 310 D HN 0.222 nan 8.370 nan 0.000 0.453 311 T N -0.800 113.737 114.554 -0.028 0.000 2.937 311 T HA 0.145 4.494 4.350 -0.000 0.000 0.316 311 T C -1.772 172.900 174.700 -0.046 0.000 1.079 311 T CA -0.587 61.483 62.100 -0.049 0.000 1.131 311 T CB 0.905 69.743 68.868 -0.051 0.000 1.000 311 T HN 0.110 nan 8.240 nan 0.000 0.549 312 P HA -0.122 nan 4.420 nan 0.000 0.216 312 P C 1.444 178.722 177.300 -0.037 0.000 1.150 312 P CA 1.308 64.366 63.100 -0.069 0.000 0.843 312 P CB 0.061 31.685 31.700 -0.127 0.000 0.787 313 E N -0.411 119.761 120.200 -0.047 0.000 2.038 313 E HA -0.191 4.158 4.350 -0.000 0.000 0.195 313 E C 2.149 178.752 176.600 0.005 0.000 1.000 313 E CA 1.375 57.759 56.400 -0.026 0.000 0.803 313 E CB -0.718 28.960 29.700 -0.037 0.000 0.750 313 E HN 0.159 nan 8.360 nan 0.000 0.448 314 A N 1.723 124.545 122.820 0.003 0.000 1.883 314 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 314 A C 2.223 179.831 177.584 0.040 0.000 1.186 314 A CA 1.122 53.169 52.037 0.017 0.000 0.624 314 A CB -0.599 18.405 19.000 0.007 0.000 0.822 314 A HN 0.114 nan 8.150 nan 0.000 0.444 315 L N -0.317 120.934 121.223 0.046 0.000 1.989 315 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 315 L C 2.592 179.563 176.870 0.168 0.000 1.071 315 L CA 1.890 56.781 54.840 0.085 0.000 0.749 315 L CB -1.298 40.812 42.059 0.085 0.000 0.890 315 L HN 0.424 nan 8.230 nan 0.000 0.431 316 I N -0.186 120.477 120.570 0.155 0.000 2.208 316 I HA -0.364 3.805 4.170 -0.000 0.000 0.245 316 I C 2.290 178.547 176.117 0.233 0.000 1.097 316 I CA 1.519 62.943 61.300 0.206 0.000 1.363 316 I CB -0.399 37.632 38.000 0.053 0.000 1.051 316 I HN 0.465 nan 8.210 nan 0.000 0.413 317 N N -0.114 118.663 118.700 0.128 0.000 2.289 317 N HA -0.182 4.558 4.740 -0.000 0.000 0.184 317 N C 1.462 177.031 175.510 0.098 0.000 1.016 317 N CA 1.767 54.877 53.050 0.100 0.000 0.872 317 N CB 0.215 38.735 38.487 0.054 0.000 0.973 317 N HN 0.464 nan 8.380 nan 0.000 0.433 318 T N -4.582 110.024 114.554 0.086 0.000 2.969 318 T HA 0.251 4.601 4.350 -0.000 0.000 0.258 318 T C 0.834 175.483 174.700 -0.086 0.000 0.962 318 T CA -0.201 61.909 62.100 0.017 0.000 0.903 318 T CB 0.201 69.068 68.868 -0.001 0.000 1.177 318 T HN 0.062 nan 8.240 nan 0.000 0.511 319 G N 1.571 110.279 108.800 -0.153 0.000 2.491 319 G HA2 0.300 4.260 3.960 -0.000 0.000 0.238 319 G HA3 0.300 4.260 3.960 -0.000 0.000 0.238 319 G C -0.599 173.680 174.900 -1.036 0.000 1.277 319 G CA -0.262 44.487 45.100 -0.584 0.000 0.851 319 G HN 0.361 nan 8.290 nan 0.000 0.573 320 D N 1.042 120.983 120.400 -0.766 0.000 2.312 320 D HA 0.188 4.828 4.640 -0.000 0.000 0.252 320 D C -0.134 175.735 176.300 -0.718 0.000 1.150 320 D CA -0.190 53.488 54.000 -0.536 0.000 0.870 320 D CB 0.739 41.385 40.800 -0.257 0.000 1.153 320 D HN 0.150 nan 8.370 nan 0.000 0.457 321 F N 0.785 120.751 119.950 0.026 0.000 2.767 321 F HA 0.115 4.642 4.527 -0.000 0.000 0.323 321 F C 1.370 177.192 175.800 0.037 0.000 1.091 321 F CA -0.454 57.568 58.000 0.036 0.000 1.192 321 F CB -0.024 39.007 39.000 0.052 0.000 1.056 321 F HN 0.309 nan 8.300 nan 0.000 0.571 322 Q N 3.110 122.996 119.800 0.144 0.000 2.465 322 Q HA 0.035 4.375 4.340 -0.000 0.000 0.237 322 Q C -0.234 175.810 176.000 0.073 0.000 1.288 322 Q CA 1.180 57.044 55.803 0.103 0.000 0.888 322 Q CB -0.431 28.345 28.738 0.063 0.000 1.570 322 Q HN 0.728 nan 8.270 nan 0.000 0.532 323 D N 2.218 122.673 120.400 0.092 0.000 4.383 323 D HA -0.097 4.543 4.640 -0.000 0.000 0.154 323 D C -0.647 175.701 176.300 0.081 0.000 0.416 323 D CA -0.255 53.782 54.000 0.060 0.000 0.604 323 D CB -1.008 39.807 40.800 0.025 0.000 1.641 323 D HN 0.406 nan 8.370 nan 0.000 0.062 324 L N 1.331 122.635 121.223 0.135 0.000 2.322 324 L HA 0.491 4.831 4.340 -0.000 0.000 0.281 324 L C -0.883 176.098 176.870 0.185 0.000 1.014 324 L CA -0.412 54.528 54.840 0.166 0.000 0.815 324 L CB 1.870 44.063 42.059 0.223 0.000 1.247 324 L HN -0.126 nan 8.230 nan 0.000 0.421 325 Q N 2.721 122.643 119.800 0.203 0.000 2.256 325 Q HA 0.640 4.980 4.340 -0.000 0.000 0.257 325 Q C -1.188 175.119 176.000 0.512 0.000 0.936 325 Q CA -0.251 55.733 55.803 0.303 0.000 0.903 325 Q CB 2.543 31.312 28.738 0.052 0.000 1.263 325 Q HN 0.380 nan 8.270 nan 0.000 0.440 326 V N 2.601 122.788 119.914 0.456 0.000 2.925 326 V HA 0.491 4.611 4.120 -0.000 0.000 0.311 326 V C -1.117 174.920 176.094 -0.094 0.000 1.104 326 V CA -0.852 61.565 62.300 0.194 0.000 0.954 326 V CB 2.307 34.187 31.823 0.095 0.000 1.022 326 V HN 0.636 nan 8.190 nan 0.000 0.427 327 L N 4.699 125.680 121.223 -0.404 0.000 2.356 327 L HA 0.829 5.169 4.340 -0.000 0.000 0.277 327 L C -1.279 175.537 176.870 -0.090 0.000 0.996 327 L CA -0.566 53.997 54.840 -0.461 0.000 0.822 327 L CB 1.859 43.281 42.059 -1.063 0.000 1.256 327 L HN 0.623 nan 8.230 nan 0.000 0.413 328 V N 1.444 121.401 119.914 0.073 0.000 2.841 328 V HA 1.005 5.125 4.120 -0.000 0.000 0.310 328 V C -0.090 176.016 176.094 0.019 0.000 1.090 328 V CA -0.445 61.891 62.300 0.061 0.000 0.930 328 V CB 1.355 33.141 31.823 -0.061 0.000 1.014 328 V HN 0.855 nan 8.190 nan 0.000 0.425 329 G N 1.194 109.897 108.800 -0.161 0.000 2.645 329 G HA2 0.734 4.694 3.960 -0.000 0.000 0.292 329 G HA3 0.734 4.694 3.960 -0.000 0.000 0.292 329 G C -1.958 172.657 174.900 -0.474 0.000 1.415 329 G CA -0.663 43.888 45.100 -0.914 0.000 0.785 329 G HN 0.916 nan 8.290 nan 0.000 0.483 330 V N -0.266 119.357 119.914 -0.485 0.000 2.971 330 V HA 0.683 4.803 4.120 -0.000 0.000 0.309 330 V C 0.185 176.307 176.094 0.047 0.000 1.130 330 V CA -0.754 61.475 62.300 -0.117 0.000 0.964 330 V CB 1.864 33.617 31.823 -0.116 0.000 1.029 330 V HN 1.228 nan 8.190 nan 0.000 0.427 331 V N 1.047 121.067 119.914 0.177 0.000 2.644 331 V HA 0.507 4.627 4.120 -0.000 0.000 0.295 331 V C 1.240 177.460 176.094 0.209 0.000 1.053 331 V CA -0.155 62.320 62.300 0.292 0.000 0.987 331 V CB 1.191 33.208 31.823 0.323 0.000 1.006 331 V HN 0.887 nan 8.190 nan 0.000 0.472 332 K N 2.061 122.593 120.400 0.221 0.000 1.981 332 K HA -0.203 4.117 4.320 -0.000 0.000 0.228 332 K C 0.325 177.003 176.600 0.130 0.000 1.050 332 K CA 2.579 58.958 56.287 0.153 0.000 1.001 332 K CB -0.283 32.302 32.500 0.142 0.000 0.738 332 K HN 0.973 nan 8.250 nan 0.000 0.447 333 D N 1.388 121.868 120.400 0.133 0.000 2.494 333 D HA 0.045 4.685 4.640 -0.000 0.000 0.217 333 D C 0.565 176.933 176.300 0.113 0.000 1.153 333 D CA -0.106 53.960 54.000 0.110 0.000 0.954 333 D CB 1.220 42.076 40.800 0.094 0.000 1.034 333 D HN 0.205 nan 8.370 nan 0.000 0.518 334 E N 1.381 121.642 120.200 0.100 0.000 2.001 334 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 334 E C 2.358 179.026 176.600 0.112 0.000 0.994 334 E CA 0.737 57.195 56.400 0.096 0.000 0.815 334 E CB -0.453 29.259 29.700 0.021 0.000 0.770 334 E HN 0.521 nan 8.360 nan 0.000 0.453 335 G N 1.805 110.643 108.800 0.063 0.000 2.516 335 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.221 335 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.221 335 G C 1.743 176.742 174.900 0.165 0.000 1.107 335 G CA 1.530 46.691 45.100 0.103 0.000 0.747 335 G HN 0.341 nan 8.290 nan 0.000 0.567 336 S N 0.155 115.919 115.700 0.108 0.000 2.359 336 S HA -0.328 4.142 4.470 -0.000 0.000 0.223 336 S C 2.071 176.638 174.600 -0.055 0.000 1.039 336 S CA 1.504 59.729 58.200 0.042 0.000 1.042 336 S CB -0.892 62.284 63.200 -0.040 0.000 0.915 336 S HN 0.484 nan 8.310 nan 0.000 0.439 337 Y N 2.341 122.510 120.300 -0.219 0.000 2.096 337 Y HA -0.262 4.288 4.550 -0.000 0.000 0.278 337 Y C 1.827 177.527 175.900 -0.334 0.000 1.192 337 Y CA 2.032 59.849 58.100 -0.472 0.000 1.143 337 Y CB -0.695 37.414 38.460 -0.586 0.000 0.963 337 Y HN 0.285 nan 8.280 nan 0.000 0.505 338 F N -0.722 119.264 119.950 0.059 0.000 2.661 338 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 338 F C 1.886 177.729 175.800 0.072 0.000 1.137 338 F CA 0.472 58.537 58.000 0.108 0.000 1.454 338 F CB -0.717 38.294 39.000 0.019 0.000 1.103 338 F HN 0.034 nan 8.300 nan 0.000 0.577 339 L N -0.756 120.491 121.223 0.041 0.000 2.131 339 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 339 L C 2.128 178.986 176.870 -0.020 0.000 1.092 339 L CA 0.643 55.371 54.840 -0.187 0.000 0.759 339 