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 2ad5_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTTNYIFVTG GVVSSLGKGI AAASLAAILE ARGLNVTIMK LDPYINVDPG DATA SEQUENCE TMSPIQHGEV FVTEDGAETD LDLGHYERFI RTKMSRRNNF TTGRIYSDVL DATA SEQUENCE RKERRGDYLG ATVQVIPHIT NAIKERVLEG GEGHDVVLVE IGGTVGDIES DATA SEQUENCE LPFLEAIRQM AVEIGREHTL FMHLTLVPYM AASGEVKTKP TQHSVKELLS DATA SEQUENCE IGIQPDILIC RSDRAVPANE RAKIALFCNV PEKAVISLKD VDSIYKIPGL DATA SEQUENCE LKSQGLDDYI cKRFSLNcPE ANLSEWEQVI FEEANPVSEV TIGMVGKYIE DATA SEQUENCE LPDAYKSVIE ALKHGGLKNR VSVNIKLIDS QDVETRGVEI LKGLDAILVP DATA SEQUENCE GGFGYRGVEG MITTARFARE NNIPYLGICL GMQVALIDYA RHVANMENAN DATA SEQUENCE STEFVPDCKY PVVALITEWR DENGNVEXXX XXXXXXXTMR LGAQQCQLVD DATA SEQUENCE DSLVRQLYNA PTIVERHRHR YEVNNMLLKQ IEDAGLRVAG RSGDDQLVEI DATA SEQUENCE IEVPNHPWFV ACQFHPEFTS TPRDGHPLFA GFVKAASEFQ KRQA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.244 176.300 -0.093 0.000 1.140 1 M CA 0.000 55.265 55.300 -0.059 0.000 0.988 1 M CB 0.000 32.563 32.600 -0.061 0.000 1.302 2 T N 3.196 117.679 114.554 -0.118 0.000 2.770 2 T HA 0.421 4.743 4.350 -0.046 0.000 0.283 2 T C 0.136 174.689 174.700 -0.245 0.000 0.988 2 T CA -0.141 61.833 62.100 -0.210 0.000 0.957 2 T CB 1.241 69.904 68.868 -0.342 0.000 0.930 2 T HN 0.609 nan 8.240 nan 0.000 0.443 3 T N 5.450 119.852 114.554 -0.253 0.000 2.928 3 T HA 0.114 4.436 4.350 -0.046 0.000 0.305 3 T C 0.485 174.887 174.700 -0.497 0.000 1.035 3 T CA -0.096 61.789 62.100 -0.358 0.000 1.145 3 T CB 0.113 68.768 68.868 -0.355 0.000 0.963 3 T HN 0.487 nan 8.240 nan 0.000 0.545 4 N N 1.533 119.835 118.700 -0.663 0.000 2.335 4 N HA 0.416 5.128 4.740 -0.046 0.000 0.304 4 N C -1.459 173.517 175.510 -0.890 0.000 1.135 4 N CA -0.571 51.997 53.050 -0.803 0.000 0.817 4 N CB 1.857 39.468 38.487 -1.459 0.000 1.294 4 N HN 0.487 nan 8.380 nan 0.000 0.497 5 Y N 0.320 120.341 120.300 -0.465 0.000 2.425 5 Y HA 0.507 5.030 4.550 -0.046 0.000 0.344 5 Y C 0.059 175.637 175.900 -0.537 0.000 0.969 5 Y CA -0.702 57.082 58.100 -0.526 0.000 1.052 5 Y CB 1.863 39.896 38.460 -0.711 0.000 1.215 5 Y HN 0.249 nan 8.280 nan 0.000 0.451 6 I N 4.548 124.884 120.570 -0.390 0.000 2.359 6 I HA 0.249 4.392 4.170 -0.046 0.000 0.284 6 I C -1.187 174.647 176.117 -0.471 0.000 1.018 6 I CA -0.586 60.535 61.300 -0.299 0.000 1.173 6 I CB 0.537 38.490 38.000 -0.078 0.000 1.326 6 I HN 0.419 nan 8.210 nan 0.000 0.462 7 F N 5.923 125.757 119.950 -0.193 0.000 2.445 7 F HA 0.247 4.748 4.527 -0.044 0.000 0.359 7 F C 0.429 176.200 175.800 -0.048 0.000 1.101 7 F CA -0.504 57.382 58.000 -0.190 0.000 1.177 7 F CB 0.893 39.637 39.000 -0.428 0.000 1.110 7 F HN 0.051 nan 8.300 nan 0.000 0.522 8 V N 3.875 123.884 119.914 0.159 0.000 2.333 8 V HA 0.401 4.494 4.120 -0.046 0.000 0.274 8 V C 0.116 176.313 176.094 0.171 0.000 1.028 8 V CA -0.340 62.036 62.300 0.128 0.000 0.851 8 V CB 1.086 32.931 31.823 0.037 0.000 1.000 8 V HN 0.814 nan 8.190 nan 0.000 0.456 9 T N 3.303 117.998 114.554 0.235 0.000 2.924 9 T HA 0.798 5.120 4.350 -0.046 0.000 0.291 9 T C 0.174 174.998 174.700 0.207 0.000 1.045 9 T CA -0.453 61.819 62.100 0.285 0.000 1.015 9 T CB 1.993 71.141 68.868 0.466 0.000 1.103 9 T HN 0.893 nan 8.240 nan 0.000 0.496 10 G N -0.409 108.480 108.800 0.149 0.000 2.620 10 G HA2 0.692 4.624 3.960 -0.046 0.000 0.301 10 G HA3 0.692 4.624 3.960 -0.046 0.000 0.301 10 G C -0.686 174.235 174.900 0.034 0.000 1.347 10 G CA -0.644 44.426 45.100 -0.049 0.000 0.971 10 G HN 0.927 nan 8.290 nan 0.000 0.488 11 G N -1.533 107.195 108.800 -0.120 0.000 2.816 11 G HA2 0.672 4.604 3.960 -0.046 0.000 0.288 11 G HA3 0.672 4.604 3.960 -0.046 0.000 0.288 11 G C 0.572 175.485 174.900 0.021 0.000 1.334 11 G CA 0.170 45.312 45.100 0.071 0.000 0.978 11 G HN 1.570 nan 8.290 nan 0.000 0.493 12 V N -2.486 117.463 119.914 0.058 0.000 0.516 12 V HA -0.319 3.774 4.120 -0.046 0.000 0.092 12 V C 0.972 177.080 176.094 0.023 0.000 2.243 12 V CA 2.742 65.061 62.300 0.033 0.000 3.573 12 V CB -2.266 29.562 31.823 0.008 0.000 0.862 12 V HN 2.136 nan 8.190 nan 0.000 0.902 13 V N -2.890 117.031 119.914 0.011 0.000 3.188 13 V HA 0.955 5.047 4.120 -0.046 0.000 0.305 13 V C -0.261 175.839 176.094 0.010 0.000 1.232 13 V CA -0.000 62.306 62.300 0.011 0.000 1.043 13 V CB 1.935 33.758 31.823 0.001 0.000 1.068 13 V HN 1.493 nan 8.190 nan 0.000 0.439 14 S N 0.509 116.219 115.700 0.016 0.000 2.646 14 S HA 0.695 5.138 4.470 -0.046 0.000 0.276 14 S C 0.428 175.027 174.600 -0.002 0.000 1.222 14 S CA 0.403 58.613 58.200 0.017 0.000 1.014 14 S CB 1.096 64.316 63.200 0.033 0.000 0.991 14 S HN 2.404 nan 8.310 nan 0.000 0.533 15 S N 0.460 116.155 115.700 -0.008 0.000 3.305 15 S HA -0.105 4.337 4.470 -0.046 0.000 0.279 15 S C 0.650 175.232 174.600 -0.031 0.000 1.292 15 S CA 0.657 58.843 58.200 -0.023 0.000 0.914 15 S CB -2.354 60.831 63.200 -0.026 0.000 1.125 15 S HN 0.709 nan 8.310 nan 0.000 0.668 16 L N 0.692 121.896 121.223 -0.032 0.000 2.201 16 L HA 0.134 4.446 4.340 -0.046 0.000 0.212 16 L C 1.755 178.588 176.870 -0.061 0.000 1.105 16 L CA 1.213 56.024 54.840 -0.048 0.000 0.775 16 L CB -0.381 41.643 42.059 -0.058 0.000 0.913 16 L HN 0.799 nan 8.230 nan 0.000 0.440 17 G N -0.202 108.562 108.800 -0.059 0.000 2.288 17 G HA2 -0.201 3.731 3.960 -0.046 0.000 0.205 17 G HA3 -0.201 3.731 3.960 -0.046 0.000 0.205 17 G C 0.640 175.486 174.900 -0.090 0.000 1.071 17 G CA 0.122 45.171 45.100 -0.086 0.000 0.788 17 G HN 0.263 nan 8.290 nan 0.000 0.491 18 K N -0.135 120.233 120.400 -0.053 0.000 2.057 18 K HA 0.013 4.306 4.320 -0.046 0.000 0.206 18 K C 2.814 179.395 176.600 -0.031 0.000 1.050 18 K CA 1.192 57.456 56.287 -0.038 0.000 0.935 18 K CB -0.204 32.298 32.500 0.004 0.000 0.715 18 K HN 0.439 nan 8.250 nan 0.000 0.439 19 G N 2.119 110.923 108.800 0.007 0.000 2.514 19 G HA2 -0.277 3.656 3.960 -0.046 0.000 0.217 19 G HA3 -0.277 3.656 3.960 -0.046 0.000 0.217 19 G C 1.533 176.408 174.900 -0.042 0.000 1.198 19 G CA 1.073 46.227 45.100 0.091 0.000 0.780 19 G HN 0.091 nan 8.290 nan 0.000 0.565 20 I N 1.861 122.300 120.570 -0.217 0.000 2.127 20 I HA -0.160 3.982 4.170 -0.046 0.000 0.241 20 I C 3.285 179.169 176.117 -0.388 0.000 1.075 20 I CA 1.454 62.512 61.300 -0.403 0.000 1.334 20 I CB -0.398 37.357 38.000 -0.407 0.000 1.040 20 I HN 0.243 nan 8.210 nan 0.000 0.405 21 A N 0.366 123.037 122.820 -0.249 0.000 1.903 21 A HA -0.289 4.003 4.320 -0.046 0.000 0.219 21 A C 2.511 179.959 177.584 -0.227 0.000 1.191 21 A CA 2.475 54.383 52.037 -0.214 0.000 0.638 21 A CB -1.272 17.645 19.000 -0.138 0.000 0.823 21 A HN 0.461 nan 8.150 nan 0.000 0.451 22 A N -0.366 122.339 122.820 -0.191 0.000 1.858 22 A HA 0.150 4.442 4.320 -0.046 0.000 0.216 22 A C 2.578 179.983 177.584 -0.298 0.000 1.190 22 A CA 2.406 54.319 52.037 -0.206 0.000 0.617 22 A CB -1.242 17.652 19.000 -0.176 0.000 0.827 22 A HN 1.211 nan 8.150 nan 0.000 0.443 23 A N -0.067 122.537 122.820 -0.360 0.000 1.873 23 A HA -0.164 4.128 4.320 -0.046 0.000 0.218 23 A C 2.453 179.677 177.584 -0.599 0.000 1.193 23 A CA 2.506 54.262 52.037 -0.468 0.000 0.629 23 A CB -1.160 17.517 19.000 -0.538 0.000 0.826 23 A HN 0.559 nan 8.150 nan 0.000 0.447 24 S N -0.277 114.926 115.700 -0.828 0.000 2.370 24 S HA -0.195 4.247 4.470 -0.046 0.000 0.226 24 S C 1.841 176.295 174.600 -0.243 0.000 1.033 24 S CA 1.537 59.421 58.200 -0.527 0.000 1.011 24 S CB -0.582 62.363 63.200 -0.426 0.000 0.852 24 S HN 0.514 nan 8.310 nan 0.000 0.457 25 L N 1.958 123.050 121.223 -0.218 0.000 2.083 25 L HA 0.019 4.332 4.340 -0.046 0.000 0.209 25 L C 2.350 179.166 176.870 -0.089 0.000 1.083 25 L CA 1.721 56.483 54.840 -0.129 0.000 0.752 25 L CB -1.097 40.894 42.059 -0.113 0.000 0.899 25 L HN 0.248 nan 8.230 nan 0.000 0.433 26 A N -0.348 122.405 122.820 -0.112 0.000 1.873 26 A HA -0.072 4.220 4.320 -0.046 0.000 0.215 26 A C 2.507 180.110 177.584 0.031 0.000 1.186 26 A CA 1.791 53.792 52.037 -0.060 0.000 0.616 26 A CB -1.275 17.662 19.000 -0.106 0.000 0.823 26 A HN 0.578 nan 8.150 nan 0.000 0.442 27 A N 0.300 123.171 122.820 0.086 0.000 1.915 27 A HA -0.245 4.047 4.320 -0.046 0.000 0.220 27 A C 2.133 179.818 177.584 0.169 0.000 1.198 27 A CA 1.966 54.135 52.037 0.219 0.000 0.647 27 A CB -0.803 18.324 19.000 0.212 0.000 0.825 27 A HN 0.556 nan 8.150 nan 0.000 0.456 28 I N -0.508 120.098 120.570 0.060 0.000 2.113 28 I HA -0.268 3.874 4.170 -0.046 0.000 0.238 28 I C 2.418 178.577 176.117 0.070 0.000 1.070 28 I CA 1.484 62.821 61.300 0.061 0.000 1.332 28 I CB -0.604 37.404 38.000 0.012 0.000 1.044 28 I HN 0.308 nan 8.210 nan 0.000 0.402 29 L N 0.398 121.647 121.223 0.045 0.000 2.079 29 L HA -0.240 4.073 4.340 -0.046 0.000 0.210 29 L C 2.555 179.460 176.870 0.059 0.000 1.081 29 L CA 1.451 56.318 54.840 0.045 0.000 0.752 29 L CB -0.751 41.325 42.059 0.029 0.000 0.896 29 L HN 0.325 nan 8.230 nan 0.000 0.433 30 E N 0.576 120.822 120.200 0.076 0.000 2.077 30 E HA -0.226 4.096 4.350 -0.046 0.000 0.193 30 E C 2.194 178.850 176.600 0.093 0.000 0.989 30 E CA 1.060 57.512 56.400 0.087 0.000 0.800 30 E CB -0.044 29.727 29.700 0.118 0.000 0.746 30 E HN 0.485 nan 8.360 nan 0.000 0.452 31 A N 0.672 123.564 122.820 0.121 0.000 2.225 31 A HA -0.097 4.195 4.320 -0.046 0.000 0.215 31 A C 1.622 179.253 177.584 0.078 0.000 1.164 31 A CA 0.677 52.783 52.037 0.116 0.000 0.710 31 A CB -0.166 18.932 19.000 0.164 0.000 0.780 31 A HN 0.094 nan 8.150 nan 0.000 0.473 32 R N -1.025 119.514 120.500 0.065 0.000 2.507 32 R HA 0.217 4.529 4.340 -0.046 0.000 0.298 32 R C 0.787 177.112 176.300 0.042 0.000 0.999 32 R CA 0.484 56.613 56.100 0.049 0.000 1.082 32 R CB -0.092 30.235 30.300 0.045 0.000 1.246 32 R HN 0.615 nan 8.270 nan 0.000 0.553 33 G N 1.952 110.779 108.800 0.045 0.000 2.298 33 G HA2 -0.263 3.669 3.960 -0.046 0.000 0.287 33 G HA3 -0.263 3.669 3.960 -0.046 0.000 0.287 33 G C -0.169 174.752 174.900 0.035 0.000 1.075 33 G CA 0.005 45.128 45.100 0.037 0.000 0.960 33 G HN 0.216 nan 8.290 nan 0.000 0.502 34 L N -0.068 121.180 121.223 0.041 0.000 2.317 34 L