L CB -0.848 40.756 42.059 -0.758 0.000 0.903 339 L HN -0.015 nan 8.230 nan 0.000 0.435 340 V N -1.499 118.411 119.914 -0.007 0.000 3.241 340 V HA -0.225 3.895 4.120 -0.000 0.000 0.269 340 V C 1.239 177.193 176.094 -0.233 0.000 1.151 340 V CA 1.061 63.337 62.300 -0.041 0.000 1.158 340 V CB -0.914 30.863 31.823 -0.078 0.000 0.764 340 V HN 0.373 nan 8.190 nan 0.000 0.508 341 Y N 0.657 120.943 120.300 -0.024 0.000 2.496 341 Y HA 0.465 5.015 4.550 -0.000 0.000 0.313 341 Y C 1.619 177.504 175.900 -0.025 0.000 1.184 341 Y CA 0.454 58.529 58.100 -0.043 0.000 1.275 341 Y CB 0.095 38.526 38.460 -0.049 0.000 1.103 341 Y HN 0.275 nan 8.280 nan 0.000 0.513 342 G N -0.741 108.098 108.800 0.066 0.000 2.148 342 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.120 342 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.120 342 G C -0.824 174.130 174.900 0.090 0.000 1.034 342 G CA -0.531 44.607 45.100 0.063 0.000 0.710 342 G HN 0.031 nan 8.290 nan 0.000 0.495 343 V N 3.136 123.136 119.914 0.143 0.000 2.333 343 V HA 0.448 4.567 4.120 -0.000 0.000 0.274 343 V C -1.403 174.861 176.094 0.283 0.000 1.028 343 V CA -1.746 60.670 62.300 0.193 0.000 0.851 343 V CB 1.493 33.424 31.823 0.179 0.000 1.000 343 V HN 0.260 nan 8.190 nan 0.000 0.456 344 P HA -0.021 nan 4.420 nan 0.000 0.263 344 P C 1.006 178.294 177.300 -0.020 0.000 1.162 344 P CA 1.699 64.837 63.100 0.064 0.000 0.758 344 P CB 0.521 32.237 31.700 0.027 0.000 0.773 345 G N 2.563 111.311 108.800 -0.087 0.000 2.420 345 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.221 345 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.221 345 G C 0.005 174.722 174.900 -0.304 0.000 1.117 345 G CA -0.296 44.649 45.100 -0.259 0.000 0.657 345 G HN 0.443 nan 8.290 nan 0.000 0.512 346 F N 2.147 122.079 119.950 -0.029 0.000 2.518 346 F HA 0.595 5.122 4.527 -0.000 0.000 0.359 346 F C 0.947 176.801 175.800 0.090 0.000 1.118 346 F CA 0.894 58.906 58.000 0.020 0.000 1.287 346 F CB 1.583 40.634 39.000 0.084 0.000 1.132 346 F HN 0.315 nan 8.300 nan 0.000 0.587 347 S N 1.309 117.229 115.700 0.366 0.000 2.547 347 S HA 0.304 4.774 4.470 -0.000 0.000 0.270 347 S C 0.038 174.859 174.600 0.369 0.000 1.150 347 S CA -0.941 57.428 58.200 0.281 0.000 0.850 347 S CB 1.319 64.608 63.200 0.147 0.000 1.118 347 S HN 0.742 nan 8.310 nan 0.000 0.461 348 K N 1.079 121.589 120.400 0.184 0.000 2.444 348 K HA 0.244 4.564 4.320 -0.000 0.000 0.193 348 K C -0.257 176.320 176.600 -0.038 0.000 1.024 348 K CA 0.454 56.769 56.287 0.046 0.000 1.077 348 K CB -0.010 32.349 32.500 -0.236 0.000 0.833 348 K HN 0.449 nan 8.250 nan 0.000 0.517 349 D N 1.347 121.752 120.400 0.007 0.000 2.368 349 D HA 0.044 4.684 4.640 -0.000 0.000 0.218 349 D C -0.606 175.722 176.300 0.047 0.000 1.112 349 D CA 0.058 54.045 54.000 -0.022 0.000 0.834 349 D CB 0.160 40.932 40.800 -0.046 0.000 0.953 349 D HN 0.458 nan 8.370 nan 0.000 0.505 350 N N -1.648 117.132 118.700 0.134 0.000 3.127 350 N HA -0.007 4.733 4.740 -0.000 0.000 0.239 350 N C 0.216 175.844 175.510 0.197 0.000 1.407 350 N CA -0.574 52.548 53.050 0.120 0.000 0.891 350 N CB 0.750 39.260 38.487 0.039 0.000 1.447 350 N HN -0.342 nan 8.380 nan 0.000 0.507 351 E N -0.021 120.228 120.200 0.083 0.000 2.284 351 E HA -0.126 4.224 4.350 -0.000 0.000 0.200 351 E C -0.531 175.794 176.600 -0.458 0.000 1.008 351 E CA 1.360 57.731 56.400 -0.047 0.000 0.829 351 E CB -0.356 29.307 29.700 -0.061 0.000 0.744 351 E HN 0.593 nan 8.360 nan 0.000 0.491 352 S N 0.146 115.654 115.700 -0.320 0.000 3.697 352 S HA -0.161 4.309 4.470 -0.000 0.000 0.388 352 S C -0.440 173.794 174.600 -0.610 0.000 0.941 352 S CA -0.106 57.788 58.200 -0.510 0.000 1.247 352 S CB -0.846 61.959 63.200 -0.659 0.000 0.904 352 S HN 0.132 nan 8.310 nan 0.000 0.518 353 L N 1.996 122.988 121.223 -0.384 0.000 2.295 353 L HA 0.508 4.848 4.340 -0.000 0.000 0.288 353 L C 0.360 177.050 176.870 -0.301 0.000 1.079 353 L CA 0.326 54.985 54.840 -0.302 0.000 0.830 353 L CB 0.422 42.369 42.059 -0.187 0.000 1.200 353 L HN 0.625 nan 8.230 nan 0.000 0.438 354 I N 2.378 122.744 120.570 -0.340 0.000 2.677 354 I HA 0.386 4.556 4.170 -0.000 0.000 0.305 354 I C 0.466 176.502 176.117 -0.136 0.000 0.988 354 I CA -0.229 60.901 61.300 -0.283 0.000 1.260 354 I CB 1.497 39.271 38.000 -0.376 0.000 1.410 354 I HN 0.728 nan 8.210 nan 0.000 0.523 355 S N 5.323 120.971 115.700 -0.086 0.000 2.690 355 S HA 0.374 4.844 4.470 -0.000 0.000 0.291 355 S C 0.769 175.378 174.600 0.015 0.000 1.138 355 S CA -0.734 57.441 58.200 -0.041 0.000 1.013 355 S CB 1.649 64.827 63.200 -0.037 0.000 1.053 355 S HN 0.792 nan 8.310 nan 0.000 0.539 356 R N 0.291 120.792 120.500 0.002 0.000 2.241 356 R HA -0.016 4.324 4.340 -0.000 0.000 0.224 356 R C 2.032 178.388 176.300 0.093 0.000 1.101 356 R CA 1.242 57.358 56.100 0.027 0.000 0.995 356 R CB -0.902 29.372 30.300 -0.043 0.000 0.870 356 R HN 0.819 nan 8.270 nan 0.000 0.463 357 A N 0.579 123.431 122.820 0.054 0.000 1.855 357 A HA -0.198 4.122 4.320 -0.000 0.000 0.215 357 A C 1.986 179.611 177.584 0.068 0.000 1.191 357 A CA 1.408 53.477 52.037 0.052 0.000 0.613 357 A CB -0.417 18.596 19.000 0.021 0.000 0.829 357 A HN 0.477 nan 8.150 nan 0.000 0.442 358 Q N -1.857 117.974 119.800 0.052 0.000 2.123 358 Q HA -0.056 4.284 4.340 -0.000 0.000 0.199 358 Q C 1.860 177.911 176.000 0.085 0.000 0.966 358 Q CA 1.246 57.073 55.803 0.040 0.000 0.845 358 Q CB -0.301 28.426 28.738 -0.019 0.000 0.907 358 Q HN 0.710 nan 8.270 nan 0.000 0.439 359 F N 1.259 121.200 119.950 -0.015 0.000 2.154 359 F HA -0.268 4.259 4.527 -0.000 0.000 0.301 359 F C 1.620 177.441 175.800 0.035 0.000 1.087 359 F CA 1.036 59.044 58.000 0.014 0.000 1.274 359 F CB -0.042 38.954 39.000 -0.005 0.000 1.009 359 F HN 0.008 nan 8.300 nan 0.000 0.485 360 L N 0.362 121.714 121.223 0.215 0.000 2.046 360 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 360 L C 2.719 179.590 176.870 0.002 0.000 1.077 360 L CA 1.955 56.870 54.840 0.126 0.000 0.747 360 L CB -1.365 40.785 42.059 0.151 0.000 0.896 360 L HN 0.232 nan 8.230 nan 0.000 0.432 361 A N -0.872 121.953 122.820 0.007 0.000 1.930 361 A HA -0.048 4.271 4.320 -0.000 0.000 0.217 361 A C 2.403 179.962 177.584 -0.042 0.000 1.175 361 A CA 1.369 53.404 52.037 -0.004 0.000 0.627 361 A CB -1.359 17.649 19.000 0.013 0.000 0.815 361 A HN 0.443 nan 8.150 nan 0.000 0.443 362 G N -0.211 108.539 108.800 -0.083 0.000 2.476 362 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 362 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 362 G C 1.506 176.295 174.900 -0.186 0.000 1.164 362 G CA 1.460 46.490 45.100 -0.117 0.000 0.768 362 G HN 0.341 nan 8.290 nan 0.000 0.560 363 V N 1.227 120.965 119.914 -0.294 0.000 2.427 363 V HA -0.104 4.016 4.120 -0.000 0.000 0.248 363 V C 3.475 179.533 176.094 -0.059 0.000 1.051 363 V CA 2.610 64.790 62.300 -0.200 0.000 1.048 363 V CB -0.986 30.726 31.823 -0.185 0.000 0.666 363 V HN 0.581 nan 8.190 nan 0.000 0.456 364 R N 0.125 120.602 120.500 -0.038 0.000 2.091 364 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 364 R C 2.051 178.353 176.300 0.004 0.000 1.136 364 R CA 2.179 58.279 56.100 0.000 0.000 0.959 364 R CB -1.136 29.169 30.300 0.008 0.000 0.856 364 R HN 0.608 nan 8.270 nan 0.000 0.437 365 I N -0.110 120.456 120.570 -0.007 0.000 2.141 365 I HA -0.059 4.111 4.170 -0.000 0.000 0.236 365 I C 3.000 179.118 176.117 0.002 0.000 1.071 365 I CA 1.345 62.646 61.300 0.002 0.000 1.345 365 I CB -0.705 37.298 38.000 0.006 0.000 1.066 365 I HN 0.462 nan 8.210 nan 0.000 0.406 366 G N 0.707 109.498 108.800 -0.014 0.000 2.505 366 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.220 366 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.220 366 G C 0.953 175.889 174.900 0.059 0.000 1.145 366 G CA 0.772 45.866 45.100 -0.011 0.000 0.761 366 G HN 0.274 nan 8.290 nan 0.000 0.571 367 V N 2.801 122.755 119.914 0.067 0.000 2.260 367 V HA 0.203 4.323 4.120 -0.000 0.000 0.262 367 V C -1.111 175.027 176.094 0.073 0.000 1.163 367 V CA -0.913 61.443 62.300 0.093 0.000 1.194 367 V CB 1.271 33.134 31.823 0.068 0.000 1.339 367 V HN 0.223 nan 8.190 nan 0.000 0.492 368 P HA -0.170 nan 4.420 nan 0.000 0.226 368 P C 1.178 178.503 177.300 0.042 0.000 1.153 368 