HA 0.401 4.713 4.340 -0.046 0.000 0.281 34 L C 0.449 177.344 176.870 0.042 0.000 1.024 34 L CA -1.196 53.666 54.840 0.036 0.000 0.810 34 L CB 1.558 43.638 42.059 0.035 0.000 1.240 34 L HN 0.165 nan 8.230 nan 0.000 0.427 35 N N 3.016 121.743 118.700 0.046 0.000 2.605 35 N HA 0.187 4.899 4.740 -0.046 0.000 0.258 35 N C -0.966 174.613 175.510 0.114 0.000 1.156 35 N CA 0.003 53.110 53.050 0.094 0.000 1.008 35 N CB 0.258 38.792 38.487 0.078 0.000 1.354 35 N HN 0.229 nan 8.380 nan 0.000 0.509 36 V N 1.429 121.371 119.914 0.046 0.000 2.881 36 V HA 0.648 4.740 4.120 -0.046 0.000 0.316 36 V C 0.543 176.476 176.094 -0.269 0.000 1.070 36 V CA -0.630 61.622 62.300 -0.081 0.000 0.976 36 V CB 1.925 33.714 31.823 -0.056 0.000 1.038 36 V HN 0.571 nan 8.190 nan 0.000 0.446 37 T N 2.302 116.618 114.554 -0.396 0.000 2.792 37 T HA 0.764 5.086 4.350 -0.046 0.000 0.303 37 T C -1.776 172.718 174.700 -0.342 0.000 1.310 37 T CA -0.299 61.522 62.100 -0.465 0.000 1.007 37 T CB 1.368 69.720 68.868 -0.860 0.000 1.335 37 T HN 0.445 nan 8.240 nan 0.000 0.504 38 I N 2.608 122.985 120.570 -0.320 0.000 2.802 38 I HA 0.632 4.774 4.170 -0.046 0.000 0.298 38 I C -0.579 175.425 176.117 -0.188 0.000 1.176 38 I CA -1.060 60.003 61.300 -0.396 0.000 1.025 38 I CB 2.263 39.736 38.000 -0.879 0.000 1.243 38 I HN 0.692 nan 8.210 nan 0.000 0.424 39 M N 2.715 122.260 119.600 -0.092 0.000 2.550 39 M HA 0.737 5.189 4.480 -0.046 0.000 0.292 39 M C -1.216 175.124 176.300 0.068 0.000 1.221 39 M CA -0.861 54.478 55.300 0.065 0.000 0.873 39 M CB 2.515 35.140 32.600 0.041 0.000 1.727 39 M HN 0.381 nan 8.290 nan 0.000 0.459 40 K N 1.959 122.379 120.400 0.034 0.000 2.345 40 K HA 0.721 5.013 4.320 -0.046 0.000 0.255 40 K C -2.309 174.073 176.600 -0.365 0.000 0.934 40 K CA -0.369 55.878 56.287 -0.068 0.000 0.801 40 K CB 1.689 34.209 32.500 0.034 0.000 1.137 40 K HN 0.733 nan 8.250 nan 0.000 0.424 41 L N 4.158 125.091 121.223 -0.484 0.000 2.298 41 L HA 0.408 4.720 4.340 -0.046 0.000 0.284 41 L C -0.890 175.741 176.870 -0.398 0.000 1.013 41 L CA -0.184 54.149 54.840 -0.845 0.000 0.824 41 L CB 1.634 42.871 42.059 -1.371 0.000 1.221 41 L HN 0.687 nan 8.230 nan 0.000 0.418 42 D N 5.632 125.869 120.400 -0.271 0.000 2.233 42 D HA 0.288 4.900 4.640 -0.046 0.000 0.240 42 D C -1.821 174.464 176.300 -0.025 0.000 1.074 42 D CA -1.246 52.611 54.000 -0.238 0.000 0.838 42 D CB 2.094 42.418 40.800 -0.794 0.000 1.124 42 D HN 0.274 nan 8.370 nan 0.000 0.475 43 P HA -0.035 nan 4.420 nan 0.000 0.251 43 P C -0.303 176.966 177.300 -0.053 0.000 1.251 43 P CA 0.280 63.377 63.100 -0.005 0.000 0.763 43 P CB -0.565 31.160 31.700 0.042 0.000 1.067 44 Y N -2.636 117.709 120.300 0.075 0.000 2.376 44 Y HA 0.478 5.000 4.550 -0.047 0.000 0.325 44 Y C 1.347 177.247 175.900 0.000 0.000 1.199 44 Y CA -1.414 56.687 58.100 0.003 0.000 1.206 44 Y CB -0.045 38.384 38.460 -0.051 0.000 1.229 44 Y HN -0.378 nan 8.280 nan 0.000 0.480 45 I N 0.802 121.490 120.570 0.197 0.000 2.500 45 I HA -0.159 3.983 4.170 -0.046 0.000 0.252 45 I C 0.575 176.767 176.117 0.125 0.000 1.142 45 I CA 0.351 61.699 61.300 0.079 0.000 1.451 45 I CB -0.597 37.393 38.000 -0.017 0.000 1.093 45 I HN 0.639 nan 8.210 nan 0.000 0.430 46 N N 1.450 120.272 118.700 0.203 0.000 2.217 46 N HA -0.086 4.626 4.740 -0.046 0.000 0.268 46 N C 1.201 176.810 175.510 0.165 0.000 1.290 46 N CA -0.072 53.071 53.050 0.156 0.000 0.831 46 N CB 1.627 40.199 38.487 0.142 0.000 1.057 46 N HN 0.038 nan 8.380 nan 0.000 0.481 47 V N 1.915 121.894 119.914 0.108 0.000 2.237 47 V HA -0.195 3.898 4.120 -0.046 0.000 0.245 47 V C 0.787 176.951 176.094 0.117 0.000 1.046 47 V CA 1.711 64.076 62.300 0.107 0.000 1.007 47 V CB -0.197 31.674 31.823 0.080 0.000 0.638 47 V HN 0.693 nan 8.190 nan 0.000 0.445 48 D N -1.781 118.678 120.400 0.098 0.000 2.185 48 D HA 0.290 4.902 4.640 -0.046 0.000 0.247 48 D C -2.019 174.344 176.300 0.104 0.000 1.027 48 D CA -2.316 51.739 54.000 0.093 0.000 0.861 48 D CB 2.025 42.860 40.800 0.058 0.000 1.202 48 D HN -0.016 nan 8.370 nan 0.000 0.453 49 P HA 0.114 nan 4.420 nan 0.000 0.229 49 P C 1.159 178.491 177.300 0.053 0.000 1.160 49 P CA 0.411 63.581 63.100 0.118 0.000 0.777 49 P CB 0.258 32.047 31.700 0.147 0.000 0.814 50 G N -0.197 108.629 108.800 0.042 0.000 2.708 50 G HA2 -0.178 3.754 3.960 -0.046 0.000 0.210 50 G HA3 -0.178 3.754 3.960 -0.046 0.000 0.210 50 G C 1.367 176.262 174.900 -0.007 0.000 1.141 50 G CA 1.406 46.515 45.100 0.016 0.000 0.788 50 G HN 0.383 nan 8.290 nan 0.000 0.531 51 T N -1.295 113.257 114.554 -0.004 0.000 3.045 51 T HA 0.204 4.526 4.350 -0.046 0.000 0.239 51 T C 1.531 176.209 174.700 -0.036 0.000 1.008 51 T CA -0.245 61.842 62.100 -0.020 0.000 1.143 51 T CB -0.190 68.672 68.868 -0.010 0.000 0.894 51 T HN 0.169 nan 8.240 nan 0.000 0.451 52 M N 3.659 123.228 119.600 -0.052 0.000 2.245 52 M HA 0.258 4.710 4.480 -0.046 0.000 0.335 52 M C 0.761 177.011 176.300 -0.082 0.000 1.155 52 M CA -0.321 54.925 55.300 -0.090 0.000 1.055 52 M CB 0.032 32.533 32.600 -0.165 0.000 1.670 52 M HN 0.384 nan 8.290 nan 0.000 0.447 53 S N 2.920 118.565 115.700 -0.091 0.000 2.614 53 S HA 0.336 4.779 4.470 -0.046 0.000 0.265 53 S C -1.891 172.610 174.600 -0.166 0.000 1.303 53 S CA -1.176 56.948 58.200 -0.127 0.000 1.000 53 S CB 0.706 63.844 63.200 -0.103 0.000 0.935 53 S HN 0.552 nan 8.310 nan 0.000 0.551 54 P HA 0.116 nan 4.420 nan 0.000 0.222 54 P C 1.070 178.244 177.300 -0.211 0.000 1.153 54 P CA 0.792 63.700 63.100 -0.320 0.000 0.798 54 P CB -0.254 31.061 31.700 -0.643 0.000 0.796 55 I N -1.190 119.267 120.570 -0.189 0.000 3.176 55 I HA -0.144 3.998 4.170 -0.046 0.000 0.275 55 I C 2.400 178.497 176.117 -0.033 0.000 1.298 55 I CA 1.058 62.318 61.300 -0.068 0.000 1.445 55 I CB -0.572 37.417 38.000 -0.018 0.000 1.075 55 I HN -0.086 nan 8.210 nan 0.000 0.482 56 Q N 0.142 119.918 119.800 -0.040 0.000 2.123 56 Q HA 0.060 4.372 4.340 -0.046 0.000 0.193 56 Q C 1.733 177.810 176.000 0.128 0.000 0.981 56 Q CA 1.682 57.492 55.803 0.013 0.000 0.833 56 Q CB 0.153 28.864 28.738 -0.046 0.000 0.914 56 Q HN 0.507 nan 8.270 nan 0.000 0.484 57 H N -1.065 117.932 119.070 -0.122 0.000 3.078 57 H HA 0.413 4.941 4.556 -0.047 0.000 0.263 57 H C -0.096 175.188 175.328 -0.073 0.000 1.177 57 H CA -0.005 55.982 56.048 -0.102 0.000 1.128 57 H CB 1.004 30.680 29.762 -0.143 0.000 1.623 57 H HN 0.397 nan 8.280 nan 0.000 0.592 58 G N 2.118 110.904 108.800 -0.023 0.000 2.660 58 G HA2 -0.244 3.688 3.960 -0.046 0.000 0.247 58 G HA3 -0.244 3.688 3.960 -0.046 0.000 0.247 58 G C -0.151 174.720 174.900 -0.048 0.000 1.328 58 G CA -0.290 44.779 45.100 -0.052 0.000 0.884 58 G HN 0.462 nan 8.290 nan 0.000 0.531 59 