P CA 1.018 64.144 63.100 0.043 0.000 0.777 368 P CB 0.487 32.203 31.700 0.026 0.000 0.794 369 Q N -0.318 119.518 119.800 0.060 0.000 2.408 369 Q HA 0.157 4.496 4.340 -0.000 0.000 0.205 369 Q C 0.662 176.683 176.000 0.035 0.000 0.919 369 Q CA 0.109 55.938 55.803 0.043 0.000 0.932 369 Q CB -0.279 28.489 28.738 0.050 0.000 1.058 369 Q HN 0.044 nan 8.270 nan 0.000 0.517 370 A N 1.687 124.533 122.820 0.043 0.000 2.362 370 A HA 0.447 4.767 4.320 -0.000 0.000 0.276 370 A C -0.257 177.348 177.584 0.034 0.000 1.153 370 A CA -0.345 51.714 52.037 0.036 0.000 0.813 370 A CB 0.588 19.618 19.000 0.049 0.000 1.081 370 A HN 0.267 nan 8.150 nan 0.000 0.507 371 S N 1.793 117.508 115.700 0.026 0.000 2.562 371 S HA 0.145 4.615 4.470 -0.000 0.000 0.275 371 S C 1.117 175.739 174.600 0.036 0.000 1.281 371 S CA -0.396 57.820 58.200 0.026 0.000 1.045 371 S CB 1.054 64.263 63.200 0.016 0.000 0.962 371 S HN 0.881 nan 8.310 nan 0.000 0.503 372 D N 0.883 121.305 120.400 0.038 0.000 5.591 372 D HA -0.252 4.388 4.640 -0.000 0.000 0.357 372 D C 1.643 177.978 176.300 0.059 0.000 1.674 372 D CA 1.951 55.978 54.000 0.046 0.000 1.017 372 D CB -0.204 40.619 40.800 0.039 0.000 0.725 372 D HN 0.474 nan 8.370 nan 0.000 0.843 373 L N 0.623 121.878 121.223 0.053 0.000 2.012 373 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 373 L C 2.474 179.398 176.870 0.090 0.000 1.073 373 L CA 2.883 57.762 54.840 0.066 0.000 0.748 373 L CB -0.998 41.093 42.059 0.054 0.000 0.891 373 L HN 0.181 nan 8.230 nan 0.000 0.431 374 A N -0.704 122.165 122.820 0.082 0.000 1.902 374 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 374 A C 2.458 180.118 177.584 0.126 0.000 1.181 374 A CA 1.817 53.919 52.037 0.109 0.000 0.623 374 A CB -1.196 17.843 19.000 0.064 0.000 0.818 374 A HN 0.579 nan 8.150 nan 0.000 0.443 375 A N -0.456 122.424 122.820 0.099 0.000 1.940 375 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 375 A C 1.944 179.605 177.584 0.128 0.000 1.176 375 A CA 2.228 54.328 52.037 0.105 0.000 0.631 375 A CB -0.492 18.557 19.000 0.081 0.000 0.814 375 A HN 0.513 nan 8.150 nan 0.000 0.446 376 E N -0.091 120.181 120.200 0.120 0.000 2.051 376 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 376 E C 2.199 178.877 176.600 0.132 0.000 0.991 376 E CA 1.482 57.960 56.400 0.131 0.000 0.799 376 E CB -0.507 29.256 29.700 0.105 0.000 0.748 376 E HN 0.510 nan 8.360 nan 0.000 0.449 377 A N -0.039 122.854 122.820 0.123 0.000 1.948 377 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 377 A C 2.468 180.017 177.584 -0.058 0.000 1.177 377 A CA 1.862 53.947 52.037 0.081 0.000 0.636 377 A CB -0.821 18.333 19.000 0.258 0.000 0.815 377 A HN 0.192 nan 8.150 nan 0.000 0.449 378 V N -0.498 119.445 119.914 0.049 0.000 2.270 378 V HA -0.223 3.896 4.120 -0.000 0.000 0.245 378 V C 2.576 178.822 176.094 0.253 0.000 1.043 378 V CA 1.931 64.278 62.300 0.077 0.000 1.014 378 V CB -0.926 31.019 31.823 0.203 0.000 0.645 378 V HN 0.379 nan 8.190 nan 0.000 0.447 379 V N 0.087 120.174 119.914 0.289 0.000 2.287 379 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 379 V C 2.338 178.620 176.094 0.313 0.000 1.053 379 V CA 2.317 64.852 62.300 0.392 0.000 1.027 379 V CB -0.674 31.368 31.823 0.366 0.000 0.646 379 V HN 0.532 nan 8.190 nan 0.000 0.447 380 L N -0.511 120.899 121.223 0.312 0.000 1.956 380 L HA -0.295 4.045 4.340 -0.000 0.000 0.216 380 L C 2.727 179.756 176.870 0.265 0.000 1.073 380 L CA 2.410 57.503 54.840 0.421 0.000 0.762 380 L CB -0.765 41.389 42.059 0.159 0.000 0.889 380 L HN 0.418 nan 8.230 nan 0.000 0.433 381 H N -0.879 118.132 119.070 -0.098 0.000 2.390 381 H HA -0.227 4.329 4.556 -0.000 0.000 0.298 381 H C 1.810 176.969 175.328 -0.282 0.000 1.106 381 H CA 2.388 58.235 56.048 -0.335 0.000 1.297 381 H CB -0.064 29.201 29.762 -0.830 0.000 1.375 381 H HN 0.513 nan 8.280 nan 0.000 0.509 382 Y N -0.033 120.391 120.300 0.206 0.000 2.478 382 Y HA 0.099 4.648 4.550 -0.000 0.000 0.261 382 Y C 1.006 176.950 175.900 0.074 0.000 1.127 382 Y CA 0.187 58.417 58.100 0.216 0.000 1.288 382 Y CB 0.389 39.041 38.460 0.321 0.000 1.084 382 Y HN -0.051 nan 8.280 nan 0.000 0.530 383 T N 0.982 115.498 114.554 -0.064 0.000 2.907 383 T HA 0.048 4.398 4.350 -0.000 0.000 0.298 383 T C -0.458 173.825 174.700 -0.695 0.000 1.017 383 T CA -0.454 61.330 62.100 -0.528 0.000 1.118 383 T CB 0.748 68.906 68.868 -1.183 0.000 0.948 383 T HN 0.015 nan 8.240 nan 0.000 0.531 384 D N 1.478 121.436 120.400 -0.737 0.000 2.428 384 D HA 0.157 4.797 4.640 -0.000 0.000 0.221 384 D C 0.117 176.077 176.300 -0.567 0.000 1.123 384 D CA -0.914 52.710 54.000 -0.628 0.000 0.869 384 D CB 0.270 40.632 40.800 -0.731 0.000 1.032 384 D HN 0.591 nan 8.370 nan 0.000 0.506 385 W N 3.081 124.271 121.300 -0.183 0.000 2.538 385 W HA -0.033 4.627 4.660 -0.000 0.000 0.254 385 W C 1.860 178.257 176.519 -0.204 0.000 1.249 385 W CA -0.230 57.017 57.345 -0.163 0.000 1.253 385 W CB 0.095 29.474 29.460 -0.135 0.000 1.130 385 W HN 0.411 nan 8.180 nan 0.000 0.618 386 L N 0.063 121.184 121.223 -0.171 0.000 2.567 386 L HA 0.055 4.395 4.340 -0.000 0.000 0.225 386 L C 0.173 176.655 176.870 -0.647 0.000 1.119 386 L CA 1.264 55.875 54.840 -0.383 0.000 0.871 386 L CB -0.252 41.518 42.059 -0.482 0.000 1.036 386 L HN 0.136 nan 8.230 nan 0.000 0.459 387 H N -0.826 118.151 119.070 -0.155 0.000 3.233 387 H HA 0.198 4.754 4.556 -0.000 0.000 0.232 387 H C -1.735 173.443 175.328 -0.249 0.000 1.322 387 H CA -0.927 55.016 56.048 -0.175 0.000 1.043 387 H CB 0.178 29.826 29.762 -0.190 0.000 2.572 387 H HN 0.134 nan 8.280 nan 0.000 0.597 388 P HA -0.191 nan 4.420 nan 0.000 0.219 388 P C 0.727 177.896 177.300 -0.218 0.000 1.145 388 P CA 1.439 64.350 63.100 -0.315 0.000 0.813 388 P CB 0.486 32.018 31.700 -0.281 0.000 0.771 389 E N -0.970 119.164 120.200 -0.110 0.000 2.526 389 E HA 0.031 4.381 4.350 -0.000 0.000 0.208 389 E C 0.046 176.609 176.600 -0.061 0.000 0.997 389 E CA -0.292 56.058 56.400 -0.083 0.000 0.961 389 E CB -0.039 29.631 29.700 -0.050 0.000 1.030 389 E HN 0.164 nan 8.360 nan 0.000 0.483 390 D N 2.833 123.204 120.400 -0.047 0.000 2.368 390 D HA -0.032 4.608 4.640 -0.000 0.000 0.268 390 D C -1.130 175.154 176.300 -0.027 0.000 1.298 390 D CA -1.735 52.242 54.000 -0.039 0.000 0.938 390 D CB 1.031 41.801 40.800 -0.050 0.000 1.101 390 D HN -0.050 nan 8.370 nan 0.000 0.509 391 P HA -0.229 nan 4.420 nan 0.000 0.216 391 P C 1.182 178.439 177.300 -0.073 0.000 1.154 391 P CA 1.367 64.423 63.100 -0.073 0.000 0.865 391 P CB 0.074 31.721 31.700 -0.089 0.000 0.789 392 T N -0.340 114.182 114.554 -0.052 0.000 2.569 392 T HA -0.233 4.117 4.350 -0.000 0.000 0.263 392 T C 1.876 176.570 174.700 -0.009 0.000 1.074 392 T CA 1.653 63.730 62.100 -0.038 0.000 1.176 392 T CB -1.508 67.350 68.868 -0.017 0.000 0.863 392 T HN 0.319 nan 8.240 nan 0.000 0.410 393 H N 1.608 120.647 119.070 -0.052 0.000 2.353 393 H HA -0.075 4.481 4.556 -0.000 0.000 0.298 393 H C 2.248 177.559 175.328 -0.028 0.000 1.103 393 H CA 1.540 57.569 56.048 -0.031 0.000 1.293 393 H CB -0.575 29.155 29.762 -0.054 0.000 1.372 393 H HN 0.308 nan 8.280 nan 0.000 0.501 394 L N 0.306 121.454 121.223 -0.125 0.000 2.079 394 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 394 L C 3.175 180.064 176.870 0.032 0.000 1.081 394 L CA 1.250 56.001 54.840 -0.149 0.000 0.752 394 L CB -0.459 41.543 42.059 -0.095 0.000 0.896 394 L HN 0.237 nan 8.230 nan 0.000 0.433 395 R N 0.528 121.013 120.500 -0.026 0.000 2.075 395 R HA -0.174 4.166 4.340 -0.000 0.000 0.230 395 R C 1.878 178.232 176.300 0.090 0.000 1.140 395 R CA 2.206 58.311 56.100 0.008 0.000 0.928 395 R CB -0.356 29.848 30.300 -0.160 0.000 0.834 395 R HN 0.314 nan 8.270 nan 0.000 0.429 396 D N 0.543 120.951 120.400 0.014 0.000 2.116 396 D HA -0.173 4.467 4.640 -0.000 0.000 0.193 396 D C 1.778 178.091 176.300 0.020 0.000 0.998 396 D CA 1.706 55.733 54.000 0.046 0.000 0.836 396 D CB -0.509 40.309 40.800 0.030 0.000 0.951 396 D HN 0.388 nan 8.370 nan 0.000 0.449 397 A N 0.723 123.486 122.820 -0.095 0.000 1.940 397 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 397 A C 2.115 179.741 177.584 0.070 0.000 1.176 397 A CA 2.101 54.123 52.037 -0.025 0.000 0.631 397 A CB -0.561 18.342 19.000 -0.161 0.000 0.814 397 A HN 0.175 nan 8.150 nan 0.000 0.446 398 M N 0.585 120.300 119.600 0.191 0.000 2.086 398 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 398 M C 2.334 178.598 176.300 -0.060 0.000 1.067 398 M CA 2.454 57.791 55.300 0.062 0.000 1.116 398 M CB -0.978 31.778 32.600 0.260 0.000 1.348 398 M HN 0.483 nan 8.290 nan 0.000 0.407 399 S N 0.063 115.762 115.700 -0.003 0.000 2.382 399 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 399 S C 2.109 176.686 174.600 -0.037 0.000 1.027 399 S CA 1.648 59.837 58.200 -0.018 0.000 0.991 399 S CB -0.771 62.493 63.200 0.108 0.000 0.823 399 S HN 0.611 nan 8.310 nan 0.000 0.469 400 A N 0.998 123.798 122.820 -0.033 0.000 1.933 400 A HA 0.021 4.340 4.320 -0.000 0.000 0.218 400 A C 2.395 179.881 177.584 -0.163 0.000 1.175 400 A CA 1.794 53.811 52.037 -0.033 0.000 0.628 400 A CB -1.114 17.925 19.000 0.064 0.000 0.814 400 A HN 0.522 nan 8.150 nan 0.000 0.444 401 V N -0.396 119.293 119.914 -0.375 0.000 2.407 401 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 401 V C 2.535 178.507 176.094 -0.203 0.000 1.055 401 V CA 1.975 64.072 62.300 -0.339 0.000 1.049 401 V CB -0.770 30.866 31.823 -0.312 0.000 0.662 401 V HN 0.385 nan 8.190 nan 0.000 0.455 402 V N 0.862 120.661 119.914 -0.191 0.000 2.323 402 V HA -0.105 4.015 4.120 -0.000 0.000 0.244 402 V C 2.652 178.561 176.094 -0.307 0.000 1.041 402 V CA 2.070 64.234 62.300 -0.225 0.000 1.025 402 V CB -1.400 30.334 31.823 -0.147 0.000 0.656 402 V HN 0.579 nan 8.190 nan 0.000 0.451 403 G N 0.049 108.734 108.800 -0.193 0.000 2.459 403 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 403 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 403 G C 1.228 175.985 174.900 -0.239 0.000 1.183 403 G CA 1.192 46.188 45.100 -0.175 0.000 0.776 403 G HN 0.503 nan 8.290 nan 0.000 0.552 404 D N -0.133 120.142 120.400 -0.208 0.000 2.084 404 D HA -0.110 4.530 4.640 -0.000 0.000 0.194 404 D C 2.152 178.084 176.300 -0.613 0.000 0.990 404 D CA 1.383 55.219 54.000 -0.273 0.000 0.826 404 D CB -0.681 40.092 40.800 -0.045 0.000 0.971 404 D HN 0.344 nan 8.370 nan 0.000 0.453 405 H N 1.181 119.605 119.070 -1.078 0.000 2.353 405 H HA -0.073 4.483 4.556 -0.000 0.000 0.298 405 H C 1.528 176.419 175.328 -0.729 0.000 1.103 405 H CA 1.790 57.047 56.048 -1.317 0.000 1.293 405 H CB -0.029 28.989 29.762 -1.240 0.000 1.372 405 H HN 0.036 nan 8.280 nan 0.000 0.501 406 N N -0.838 117.405 118.700 -0.762 0.000 2.333 406 N HA -0.024 4.716 4.740 -0.000 0.000 0.183 406 N C 1.948 177.230 175.510 -0.379 0.000 1.030 406 N CA 1.313 53.897 53.050 -0.778 0.000 0.867 406 N CB 0.087 37.645 38.487 -1.548 0.000 1.027 406 N HN 0.236 nan 8.380 nan 0.000 0.435 407 V N 0.894 120.600 119.914 -0.346 0.000 2.785 407 V HA -0.004 4.116 4.120 -0.000 0.000 0.226 407 V C 2.455 178.478 176.094 -0.118 0.000 1.127 407 V CA 0.500 62.720 62.300 -0.133 0.000 1.193 407 V CB -0.743 31.031 31.823 -0.080 0.000 0.926 407 V HN -0.089 nan 8.190 nan 0.000 0.507 408 V N 0.060 119.902 119.914 -0.120 0.000 2.233 408 V HA -0.394 3.726 4.120 -0.000 0.000 0.252 408 V C 2.510 178.546 176.094 -0.096 0.000 1.063 408 V CA 2.628 64.869 62.300 -0.099 0.000 1.032 408 V CB -1.432 30.352 31.823 -0.066 0.000 0.645 408 V HN 0.671 nan 8.190 nan 0.000 0.446 409 c N 0.162 118.698 118.600 -0.107 0.000 2.432 409 c HA -0.045 4.525 4.570 -0.000 0.000 0.277 409 c C 0.746 174.795 174.090 -0.067 0.000 1.249 409 c CA 1.635 57.931 56.329 -0.056 0.000 1.725 409 c CB -1.971 40.514 42.510 -0.041 0.000 2.028 409 c HN 0.473 nan 8.230 nan 0.000 0.477 410 P HA -0.048 nan 4.420 nan 0.000 0.220 410 P C 1.661 178.901 177.300 -0.100 0.000 1.148 410 P CA 1.189 64.226 63.100 -0.105 0.000 0.803 410 P CB -0.118 31.494 31.700 -0.146 0.000 0.782 411 V N 0.534 120.387 119.914 -0.102 0.000 2.237 411 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 411 V C 2.493 178.498 176.094 -0.149 0.000 1.046 411 V CA 2.372 64.600 62.300 -0.119 0.000 1.007 411 V CB -1.764 29.983 31.823 -0.126 0.000 0.638 411 V HN 0.097 nan 8.190 nan 0.000 0.445 412 A N -0.909 121.829 122.820 -0.137 0.000 1.958 412 A HA -0.375 3.945 4.320 -0.000 0.000 0.221 412 A C 2.254 179.795 177.584 -0.070 0.000 1.178 412 A CA 2.578 54.539 52.037 -0.126 0.000 0.642 412 A CB -0.642 18.337 19.000 -0.035 0.000 0.816 412 A HN 0.655 nan 8.150 nan 0.000 0.453 413 Q N -0.965 118.808 119.800 -0.044 0.000 2.020 413 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 413 Q C 2.099 178.074 176.000 -0.042 0.000 0.982 413 Q CA 1.708 57.501 55.803 -0.018 0.000 0.838 413 Q CB -0.275 28.453 28.738 -0.017 0.000 0.899 413 Q HN 0.607 nan 8.270 nan 0.000 0.423 414 L N 0.791 121.964 121.223 -0.084 0.000 2.013 414 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 414 L C 2.251 179.048 176.870 -0.121 0.000 1.073 414 L CA 2.400 57.174 54.840 -0.110 0.000 0.753 414 L CB -0.781 41.200 42.059 -0.131 0.000 0.890 414 L HN 0.266 nan 8.230 nan 0.000 0.432 415 A N -0.421 122.302 122.820 -0.161 0.000 1.908 415 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 415 A C 2.311 179.872 177.584 -0.038 0.000 1.181 415 A CA 1.784 53.685 52.037 -0.225 0.000 0.627 415 A CB -1.682 16.980 19.000 -0.563 0.000 0.818 415 A HN 0.583 nan 8.150 nan 0.000 0.445 416 G N -0.733 108.098 108.800 0.052 0.000 2.484 416 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.215 416 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.215 416 G C 1.675 176.654 174.900 0.131 0.000 1.219 416 G CA 1.151 46.376 45.100 0.209 0.000 0.791 416 G HN 0.487 nan 8.290 nan 0.000 0.550 417 R N -0.528 120.015 120.500 0.072 0.000 2.139 417 R HA 0.005 4.345 4.340 -0.000 0.000 0.243 417 R C 2.427 178.778 176.300 0.084 0.000 1.145 417 R CA 0.846 56.992 56.100 0.077 0.000 0.976 417 R CB -0.539 29.796 30.300 0.059 0.000 0.866 417 R HN 0.349 nan 8.270 nan 0.000 0.449 418 L N -0.659 120.565 121.223 0.001 0.000 2.072 418 L HA 0.096 4.436 4.340 -0.000 0.000 0.205 418 L C 2.150 179.071 176.870 0.084 0.000 1.079 418 L CA 1.934 56.738 54.840 -0.060 0.000 0.752 418 L CB -0.867 41.059 42.059 -0.221 0.000 0.906 418 L HN 0.243 nan 8.230 nan 0.000 0.436 419 A N -0.867 122.024 122.820 0.118 0.000 1.972 419 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 419 A C 2.450 180.109 177.584 0.126 0.000 1.169 419 A CA 1.629 53.754 52.037 0.147 0.000 0.635 419 A CB -0.810 18.322 19.000 0.220 0.000 0.810 419 A HN 0.408 nan 8.150 nan 0.000 0.446 420 A N -0.916 121.980 122.820 0.126 0.000 1.873 420 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 420 A C 1.830 179.487 177.584 0.122 0.000 1.186 420 A CA 1.626 53.728 52.037 0.108 0.000 0.616 420 A CB -0.425 18.636 19.000 0.102 0.000 0.823 420 A HN 0.456 nan 8.150 nan 0.000 0.442 421 Q N -0.661 119.248 119.800 0.180 0.000 2.283 421 Q HA 0.335 4.674 4.340 -0.000 0.000 0.223 421 Q C 1.071 177.186 176.000 0.191 0.000 0.918 421 Q CA 0.755 56.679 55.803 0.203 0.000 0.952 421 Q CB -0.690 28.258 28.738 0.350 0.000 1.030 421 Q HN 0.868 nan 8.270 nan 0.000 0.452 422 G N -1.122 107.764 108.800 0.143 0.000 2.189 422 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.267 422 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.267 422 G C 0.338 175.323 174.900 0.141 0.000 0.975 422 G CA 0.145 45.317 45.100 0.120 0.000 0.644 422 G HN 0.673 nan 8.290 nan 0.000 0.537 423 A N 0.274 123.206 122.820 0.186 0.000 2.425 423 A HA 0.640 4.959 4.320 -0.000 0.000 0.249 423 A C 0.871 178.541 177.584 0.144 0.000 1.084 423 A CA -0.216 51.927 52.037 0.177 0.000 0.781 423 A CB 0.328 19.439 19.000 0.185 0.000 1.019 423 A HN 0.297 nan 8.150 nan 0.000 0.490 424 R N 1.798 122.396 120.500 0.164 0.000 2.345 424 R HA 0.260 4.600 4.340 -0.000 0.000 0.331 424 R C -0.929 175.512 176.300 0.235 0.000 1.067 424 R CA 0.144 56.357 56.100 0.187 0.000 0.962 424 R CB 0.035 30.495 30.300 0.267 0.000 0.987 424 R HN 0.450 nan 8.270 nan 0.000 0.451 425 V N 5.896 125.878 119.914 0.112 0.000 2.459 425 V HA 0.359 4.479 4.120 -0.000 0.000 0.295 425 V C -0.826 175.270 176.094 0.004 0.000 1.029 425 V CA -0.736 61.639 62.300 0.126 0.000 0.874 425 V CB 1.532 33.417 31.823 0.104 0.000 0.985 425 V HN 0.498 nan 8.190 nan 0.000 0.438 426 Y N 2.558 122.888 120.300 0.050 0.000 2.350 426 Y