E N -1.280 118.905 120.200 -0.024 0.000 2.438 59 E HA 0.350 4.673 4.350 -0.046 0.000 0.261 59 E C 0.011 176.662 176.600 0.086 0.000 1.103 59 E CA -0.302 56.118 56.400 0.034 0.000 0.959 59 E CB 0.842 30.618 29.700 0.125 0.000 0.958 59 E HN 0.744 nan 8.360 nan 0.000 0.447 60 V N 3.972 123.958 119.914 0.120 0.000 2.334 60 V HA 0.150 4.242 4.120 -0.046 0.000 0.267 60 V C -0.323 175.839 176.094 0.113 0.000 1.040 60 V CA -0.527 61.837 62.300 0.107 0.000 0.866 60 V CB -0.303 31.568 31.823 0.081 0.000 1.019 60 V HN 0.563 nan 8.190 nan 0.000 0.468 61 F N 5.727 125.595 119.950 -0.137 0.000 2.418 61 F HA 0.492 4.991 4.527 -0.046 0.000 0.341 61 F C 0.163 175.649 175.800 -0.523 0.000 1.120 61 F CA -0.026 57.711 58.000 -0.439 0.000 1.232 61 F CB 1.150 39.947 39.000 -0.338 0.000 1.175 61 F HN 0.232 nan 8.300 nan 0.000 0.569 62 V N 4.642 123.499 119.914 -1.762 0.000 2.448 62 V HA 0.341 4.433 4.120 -0.046 0.000 0.295 62 V C -0.057 175.450 176.094 -0.978 0.000 1.025 62 V CA -0.651 61.061 62.300 -0.980 0.000 0.859 62 V CB 1.610 33.084 31.823 -0.582 0.000 0.988 62 V HN 0.934 nan 8.190 nan 0.000 0.431 63 T N 0.357 114.675 114.554 -0.393 0.000 2.881 63 T HA 0.367 4.689 4.350 -0.046 0.000 0.278 63 T C 1.020 175.658 174.700 -0.103 0.000 0.982 63 T CA -0.400 61.590 62.100 -0.184 0.000 0.989 63 T CB 1.531 70.412 68.868 0.022 0.000 1.058 63 T HN 0.644 nan 8.240 nan 0.000 0.529 64 E N 0.870 121.061 120.200 -0.015 0.000 2.048 64 E HA -0.255 4.067 4.350 -0.046 0.000 0.202 64 E C 1.600 178.216 176.600 0.027 0.000 1.021 64 E CA 1.882 58.296 56.400 0.023 0.000 0.825 64 E CB -0.185 29.547 29.700 0.054 0.000 0.756 64 E HN 0.896 nan 8.360 nan 0.000 0.454 65 D N -1.022 119.398 120.400 0.032 0.000 2.407 65 D HA -0.074 4.538 4.640 -0.046 0.000 0.234 65 D C 1.127 177.442 176.300 0.025 0.000 1.029 65 D CA 1.035 55.055 54.000 0.034 0.000 0.937 65 D CB -0.222 40.603 40.800 0.041 0.000 0.882 65 D HN 0.414 nan 8.370 nan 0.000 0.531 66 G N -0.713 108.094 108.800 0.011 0.000 2.179 66 G HA2 -0.199 3.733 3.960 -0.046 0.000 0.260 66 G HA3 -0.199 3.733 3.960 -0.046 0.000 0.260 66 G C 0.485 175.382 174.900 -0.005 0.000 0.977 66 G CA 0.270 45.375 45.100 0.009 0.000 0.641 66 G HN 0.893 nan 8.290 nan 0.000 0.533 67 A N 0.175 122.992 122.820 -0.005 0.000 2.477 67 A HA 0.556 4.848 4.320 -0.046 0.000 0.246 67 A C 0.453 178.023 177.584 -0.023 0.000 1.078 67 A CA 0.264 52.306 52.037 0.007 0.000 0.770 67 A CB 0.239 19.261 19.000 0.036 0.000 1.011 67 A HN 0.504 nan 8.150 nan 0.000 0.494 68 E N 1.767 121.966 120.200 -0.001 0.000 2.044 68 E HA 0.370 4.692 4.350 -0.046 0.000 0.282 68 E C 0.242 176.860 176.600 0.030 0.000 1.031 68 E CA -0.210 56.184 56.400 -0.009 0.000 0.824 68 E CB 0.917 30.623 29.700 0.010 0.000 1.076 68 E HN 0.774 nan 8.360 nan 0.000 0.395 69 T N -0.732 113.844 114.554 0.037 0.000 2.883 69 T HA 0.199 4.521 4.350 -0.046 0.000 0.284 69 T C -0.116 174.640 174.700 0.094 0.000 1.041 69 T CA -1.065 61.084 62.100 0.081 0.000 1.007 69 T CB 1.663 70.590 68.868 0.100 0.000 1.220 69 T HN 0.243 nan 8.240 nan 0.000 0.552 70 D N 0.721 121.165 120.400 0.073 0.000 2.424 70 D HA 0.026 4.638 4.640 -0.046 0.000 0.244 70 D C 1.692 177.964 176.300 -0.046 0.000 1.134 70 D CA -0.464 53.569 54.000 0.056 0.000 0.881 70 D CB 1.114 41.947 40.800 0.054 0.000 1.191 70 D HN 0.581 nan 8.370 nan 0.000 0.445 71 L N 2.917 124.111 121.223 -0.049 0.000 2.137 71 L HA -0.189 4.123 4.340 -0.046 0.000 0.213 71 L C 1.430 178.020 176.870 -0.466 0.000 1.085 71 L CA 1.634 56.364 54.840 -0.183 0.000 0.760 71 L CB -0.963 41.028 42.059 -0.113 0.000 0.893 71 L HN 0.253 nan 8.230 nan 0.000 0.434 72 D N 0.328 120.498 120.400 -0.383 0.000 2.203 72 D HA -0.198 4.415 4.640 -0.046 0.000 0.199 72 D C 2.118 177.822 176.300 -0.994 0.000 0.997 72 D CA 1.478 55.169 54.000 -0.516 0.000 0.863 72 D CB -0.248 40.323 40.800 -0.380 0.000 0.928 72 D HN 0.349 nan 8.370 nan 0.000 0.458 73 L N 0.258 120.940 121.223 -0.903 0.000 2.265 73 L HA -0.036 4.276 4.340 -0.046 0.000 0.215 73 L C 2.417 178.687 176.870 -0.999 0.000 1.117 73 L CA 1.347 55.667 54.840 -0.868 0.000 0.782 73 L CB -0.893 40.943 42.059 -0.372 0.000 0.914 73 L HN 0.054 nan 8.230 nan 0.000 0.441 74 G N -1.968 106.006 108.800 -1.377 0.000 2.404 74 G HA2 -0.249 3.683 3.960 -0.046 0.000 0.215 74 G HA3 -0.249 3.683 3.960 -0.046 0.000 0.215 74 G C 1.490 176.149 174.900 -0.402 0.000 1.174 74 G CA 0.476 44.800 45.100 -1.294 0.000 0.780 74 G HN 0.386 nan 8.290 nan 0.000 0.537 75 H N 0.007 118.950 119.070 -0.212 0.000 2.289 75 H HA -0.102 4.426 4.556 -0.047 0.000 0.296 75 H C 2.498 178.020 175.328 0.322 0.000 1.091 75 H CA 1.434 57.551 56.048 0.115 0.000 1.274 75 H CB -0.755 29.040 29.762 0.055 0.000 1.364 75 H HN 0.330 nan 8.280 nan 0.000 0.490 76 Y N 1.379 121.750 120.300 0.119 0.000 2.014 76 Y HA -0.231 4.290 4.550 -0.047 0.000 0.272 76 Y C 2.601 178.604 175.900 0.173 0.000 1.164 76 Y CA 1.109 59.270 58.100 0.101 0.000 1.114 76 Y CB -1.110 37.353 38.460 0.005 0.000 0.961 76 Y HN 0.335 nan 8.280 nan 0.000 0.489 77 E N -0.140 120.220 120.200 0.266 0.000 2.209 77 E HA -0.202 4.120 4.350 -0.046 0.000 0.196 77 E C 1.838 178.594 176.600 0.260 0.000 0.993 77 E CA 0.885 57.426 56.400 0.235 0.000 0.819 77 E CB -0.231 29.601 29.700 0.221 0.000 0.745 77 E HN 0.478 nan 8.360 nan 0.000 0.477 78 R N -0.910 119.782 120.500 0.321 0.000 2.320 78 R HA 0.086 4.398 4.340 -0.046 0.000 0.211 78 R C 0.717 177.149 176.300 0.221 0.000 0.931 78 R CA 0.194 56.455 56.100 0.267 0.000 1.071 78 R CB 0.310 30.802 30.300 0.319 0.000 1.025 78 R HN 0.127 nan 8.270 nan 0.000 0.495 79 F N 0.020 120.163 119.950 0.321 0.000 2.819 79 F HA 0.313 4.813 4.527 -0.045 0.000 0.325 79 F C 0.674 176.670 175.800 0.326 0.000 1.041 79 F CA -0.438 57.788 58.000 0.378 0.000 1.184 79 F CB 0.930 40.036 39.000 0.177 0.000 1.019 79 F HN -0.167 nan 8.300 nan 0.000 0.590 80 I N -2.652 118.146 120.570 0.379 0.000 2.769 80 I HA 0.441 4.583 4.170 -0.046 0.000 0.298 80 I C 0.307 176.530 176.117 0.175 0.000 1.128 80 I CA -0.827 60.618 61.300 0.241 0.000 1.031 80 I CB 2.251 40.350 38.000 0.164 0.000 1.235 80 I HN -0.128 nan 8.210 nan 0.000 0.423 81 R N 1.856 122.433 120.500 0.128 0.000 2.313 81 R HA 0.133 4.445 4.340 -0.046 0.000 0.199 81 R C 0.193 176.553 176.300 0.101 0.000 0.958 81 R CA 0.125 56.285 56.100 0.100 0.000 1.047 81 R CB -0.355 29.986 30.300 0.068 0.000 0.955 81 R HN 0.671 nan 8.270 nan 0.000 0.481 82 T N 1.833 116.447 114.554 0.100 0.000 2.898 82 T HA 0.098 4.420 4.350 -0.046 0.000 0.301 82 T C 0.360 175.129 174.700 0.115 0.000 1.049 82 T CA 0.138 62.295 62.100 0.095 0.000 1.095 82 T CB 0.938 69.836 68.868 0.049 0.000 0.976 82 T HN -0.055 