HA 0.783 5.333 4.550 -0.000 0.000 0.338 426 Y C 0.341 176.400 175.900 0.265 0.000 0.961 426 Y CA -0.563 57.604 58.100 0.112 0.000 1.100 426 Y CB 2.058 40.289 38.460 -0.382 0.000 1.179 426 Y HN 0.744 nan 8.280 nan 0.000 0.454 427 A N 3.275 126.459 122.820 0.606 0.000 2.350 427 A HA 0.944 5.264 4.320 -0.000 0.000 0.318 427 A C -1.687 176.273 177.584 0.626 0.000 1.132 427 A CA -0.651 51.634 52.037 0.414 0.000 0.811 427 A CB 1.441 20.480 19.000 0.065 0.000 1.313 427 A HN 0.806 nan 8.150 nan 0.000 0.454 428 Y N -1.702 118.753 120.300 0.259 0.000 2.713 428 Y HA 0.716 5.266 4.550 -0.000 0.000 0.335 428 Y C -1.431 174.550 175.900 0.135 0.000 1.222 428 Y CA -1.412 56.795 58.100 0.179 0.000 1.061 428 Y CB 1.185 39.756 38.460 0.184 0.000 1.314 428 Y HN 0.800 nan 8.280 nan 0.000 0.453 429 I N 3.061 123.728 120.570 0.161 0.000 2.531 429 I HA 0.408 4.577 4.170 -0.000 0.000 0.283 429 I C -1.881 174.452 176.117 0.359 0.000 1.083 429 I CA -0.822 60.539 61.300 0.102 0.000 1.071 429 I CB 0.754 38.784 38.000 0.051 0.000 1.210 429 I HN 0.721 nan 8.210 nan 0.000 0.450 430 F N 7.625 127.788 119.950 0.355 0.000 2.471 430 F HA 0.291 4.818 4.527 -0.000 0.000 0.365 430 F C 0.678 176.625 175.800 0.244 0.000 1.095 430 F CA 0.379 58.602 58.000 0.372 0.000 1.174 430 F CB 0.671 39.932 39.000 0.435 0.000 1.105 430 F HN 0.528 nan 8.300 nan 0.000 0.535 431 E N 3.820 123.919 120.200 -0.168 0.000 2.569 431 E HA -0.021 4.329 4.350 -0.000 0.000 0.205 431 E C -0.851 175.643 176.600 -0.177 0.000 1.006 431 E CA -0.185 56.165 56.400 -0.083 0.000 0.985 431 E CB 0.091 29.778 29.700 -0.023 0.000 1.060 431 E HN 0.516 nan 8.360 nan 0.000 0.460 432 H N 1.389 120.091 119.070 -0.614 0.000 2.519 432 H HA 0.240 4.796 4.556 -0.000 0.000 0.316 432 H C -0.533 174.812 175.328 0.027 0.000 1.065 432 H CA -0.668 55.140 56.048 -0.400 0.000 1.264 432 H CB 0.523 29.880 29.762 -0.675 0.000 1.413 432 H HN -0.120 nan 8.280 nan 0.000 0.465 433 R N 4.267 124.543 120.500 -0.373 0.000 2.234 433 R HA 0.513 4.853 4.340 -0.000 0.000 0.324 433 R C -0.472 175.535 176.300 -0.488 0.000 1.054 433 R CA -0.527 55.441 56.100 -0.219 0.000 0.912 433 R CB 0.311 30.575 30.300 -0.060 0.000 1.030 433 R HN 0.795 nan 8.270 nan 0.000 0.455 434 A N 2.795 125.548 122.820 -0.111 0.000 2.466 434 A HA 0.026 4.345 4.320 -0.000 0.000 0.238 434 A C 1.115 178.806 177.584 0.178 0.000 1.074 434 A CA 0.348 52.498 52.037 0.190 0.000 0.774 434 A CB 0.356 19.668 19.000 0.520 0.000 1.015 434 A HN 0.974 nan 8.150 nan 0.000 0.498 435 S N -0.049 115.824 115.700 0.289 0.000 2.607 435 S HA -0.053 4.417 4.470 -0.000 0.000 0.224 435 S C 1.043 175.732 174.600 0.148 0.000 0.969 435 S CA 1.038 59.360 58.200 0.202 0.000 0.927 435 S CB -0.544 62.792 63.200 0.228 0.000 0.772 435 S HN 1.140 nan 8.310 nan 0.000 0.533 436 T N -1.019 113.640 114.554 0.174 0.000 3.054 436 T HA 0.378 4.728 4.350 -0.000 0.000 0.255 436 T C 0.485 175.216 174.700 0.053 0.000 1.035 436 T CA -0.610 61.530 62.100 0.066 0.000 0.941 436 T CB -0.153 68.707 68.868 -0.013 0.000 1.026 436 T HN 0.132 nan 8.240 nan 0.000 0.533 437 L N 3.690 124.975 121.223 0.104 0.000 2.516 437 L HA 0.176 4.516 4.340 -0.000 0.000 0.288 437 L C 1.704 178.574 176.870 0.001 0.000 1.246 437 L CA 1.163 56.053 54.840 0.084 0.000 0.844 437 L CB 0.667 42.785 42.059 0.098 0.000 1.106 437 L HN 0.509 nan 8.230 nan 0.000 0.509 438 T N -2.031 112.467 114.554 -0.094 0.000 3.000 438 T HA 0.047 4.397 4.350 -0.000 0.000 0.248 438 T C 0.415 175.130 174.700 0.025 0.000 1.034 438 T CA -0.492 61.528 62.100 -0.133 0.000 1.060 438 T CB -0.120 68.471 68.868 -0.462 0.000 0.983 438 T HN 0.380 nan 8.240 nan 0.000 0.482 439 W N 3.731 125.080 121.300 0.082 0.000 2.079 439 W HA 0.373 5.032 4.660 -0.000 0.000 0.354 439 W C -1.859 174.577 176.519 -0.139 0.000 1.302 439 W CA -1.953 55.385 57.345 -0.011 0.000 1.281 439 W CB -0.055 29.302 29.460 -0.171 0.000 1.165 439 W HN -0.008 nan 8.180 nan 0.000 0.603 440 P HA -0.080 nan 4.420 nan 0.000 0.272 440 P C 0.488 177.724 177.300 -0.108 0.000 1.240 440 P CA -0.199 62.854 63.100 -0.078 0.000 0.791 440 P CB 0.852 32.453 31.700 -0.166 0.000 0.978 441 L N 1.664 122.892 121.223 0.008 0.000 2.083 441 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 441 L C 2.272 179.195 176.870 0.087 0.000 1.083 441 L CA 1.414 56.285 54.840 0.052 0.000 0.752 441 L CB -1.537 40.580 42.059 0.097 0.000 0.899 441 L HN 0.597 nan 8.230 nan 0.000 0.433 442 W N -1.499 119.841 121.300 0.067 0.000 2.538 442 W HA -0.152 4.508 4.660 -0.000 0.000 0.254 442 W C 1.465 178.020 176.519 0.060 0.000 1.249 442 W CA 0.484 57.869 57.345 0.066 0.000 1.253 442 W CB -0.883 28.622 29.460 0.075 0.000 1.130 442 W HN 0.230 nan 8.180 nan 0.000 0.618 443 M N 1.137 120.499 119.600 -0.395 0.000 2.541 443 M HA 0.165 4.645 4.480 -0.000 0.000 0.252 443 M C 1.796 178.013 176.300 -0.137 0.000 1.125 443 M CA 1.307 56.332 55.300 -0.459 0.000 1.091 443 M CB -0.332 31.809 32.600 -0.766 0.000 1.420 443 M HN 0.163 nan 8.290 nan 0.000 0.486 444 G N 0.752 109.529 108.800 -0.039 0.000 2.561 444 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.289 444 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.289 444 G C -0.110 174.802 174.900 0.020 0.000 1.169 444 G CA -0.087 45.027 45.100 0.025 0.000 0.980 444 G HN 0.235 nan 8.290 nan 0.000 0.550 445 V N 3.184 123.144 119.914 0.076 0.000 2.220 445 V HA 0.444 4.564 4.120 -0.000 0.000 0.265 445 V C -1.813 174.378 176.094 0.162 0.000 1.078 445 V CA -0.789 61.602 62.300 0.151 0.000 0.872 445 V CB 0.919 32.889 31.823 0.244 0.000 1.121 445 V HN 0.534 nan 8.190 nan 0.000 0.460 446 P HA 0.050 nan 4.420 nan 0.000 0.271 446 P C 0.005 177.482 177.300 0.295 0.000 1.244 446 P CA -0.275 62.866 63.100 0.068 0.000 0.793 446 P CB 0.338 31.894 31.700 -0.239 0.000 0.984 447 H N 0.605 119.730 119.070 0.093 0.000 3.125 447 H HA 0.208 4.764 4.556 -0.000 0.000 0.310 447 H C 1.688 177.007 175.328 -0.014 0.000 0.980 447 H CA 2.002 58.060 56.048 0.016 0.000 1.422 447 H CB -0.917 28.780 29.762 -0.109 0.000 1.432 447 H HN 0.725 nan 8.280 nan 0.000 0.577 448 G N 4.053 112.768 108.800 -0.141 0.000 2.179 448 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 448 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 448 G C 0.313 175.181 174.900 -0.053 0.000 0.977 448 G CA 0.415 45.382 45.100 -0.223 0.000 0.641 448 G HN 0.633 nan 8.290 nan 0.000 0.533 449 Y N 1.372 121.763 120.300 0.152 0.000 2.775 449 Y HA 0.362 4.912 4.550 -0.000 0.000 0.349 449 Y C 1.838 177.838 175.900 0.167 0.000 1.094 449 Y CA 0.473 58.711 58.100 0.230 0.000 1.467 449 Y CB 0.216 38.849 38.460 0.288 0.000 1.272 449 Y HN 0.567 nan 8.280 nan 0.000 0.515 450 E N -1.144 119.064 120.200 0.014 0.000 2.467 450 E HA 0.018 4.368 4.350 -0.000 0.000 0.213 450 E C 1.502 178.010 176.600 -0.152 0.000 0.823 450 E CA 0.366 56.556 56.400 -0.350 0.000 1.233 450 E CB -0.597 28.589 29.700 -0.856 0.000 1.233 450 E HN 0.505 nan 8.360 nan 0.000 0.585 451 I N 2.202 122.723 120.570 -0.080 0.000 2.185 451 I HA -0.298 3.872 4.170 -0.000 0.000 0.246 451 I C 2.698 178.729 176.117 -0.144 0.000 1.088 451 I CA 2.016 63.262 61.300 -0.090 0.000 1.347 451 I CB -0.520 37.444 38.000 -0.059 0.000 1.041 451 I HN 0.163 nan 8.210 nan 0.000 0.415 452 E N 0.817 120.913 120.200 -0.173 0.000 2.136 452 E HA -0.259 4.090 4.350 -0.000 0.000 0.202 452 E C 2.057 178.414 176.600 -0.405 0.000 1.019 452 E CA 2.007 58.222 56.400 -0.309 0.000 0.819 452 E CB -0.079 29.439 29.700 -0.303 0.000 0.739 452 E HN 0.482 nan 8.360 nan 0.000 0.458 453 F N -0.092 119.731 119.950 -0.210 0.000 2.220 453 F HA -0.037 4.490 4.527 -0.000 0.000 0.290 453 F C 2.214 177.824 175.800 -0.317 0.000 1.080 453 F CA 0.236 58.078 58.000 -0.262 0.000 1.318 453 F CB -0.198 38.684 39.000 -0.197 0.000 1.063 453 F HN 0.027 nan 8.300 nan 0.000 0.498 454 I N -0.347 120.115 120.570 -0.180 0.000 2.185 454 I HA -0.332 3.838 4.170 -0.000 0.000 0.246 454 I C 2.170 178.117 176.117 -0.284 0.000 1.088 454 I CA 1.931 62.981 61.300 -0.417 0.000 1.347 454 I CB -1.309 36.377 38.000 -0.523 0.000 1.041 454 I HN 0.099 nan 8.210 nan 0.000 0.415 455 F N 0.846 120.585 119.950 -0.351 0.000 2.604 455 F HA 0.134 4.660 4.527 -0.000 0.000 0.298 455 F C 2.027 177.659 175.800 -0.279 0.000 1.131 455 F CA 0.965 58.788 58.000 -0.294 0.000 1.457 455 F CB -0.540 38.273 39.000 -0.311 0.000 1.095 455 F HN 0.319 nan 8.300 nan 0.000 0.574 456 G N -0.498 108.170 108.800 -0.220 0.000 2.157 456 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.239 456 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.239 456 G C 1.096 175.549 174.900 -0.745 0.000 0.982 456 G CA 0.361 45.244 45.100 -0.362 0.000 0.650 456 G HN 0.290 nan 8.290 nan 0.000 0.527 457 L N 0.805 121.601 121.223 -0.711 0.000 2.051 457 L HA -0.042 4.298 4.340 -0.000 0.000 0.214 457 L C 0.534 177.074 176.870 -0.549 0.000 1.076 457 L CA 3.034 57.409 54.840 -0.775 0.000 0.758 457 L CB -1.121 40.697 42.059 -0.401 0.000 0.890 457 L HN 0.234 nan 8.230 nan 0.000 0.433 458 P HA -0.177 nan 4.420 nan 0.000 0.220 458 P C 1.888 179.097 177.300 -0.152 0.000 1.144 458 P CA 1.124 63.983 63.100 -0.402 0.000 0.800 458 P CB -0.030 31.254 31.700 -0.693 0.000 0.772 459 L N -1.284 119.776 121.223 -0.273 0.000 2.353 459 L HA -0.116 4.224 4.340 -0.000 0.000 0.220 459 L C 0.907 177.800 176.870 0.038 0.000 1.133 459 L CA 0.658 55.434 54.840 -0.105 0.000 0.798 459 L CB -0.781 41.235 42.059 -0.071 0.000 0.922 459 L HN 0.013 nan 8.230 nan 0.000 0.445 460 D N 0.182 120.588 120.400 0.010 0.000 2.352 460 D HA 0.094 4.734 4.640 -0.000 0.000 0.245 460 D C -1.656 174.711 176.300 0.111 0.000 1.224 460 D CA -2.083 52.036 54.000 0.199 0.000 0.879 460 D CB 1.253 42.225 40.800 0.288 0.000 1.057 460 D HN -0.121 nan 8.370 nan 0.000 0.491 461 P HA -0.153 nan 4.420 nan 0.000 0.224 461 P C 1.076 178.402 177.300 0.043 0.000 1.142 461 P CA 0.912 64.053 63.100 0.068 0.000 0.778 461 P CB 0.147 31.884 31.700 0.061 0.000 0.764 462 S N -1.706 114.019 115.700 0.042 0.000 2.414 462 S HA -0.013 4.456 4.470 -0.000 0.000 0.227 462 S C 0.840 175.424 174.600 -0.027 0.000 1.022 462 S CA 0.118 58.324 58.200 0.009 0.000 0.958 462 S CB -1.112 62.096 63.200 0.014 0.000 0.797 462 S HN 0.042 nan 8.310 nan 0.000 0.493 463 L N 2.983 124.190 121.223 -0.026 0.000 2.416 463 L HA 0.227 4.567 4.340 -0.000 0.000 0.272 463 L C 0.437 177.199 176.870 -0.180 0.000 1.161 463 L CA -0.374 54.393 54.840 -0.122 0.000 0.845 463 L CB 0.372 42.383 42.059 -0.079 0.000 1.119 463 L HN 0.325 nan 8.230 nan 0.000 0.464 464 N N 3.135 121.635 118.700 -0.333 0.000 2.458 464 N HA 0.230 4.970 4.740 -0.000 0.000 0.270 464 N C -1.204 173.980 175.510 -0.544 0.000 1.102 464 N CA 0.276 53.146 53.050 -0.299 0.000 0.967 464 N CB 0.657 38.999 38.487 -0.242 0.000 1.078 464 N HN 0.338 nan 8.380 nan 0.000 0.471 465 Y N -1.025 119.276 120.300 0.001 0.000 2.963 465 Y HA 0.218 4.768 4.550 -0.000 0.000 0.322 465 Y C -0.109 175.828 175.900 0.062 0.000 1.553 465 Y CA -0.717 57.405 58.100 0.037 0.000 1.098 465 Y CB 0.709 39.182 38.460 0.023 0.000 2.098 465 Y HN 0.453 nan 8.280 nan 0.000 0.413 466 T N -3.012 111.734 114.554 0.320 0.000 2.893 466 T HA 0.386 4.736 4.350 -0.000 0.000 0.291 466 T C 0.395 175.191 174.700 0.158 0.000 1.028 466 T CA -0.088 62.126 62.100 0.191 0.000 0.995 466 T CB 1.628 70.596 68.868 0.167 0.000 1.051 466 T HN 0.564 nan 8.240 nan 0.000 0.470 467 T N 1.505 116.124 114.554 0.108 0.000 2.624 467 T HA -0.180 4.169 4.350 -0.000 0.000 0.268 467 T C 1.666 176.417 174.700 0.085 0.000 1.041 467 T CA 2.109 64.260 62.100 0.086 0.000 1.159 467 T CB -0.509 68.395 68.868 0.061 0.000 0.863 467 T HN 0.780 nan 8.240 nan 0.000 0.434 468 E N 0.992 121.233 120.200 0.069 0.000 2.049 468 E HA -0.145 4.205 4.350 -0.000 0.000 0.198 468 E C 2.297 178.948 176.600 0.084 0.000 1.007 468 E CA 1.408 57.830 56.400 0.037 0.000 0.809 468 E CB -0.239 29.449 29.700 -0.020 0.000 0.749 468 E HN 0.616 nan 8.360 nan 0.000 0.450 469 E N -0.925 119.360 120.200 0.141 0.000 2.118 469 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 469 E C 2.388 179.158 176.600 0.283 0.000 0.992 469 E CA 1.450 58.030 56.400 0.299 0.000 0.804 469 E CB -0.169 29.775 29.700 0.407 0.000 0.741 469 E HN 0.257 nan 8.360 nan 0.000 0.458 470 R N 1.278 121.873 120.500 0.157 0.000 2.062 470 R HA -0.078 4.262 4.340 -0.000 0.000 0.231 470 R C 2.088 178.441 176.300 0.088 0.000 1.136 470 R CA 1.618 57.770 56.100 0.086 0.000 0.948 470 R CB -1.577 28.767 30.300 0.074 0.000 0.845 470 R HN 0.142 nan 8.270 nan 0.000 0.430 471 I N -0.403 120.228 120.570 0.101 0.000 2.454 471 I HA -0.141 4.029 4.170 -0.000 0.000 0.254 471 I C 2.484 178.678 176.117 0.128 0.000 1.156 471 I CA 1.214 62.565 61.300 0.085 0.000 1.433 471 I CB -0.317 37.726 38.000 0.072 0.000 1.082 471 I HN 0.348 nan 8.210 nan 0.000 0.432 472 F N 2.248 122.189 119.950 -0.015 0.000 2.060 472 F HA -0.146 4.381 4.527 -0.000 0.000 0.295 472 F C 2.545 178.361 175.800 0.026 0.000 1.120 472 F CA 1.301 59.280 58.000 -0.035 0.000 1.205 472 F CB -0.736 38.188 39.000 -0.128 0.000 0.986 472 F HN -0.004 nan 8.300 nan 0.000 0.470 473 A N 0.194 122.989 122.820 -0.042 0.000 1.948 473 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 473 A C 2.245 179.749 177.584 -0.133 0.000 1.177 473 A CA 1.801 53.775 52.037 -0.106 0.000 0.636 473 A CB -0.973 18.025 19.000 -0.004 0.000 0.815 473 A HN 0.536 nan 8.150 nan 0.000 0.449 474 Q N -0.122 119.634 119.800 -0.073 0.000 2.030 474 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 474 Q C 2.304 178.243 176.000 -0.101 0.000 0.986 474 Q CA 2.119 57.883 55.803 -0.066 0.000 0.843 474 Q CB -0.414 28.307 28.738 -0.027 0.000 0.904 474 Q HN 0.774 nan 8.270 nan 0.000 0.420 475 R N -0.407 120.022 120.500 -0.118 0.000 2.083 475 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 475 R C 2.277 178.409 176.300 -0.280 0.000 1.137 475 R CA 1.141 57.112 56.100 -0.214 0.000 0.951 475 R CB -0.267 29.952 30.300 -0.135 0.000 0.851 475 R HN 0.208 nan 8.270 nan 0.000 0.434 476 L N 0.835 121.965 121.223 -0.155 0.000 2.012 476 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 476 L C 2.466 179.400 176.870 0.106 0.000 1.073 476 L CA 1.876 56.749 54.840 0.056 0.000 0.748 476 L CB -1.033 40.900 42.059 -0.210 0.000 0.891 476 L HN 0.414 nan 8.230 nan 0.000 0.431 477 M N -0.694 118.873 119.600 -0.054 0.000 2.082 477 M HA -0.291 4.189 4.480 -0.000 0.000 0.258 477 M C 2.200 178.528 176.300 0.047 0.000 1.069 477 M CA 1.811 57.089 55.300 -0.037 0.000 1.102 477 M CB -0.496 32.055 32.600 -0.082 0.000 1.336 477 M HN 0.186 nan 8.290 nan 0.000 0.404 478 K N -0.330 120.056 120.400 -0.025 0.000 2.020 478 K HA -0.204 4.115 4.320 -0.000 0.000 0.212 478 K C 1.886 178.523 176.600 0.061 0.000 1.050 478 K CA 1.794 58.058 56.287 -0.039 0.000 0.929 478 K CB -0.533 31.881 32.500 -0.144 0.000 0.714 478 K HN 0.235 nan 8.250 nan 0.000 0.443 479 Y N 0.303 120.702 120.300 0.164 0.000 2.040 479 Y HA -0.288 4.261 4.550 -0.000 0.000 0.275 479 Y C 2.396 178.327 175.900 0.053 0.000 1.171 479 Y CA 1.063 59.254 58.100 0.152 0.000 1.123 479 Y CB -0.931 37.733 38.460 0.340 0.000 0.963 479 Y HN 0.250 nan 8.280 nan 0.000 0.493 480 W N 0.771 122.110 121.300 0.064 0.000 2.315 480 W HA -0.308 4.352 4.660 -0.000 0.000 0.323 480 W C 2.683 179.165 176.519 -0.063 0.000 1.233 480 W CA 2.790 60.094 57.345 -0.068 0.000 1.267 480 W CB -1.016 28.333 29.460 -0.185 0.000 1.160 480 W HN 0.285 nan 8.180 nan 0.000 0.474 481 T N -1.902 112.721 114.554 0.115 0.000 2.684 481 T HA -0.269 4.080 4.350 -0.000 0.000 0.267 481 T C 1.460 176.152 174.700 -0.012 0.000 1.036 481 T CA 1.691 63.798 62.100 0.011 0.000 1.148 481 T CB -1.131 67.735 68.868 -0.003 0.000 0.863 481 T HN 0.224 nan 8.240 nan 0.000 0.436 482 N N 0.351 119.054 118.700 0.005 0.000 2.094 482 N HA -0.105 4.635 4.740 -0.000 0.000 0.191 482 N C 1.647 177.103 175.510 -0.090 0.000 1.023 482 N CA 1.616 54.648 53.050 -0.031 0.000 0.857 482 N CB -0.334 38.157 38.487 0.007 0.000 1.013 482 N HN 0.412 nan 8.380 nan 0.000 0.426 483 F N 1.921 121.724 119.950 -0.246 0.000 2.102 483 F HA -0.089 4.437 4.527 -0.000 0.000 0.298 483 F C 2.392 178.052 175.800 -0.233 0.000 1.105 483 F CA 1.328 59.123 58.000 -0.342 0.000 1.239 483 F CB -0.357 38.329 39.000 -0.525 0.000 0.991 483 F HN -0.053 nan 8.300 nan 0.000 0.474 484 A N 0.422 123.191 122.820 -0.085 0.000 2.019 484 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 484 A C 2.234 179.718 177.584 -0.167 0.000 1.164 484 A CA 1.541 53.512 52.037 -0.109 0.000 0.644 484 A CB -0.612 18.361 19.000 -0.045 0.000 0.805 484 A HN 0.500 nan 8.150 nan 0.000 0.449 485 R N -2.245 118.161 120.500 -0.156 0.000 2.254 485 R HA 0.071 4.411 4.340 -0.000 0.000 0.195 485 R C 1.551 177.754 176.300 -0.161 0.000 0.957 485 R CA 1.296 57.318 56.100 -0.130 0.000 1.024 485 R CB 0.058 30.307 30.300 -0.084 0.000 0.952 485 R HN 0.541 nan 8.270 nan 0.000 0.484 486 T N -3.221 111.187 114.554 -0.243 0.000 3.367 486 T HA 0.202 4.552 4.350 -0.000 0.000 0.273 486 T C 0.950 175.436 174.700 -0.357 0.000 0.879 486 T CA 0.890 62.849 62.100 -0.234 0.000 0.952 486 T CB 0.641 69.417 68.868 -0.154 0.000 1.236 486 T HN 0.319 nan 8.240 nan 0.000 0.532 487 G N 1.294 109.738 108.800 -0.593 0.000 2.699 487 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.198 487 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.198 487 G C -0.286 174.265 174.900 -0.582 0.000 1.033 487 G CA 0.251 44.850 45.100 -0.835 0.000 0.728 487 G HN 0.714 nan 8.290 nan 0.000 0.484 488 D N 2.573 122.760 120.400 -0.354 0.000 2.313 488 D HA 0.532 5.171 4.640 -0.000 0.000 0.239 488 D C -1.263 174.853 176.300 -0.307 0.000 1.142 488 D CA -2.116 51.685 54.000 -0.332 0.000 0.847 488 D CB 1.725 42.476 40.800 -0.081 0.000 1.082 488 D HN 0.134 nan 8.370 nan 0.000 0.480 489 P HA 0.042 nan 4.420 nan 0.000 0.271 489 P C -0.980 176.367 177.300 0.078 0.000 1.535 489 P CA -0.031 62.903 63.100 -0.276 0.000 0.820 489 P CB -0.295 30.928 31.700 -0.795 0.000 1.606 490 N N -0.220 118.520 118.700 0.066 0.000 2.272 490 N HA 0.412 5.152 4.740 -0.000 0.000 0.305 490 N C -0.256 175.315 175.510 0.102 0.000 1.103 490 N CA -0.421 52.734 53.050 0.176 0.000 0.791 490 N CB 1.036 39.637 38.487 0.190 0.000 1.356 490 N HN -0.073 nan 8.380 nan 0.000 0.486 491 D N 0.953 121.417 120.400 0.106 0.000 2.357 491 D HA 0.217 4.857 4.640 -0.000 0.000 0.242 491 D C -1.690 174.644 176.300 0.056 0.000 1.153 491 D CA -1.131 52.903 54.000 0.056 0.000 0.918 491 D CB -0.087 40.738 40.800 0.042 0.000 1.181 491 D HN 0.229 nan 8.370 nan 0.000 0.435 492 P HA 0.080 nan 4.420 nan 0.000 0.336 492 P C 1.671 178.995 177.300 0.040 0.000 1.435 492 P CA 1.046 64.166 63.100 0.034 0.000 0.860 492 P CB -0.218 31.495 31.700 0.021 0.000 2.095 493 R N -0.269 120.251 120.500 0.032 0.000 2.105 493 R HA -0.125 4.215 4.340 -0.000 0.000 0.239 493 R C 1.004 177.324 176.300 0.034 0.000 1.135 493 R CA 2.193 58.313 56.100 0.033 0.000 0.967 493 R CB -2.275 28.041 30.300 0.026 0.000 0.861 493 R HN 0.575 nan 8.270 nan 0.000 0.442 494 D N 1.188 121.606 120.400 0.029 0.000 2.455 494 D HA 0.302 4.942 4.640 -0.000 0.000 0.234 494 D C -0.444 175.876 176.300 0.034 0.000 1.224 494 D CA 0.755 54.771 54.000 0.027 0.000 0.999 494 D CB 0.567 41.379 40.800 0.019 0.000 1.072 494 D HN 0.581 nan 8.370 nan 0.000 0.514 495 S N -0.969 114.758 115.700 0.044 0.000 2.556 495 S HA 0.701 5.171 4.470 -0.000 0.000 0.271 495 S C -0.214 174.426 174.600 0.067 0.000 1.135 495 S CA -1.327 56.909 58.200 0.060 0.000 0.858 495 S CB 1.142 64.391 63.200 0.081 0.000 1.114 495 S HN 0.257 nan 8.310 nan 0.000 0.468 496 K N 0.987 121.435 120.400 0.081 0.000 2.237 496 K HA 0.461 4.781 4.320 -0.000 0.000 0.283 496 K C 1.101 177.765 176.600 0.107 0.000 1.080 496 K CA 0.139 56.478 56.287 0.087 0.000 0.965 496 K CB -1.139 31.423 32.500 0.103 0.000 1.098 496 K HN 0.700 nan 8.250 nan 0.000 0.434 497 S N 3.018 118.769 115.700 0.085 0.000 2.434 497 S HA -0.099 4.371 4.470 -0.000 0.000 0.243 497 S C -0.932 173.728 174.600 0.101 0.000 1.045 497 S CA 1.452 59.704 58.200 0.086 0.000 1.019 497 S CB -0.719 62.519 63.200 0.064 0.000 0.811 497 S HN 0.859 nan 8.310 nan 0.000 0.485 498 P HA 0.205 nan 4.420 nan 0.000 0.264 498 P C -0.355 177.038 177.300 0.155 0.000 1.537 498 P CA 0.074 63.237 63.100 0.104 0.000 1.189 498 P CB -0.081 31.668 31.700 0.082 0.000 1.687 499 Q N 1.975 121.873 119.800 0.164 0.000 2.330 499 Q HA 0.053 4.393 4.340 -0.000 0.000 0.279 499 Q C -0.546 175.632 176.000 0.297 0.000 1.024 499 Q CA 0.403 56.344 55.803 0.230 0.000 0.900 499 Q CB 0.224 29.074 28.738 0.187 0.000 1.221 499 Q HN 0.406 nan 8.270 nan 0.000 0.396 500 W N 7.056 128.447 121.300 0.153 0.000 2.546 500 W HA 0.298 4.958 4.660 -0.000 0.000 0.323 500 W C -2.464 174.179 176.519 0.207 0.000 1.272 500 W CA -2.710 54.736 57.345 0.169 0.000 1.404 500 W CB 0.134 29.692 29.460 0.164 0.000 1.411 500 W HN 0.527 nan 8.180 nan 0.000 0.480 501 P HA 0.127 nan 4.420 nan 0.000 0.276 501 P C -2.385 175.036 177.300 0.202 0.000 1.243 501 P CA -1.078 62.186 63.100 0.272 0.000 0.768 501 P CB 0.427 32.219 31.700 0.154 0.000 0.856 502 P HA -0.041 nan 4.420 nan 0.000 0.271 502 P C -0.552 176.697 177.300 -0.085 0.000 1.233 502 P CA -0.154 62.679 63.100 -0.445 0.000 0.764 502 P CB 0.154 31.552 31.700 -0.504 0.000 0.825 503 Y N 4.829 125.076 120.300 -0.088 0.000 2.849 503 Y HA -0.036 4.514 4.550 -0.000 0.000 0.362 503 Y C 0.317 176.217 175.900 0.001 0.000 1.320 503 Y CA 0.679 58.800 58.100 0.035 0.000 1.678 503 Y CB -0.381 38.135 38.460 0.094 0.000 1.220 503 Y HN 0.319 nan 8.280 nan 0.000 0.518 504 T N 1.806 116.206 114.554 -0.257 0.000 2.829 504 T HA 0.193 4.542 4.350 -0.000 0.000 0.282 504 T C 1.248 175.723 174.700 -0.375 0.000 0.990 504 T CA -0.330 61.652 62.100 -0.197 0.000 1.028 504 T CB 1.579 70.375 68.868 -0.119 0.000 0.951 504 T HN 0.650 nan 8.240 nan 0.000 0.460 505 T N 2.448 116.890 114.554 -0.187 0.000 2.653 505 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 505 T C 2.379 176.989 174.700 -0.150 0.000 1.035 505 T CA 1.750 63.767 62.100 -0.138 0.000 1.154 505 T CB -0.752 68.118 68.868 0.003 0.000 0.862 505 T HN 0.843 nan 8.240 nan 0.000 0.441 506 A N 1.428 124.185 122.820 -0.105 0.000 1.865 506 A HA 0.170 4.490 4.320 -0.000 0.000 0.217 506 A C 2.570 180.100 177.584 -0.090 0.000 1.191 506 A CA 1.988 53.981 52.037 -0.072 0.000 0.623 506 A CB -1.049 17.924 19.000 -0.046 0.000 0.826 506 A HN 0.571 nan 8.150 nan 0.000 0.444 507 A N -2.123 120.622 122.820 -0.126 0.000 2.147 507 A HA 0.247 4.567 4.320 -0.000 0.000 0.211 507 A C 0.953 178.448 177.584 -0.149 0.000 1.160 507 A CA 0.810 52.782 52.037 -0.109 0.000 0.781 507 A CB -0.327 18.623 19.000 -0.083 0.000 0.842 507 A HN 0.584 nan 8.150 nan 0.000 0.475 508 Q N -0.428 119.175 119.800 -0.328 0.000 2.411 508 Q HA -0.251 4.089 4.340 -0.000 0.000 0.305 508 Q C -0.742 175.239 176.000 -0.032 0.000 1.273 508 Q CA 0.723 56.258 55.803 -0.447 0.000 0.895 508 Q CB -1.606 27.068 28.738 -0.106 0.000 1.198 508 Q HN 0.864 nan 8.270 nan 0.000 0.470 509 Q N 0.053 119.824 119.800 -0.048 0.000 2.317 509 Q HA 0.662 5.002 4.340 -0.000 0.000 0.229 509 Q C -0.258 175.913 176.000 0.285 0.000 0.984 509 Q CA -0.095 55.712 55.803 0.006 0.000 0.911 509 Q CB 0.486 29.203 28.738 -0.034 0.000 1.217 509 Q HN 0.354 nan 8.270 nan 0.000 0.501 510 Y N -3.490 116.898 120.300 0.147 0.000 2.732 510 Y HA 0.569 5.119 4.550 -0.000 0.000 0.342 510 Y C -1.252 174.622 175.900 -0.044 0.000 1.203 510 Y CA -1.614 56.572 58.100 0.143 0.000 1.092 510 Y CB 0.091 38.671 38.460 0.200 0.000 1.345 510 Y HN 0.524 nan 8.280 nan 0.000 0.458 511 V N -0.607 119.254 119.914 -0.089 0.000 3.267 511 V HA 0.964 5.084 4.120 -0.000 0.000 0.317 511 V C -0.242 175.827 176.094 -0.041 0.000 1.131 511 V CA -0.555 61.586 62.300 -0.264 0.000 1.031 511 V CB 1.370 32.779 31.823 -0.690 0.000 1.159 511 V HN 1.323 nan 8.190 nan 0.000 0.454 512 S N 1.468 117.122 115.700 -0.076 0.000 2.519 512 S HA 0.706 5.176 4.470 -0.000 0.000 0.309 512 S C -0.915 173.685 174.600 0.000 0.000 1.100 512 S CA -0.702 57.515 58.200 0.027 0.000 1.059 512 S CB 1.297 64.515 63.200 0.030 0.000 1.008 512 S HN 0.684 nan 8.310 nan 0.000 0.478 513 L N 4.352 125.625 121.223 0.083 0.000 2.255 513 L HA 0.582 4.922 4.340 -0.000 0.000 0.289 513 L C 0.109 176.943 176.870 -0.060 0.000 1.046 513 L CA 0.264 55.180 54.840 0.127 0.000 0.816 513 L CB -0.254 42.011 42.059 0.343 0.000 1.197 513 L HN 1.119 nan 8.230 nan 0.000 0.427 514 N N 1.656 120.324 118.700 -0.053 0.000 3.227 514 N HA 0.246 4.986 4.740 -0.000 0.000 0.241 514 N C 0.419 175.458 175.510 -0.785 0.000 1.480 514 N CA -0.858 51.867 53.050 -0.542 0.000 0.886 514 N CB 0.519 38.792 38.487 -0.356 0.000 1.406 514 N HN 0.218 nan 8.380 nan 0.000 0.514 515 L N -1.706 118.835 121.223 -1.136 0.000 2.270 515 L HA -0.097 4.243 4.340 -0.000 0.000 0.217 515 L C 0.369 177.051 176.870 -0.314 0.000 1.107 515 L CA 1.245 55.608 54.840 -0.794 0.000 0.772 515 L CB -0.771 40.918 42.059 -0.617 0.000 0.902 515 L HN 0.472 nan 8.230 nan 0.000 0.439 516 K N -0.577 119.689 120.400 -0.223 0.000 2.087 516 K HA 0.345 4.665 4.320 -0.000 0.000 0.255 516 K C -2.190 174.393 176.600 -0.027 0.000 0.988 516 K CA -2.083 54.146 56.287 -0.096 0.000 0.915 516 K CB 0.237 32.688 32.500 -0.080 0.000 1.043 516 K HN -0.283 nan 8.250 nan 0.000 0.457 517 P HA -0.012 nan 4.420 nan 0.000 0.268 517 P C -0.443 176.883 177.300 0.044 0.000 1.208 517 P CA -0.112 63.022 63.100 0.056 0.000 0.777 517 P CB 0.378 32.107 31.700 0.047 0.000 0.875 518 L N 2.134 123.402 121.223 0.075 0.000 2.737 518 L HA -0.118 4.222 4.340 -0.000 0.000 0.279 518 L C 1.068 177.924 176.870 -0.023 0.000 1.200 518 L CA 0.997 55.841 54.840 0.007 0.000 0.952 518 L CB -0.477 41.592 42.059 0.016 0.000 1.240 518 L HN 0.493 nan 8.230 nan 0.000 0.486 519 E N 3.854 124.021 120.200 -0.056 0.000 2.114 519 E HA 0.348 4.698 4.350 -0.000 0.000 0.266 519 E C -0.913 175.625 176.600 -0.103 0.000 0.896 519 E CA -0.724 55.641 56.400 -0.057 0.000 0.750 519 E CB 1.447 31.122 29.700 -0.042 0.000 1.121 519 E HN 0.330 nan 8.360 nan 0.000 0.413 520 V N 4.578 124.427 119.914 -0.109 0.000 2.775 520 V HA 0.396 4.516 4.120 -0.000 0.000 0.299 520 V C 0.427 176.388 176.094 -0.223 0.000 1.062 520 V CA -0.079 62.118 62.300 -0.170 0.000 1.063 520 V CB 1.075 32.831 31.823 -0.112 0.000 0.994 520 V HN 0.724 nan 8.190 nan 0.000 0.483 521 R N 2.610 122.857 120.500 -0.422 0.000 2.774 521 R HA 0.661 5.001 4.340 -0.000 0.000 0.272 521 R C -1.074 174.877 176.300 -0.583 0.000 1.000 521 R CA -1.021 54.806 56.100 -0.456 0.000 0.906 521 R CB 2.529 32.557 30.300 -0.454 0.000 1.227 521 R HN 0.609 nan 8.270 nan 0.000 0.468 522 R N 0.051 120.388 120.500 -0.272 0.000 2.664 522 R HA 0.534 4.874 4.340 -0.000 0.000 0.286 522 R C -0.489 175.875 176.300 0.107 0.000 0.967 522 R CA -0.487 55.553 56.100 -0.101 0.000 0.933 522 R CB 2.010 32.281 30.300 -0.048 0.000 1.146 522 R HN 0.869 nan 8.270 nan 0.000 0.468 523 G N 2.363 111.310 108.800 0.246 0.000 3.168 523 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.268 523 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.268 523 G C -0.520 174.650 174.900 0.450 0.000 0.800 523 G CA -0.566 44.720 45.100 0.309 0.000 0.765 523 G HN 0.532 nan 8.290 nan 0.000 0.368 524 L N 4.315 125.776 121.223 0.396 0.000 2.295 524 L HA 0.377 4.717 4.340 -0.000 0.000 0.288 524 L C 1.324 178.264 176.870 0.116 0.000 1.079 524 L CA -0.906 53.995 54.840 0.101 0.000 0.830 524 L CB 0.143 42.061 42.059 -0.235 0.000 1.200 524 L HN 0.757 nan 8.230 nan 0.000 0.438 525 R N 2.715 123.300 120.500 0.142 0.000 3.502 525 R HA -0.279 4.061 4.340 -0.000 0.000 0.266 525 R C 1.225 177.624 176.300 0.165 0.000 1.077 525 R CA 0.731 56.922 56.100 0.151 0.000 0.718 525 R CB -2.308 28.072 30.300 0.133 0.000 1.120 525 R HN 0.888 nan 8.270 nan 0.000 0.457 526 A N 0.863 123.783 122.820 0.165 0.000 1.894 526 A HA -0.394 3.926 4.320 -0.000 0.000 0.220 526 A C 2.175 179.852 177.584 0.155 0.000 1.237 526 A CA 2.322 54.452 52.037 0.154 0.000 0.660 526 A CB -0.271 18.811 19.000 0.136 0.000 0.835 526 A HN 0.638 nan 8.150 nan 0.000 0.461 527 Q N -0.755 119.138 119.800 0.155 0.000 1.967 527 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 527 Q C 1.926 178.059 176.000 0.222 0.000 0.985 527 Q CA 2.163 58.067 55.803 0.168 0.000 0.839 527 Q CB -1.597 27.230 28.738 0.148 0.000 0.906 527 Q HN 0.501 nan 8.270 nan 0.000 0.423 528 T N 0.461 115.148 114.554 0.222 0.000 2.720 528 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 528 T C 2.011 176.928 174.700 0.362 0.000 1.037 528 T CA 1.415 63.629 62.100 0.191 0.000 1.144 528 T CB -0.661 68.350 68.868 0.237 0.000 0.864 528 T HN 0.416 nan 8.240 nan 0.000 0.444 529 c N 1.554 120.349 118.600 0.326 0.000 2.440 529 c HA 0.146 4.716 4.570 -0.000 0.000 0.278 529 c C 3.217 177.456 174.090 0.248 0.000 1.295 529 c CA 0.111 56.630 56.329 0.318 0.000 1.738 529 c CB -1.464 41.166 42.510 0.200 0.000 1.987 529 c HN 0.659 nan 8.230 nan 0.000 0.492 530 A N 0.577 123.521 122.820 0.207 0.000 1.917 530 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 530 A C 1.873 179.570 177.584 0.189 0.000 1.182 530 A CA 2.087 54.228 52.037 0.173 0.000 0.633 530 A CB -0.868 18.226 19.000 0.156 0.000 0.819 530 A HN 0.567 nan 8.150 nan 0.000 0.448 531 F N -0.706 119.281 119.950 0.062 0.000 2.010 531 F HA -0.183 4.344 4.527 -0.000 0.000 0.296 531 F C 2.010 177.828 175.800 0.030 0.000 1.146 531 F CA 1.663 59.648 58.000 -0.026 0.000 1.181 531 F CB -1.119 37.684 39.000 -0.328 0.000 0.965 531 F HN 0.379 nan 8.300 nan 0.000 0.480 532 W N 1.315 122.312 121.300 -0.505 0.000 2.304 532 W HA -0.263 4.397 4.660 -0.000 0.000 0.328 532 W C 2.639 178.984 176.519 -0.291 0.000 1.242 532 W CA 1.695 58.710 57.345 -0.550 0.000 1.243 532 W CB -1.061 28.302 29.460 -0.161 0.000 1.170 532 W HN 0.047 nan 8.180 nan 0.000 0.460 533 N N -0.041 118.751 118.700 0.153 0.000 2.104 533 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 533 N C 1.667 177.198 175.510 0.035 0.000 1.024 533 N CA 1.625 54.722 53.050 0.078 0.000 0.853 533 N CB -0.478 38.059 38.487 0.084 0.000 1.008 533 N HN 0.314 nan 8.380 nan 0.000 0.424 534 R N -0.632 119.897 120.500 0.049 0.000 2.051 534 R HA 0.097 4.437 4.340 -0.000 0.000 0.218 534 R C 2.019 178.357 176.300 0.063 0.000 1.188 534 R CA 0.358 56.496 56.100 0.064 0.000 0.992 534 R CB -0.493 29.872 30.300 0.110 0.000 0.883 534 R HN 0.075 nan 8.270 nan 0.000 0.444 535 F N 1.789 121.688 119.950 -0.085 0.000 2.037 535 F HA -0.134 4.393 4.527 -0.000 0.000 0.291 535 F C 2.160 177.867 175.800 -0.154 0.000 1.137 535 F CA 1.118 59.074 58.000 -0.074 0.000 1.178 535 F CB -0.559 38.469 39.000 0.048 0.000 0.995 535 F HN -0.098 nan 8.300 nan 0.000 0.472 536 L N 0.972 121.979 121.223 -0.360 0.000 2.082 536 L HA -0.254 4.085 4.340 -0.000 0.000 0.223 536 L C -0.529 176.167 176.870 -0.290 0.000 1.086 536 L CA 2.710 57.292 54.840 -0.430 0.000 0.793 536 L CB -2.348 39.349 42.059 -0.605 0.000 0.896 536 L HN 0.130 nan 8.230 nan 0.000 0.441 537 P HA -0.193 nan 4.420 nan 0.000 0.213 537 P C 1.560 178.752 177.300 -0.180 0.000 1.170 537 P CA 1.719 64.735 63.100 -0.140 0.000 0.902 537 P CB -0.064 31.580 31.700 -0.093 0.000 0.789 538 K N -0.527 119.730 120.400 -0.238 0.000 2.044 538 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 538 K C 2.211 178.632 176.600 -0.299 0.000 1.049 538 K CA 1.242 57.379 56.287 -0.250 0.000 0.927 538 K CB -1.103 31.233 32.500 -0.274 0.000 0.713 538 K HN 0.150 nan 8.250 nan 0.000 0.443 539 L N 0.785 121.724 121.223 -0.474 0.000 2.042 539 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 539 L C 2.331 179.094 176.870 -0.177 0.000 1.076 539 L CA 0.975 55.597 54.840 -0.363 0.000 0.749 539 L CB -0.191 41.628 42.059 -0.400 0.000 0.893 539 L HN 0.164 nan 8.230 nan 0.000 0.432 540 L N -0.663 120.468 121.223 -0.153 0.000 2.046 540 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 540 L C 2.680 179.508 176.870 -0.070 0.000 1.077 540 L CA 1.714 56.504 54.840 -0.084 0.000 0.747 540 L CB -0.798 41.222 42.059 -0.066 0.000 0.896 540 L HN 0.152 nan 8.230 nan 0.000 0.432 541 S N -0.689 114.960 115.700 -0.085 0.000 2.419 541 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 541 S C 1.925 176.491 174.600 -0.057 0.000 1.016 541 S CA 0.987 59.149 58.200 -0.064 0.000 0.974 541 S CB -0.370 62.790 63.200 -0.068 0.000 0.786 541 S HN 0.500 nan 8.310 nan 0.000 0.492 542 A N 0.715 123.492 122.820 -0.071 0.000 2.218 542 A HA 0.297 4.617 4.320 -0.000 0.000 0.209 542 A C 1.003 178.565 177.584 -0.036 0.000 1.168 542 A CA 0.352 52.357 52.037 -0.054 0.000 0.804 542 A CB 0.032 18.992 19.000 -0.067 0.000 0.834 542 A HN 0.416 nan 8.150 nan 0.000 0.482 543 T N 0.000 114.533 114.554 -0.036 0.000 3.816 543 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 543 T CA 0.000 62.089 62.100 -0.019 0.000 1.349 543 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658