nan 8.240 nan 0.000 0.539 83 K N 2.679 123.150 120.400 0.118 0.000 2.182 83 K HA 0.415 4.707 4.320 -0.046 0.000 0.262 83 K C -0.113 176.570 176.600 0.138 0.000 0.957 83 K CA -0.771 55.597 56.287 0.134 0.000 0.842 83 K CB 1.513 34.086 32.500 0.121 0.000 1.099 83 K HN 0.443 nan 8.250 nan 0.000 0.438 84 M N 1.209 120.911 119.600 0.169 0.000 2.255 84 M HA 0.174 4.626 4.480 -0.046 0.000 0.336 84 M C 0.780 177.165 176.300 0.142 0.000 1.135 84 M CA 0.030 55.432 55.300 0.170 0.000 1.145 84 M CB 0.839 33.567 32.600 0.215 0.000 1.473 84 M HN 0.786 nan 8.290 nan 0.000 0.462 85 S N 1.955 117.732 115.700 0.128 0.000 2.732 85 S HA 0.584 5.026 4.470 -0.046 0.000 0.293 85 S C 0.778 175.442 174.600 0.106 0.000 1.159 85 S CA -0.902 57.361 58.200 0.104 0.000 0.847 85 S CB 1.812 65.070 63.200 0.096 0.000 1.169 85 S HN 0.739 nan 8.310 nan 0.000 0.501 86 R N 1.532 122.086 120.500 0.089 0.000 2.152 86 R HA -0.088 4.224 4.340 -0.046 0.000 0.232 86 R C 1.704 178.080 176.300 0.127 0.000 1.117 86 R CA 1.633 57.790 56.100 0.096 0.000 0.981 86 R CB -1.134 29.211 30.300 0.075 0.000 0.870 86 R HN 0.885 nan 8.270 nan 0.000 0.451 87 R N 0.760 121.332 120.500 0.120 0.000 2.346 87 R HA 0.057 4.369 4.340 -0.046 0.000 0.199 87 R C -0.121 176.291 176.300 0.186 0.000 1.015 87 R CA 1.145 57.331 56.100 0.144 0.000 1.058 87 R CB -0.264 30.100 30.300 0.108 0.000 0.921 87 R HN 0.221 nan 8.270 nan 0.000 0.475 88 N N -0.077 118.724 118.700 0.169 0.000 2.205 88 N HA 0.061 4.773 4.740 -0.046 0.000 0.201 88 N C -1.066 174.527 175.510 0.138 0.000 1.128 88 N CA -0.156 52.991 53.050 0.161 0.000 0.867 88 N CB 0.768 39.349 38.487 0.156 0.000 0.996 88 N HN 0.272 nan 8.380 nan 0.000 0.503 89 N N 0.725 119.516 118.700 0.152 0.000 2.454 89 N HA 0.278 4.990 4.740 -0.046 0.000 0.291 89 N C -1.832 173.771 175.510 0.155 0.000 1.079 89 N CA -0.452 52.636 53.050 0.064 0.000 0.893 89 N CB 1.215 39.731 38.487 0.049 0.000 1.512 89 N HN -0.068 nan 8.380 nan 0.000 0.497 90 F N 0.052 119.994 119.950 -0.013 0.000 2.619 90 F HA 0.571 5.070 4.527 -0.047 0.000 0.308 90 F C -0.480 175.309 175.800 -0.019 0.000 1.097 90 F CA -0.792 57.206 58.000 -0.003 0.000 0.953 90 F CB 1.054 40.067 39.000 0.022 0.000 1.287 90 F HN 0.181 nan 8.300 nan 0.000 0.446 91 T N -1.627 113.069 114.554 0.237 0.000 2.952 91 T HA 0.343 4.665 4.350 -0.046 0.000 0.286 91 T C 0.627 175.528 174.700 0.334 0.000 1.024 91 T CA -0.119 62.049 62.100 0.114 0.000 1.029 91 T CB 1.489 70.339 68.868 -0.029 0.000 1.094 91 T HN 0.751 nan 8.240 nan 0.000 0.515 92 T N 1.376 116.076 114.554 0.243 0.000 2.788 92 T HA 0.020 4.342 4.350 -0.046 0.000 0.268 92 T C 2.226 177.080 174.700 0.256 0.000 1.044 92 T CA 1.841 64.088 62.100 0.244 0.000 1.139 92 T CB -1.018 67.838 68.868 -0.020 0.000 0.867 92 T HN 0.860 nan 8.240 nan 0.000 0.454 93 G N 1.337 110.222 108.800 0.141 0.000 2.440 93 G HA2 -0.293 3.639 3.960 -0.046 0.000 0.218 93 G HA3 -0.293 3.639 3.960 -0.046 0.000 0.218 93 G C 1.580 176.588 174.900 0.181 0.000 1.154 93 G CA 1.248 46.425 45.100 0.128 0.000 0.767 93 G HN 0.438 nan 8.290 nan 0.000 0.552 94 R N 0.403 121.017 120.500 0.191 0.000 2.073 94 R HA -0.003 4.309 4.340 -0.046 0.000 0.234 94 R C 2.516 178.908 176.300 0.153 0.000 1.134 94 R CA 1.222 57.418 56.100 0.161 0.000 0.952 94 R CB -0.428 29.971 30.300 0.165 0.000 0.850 94 R HN 0.337 nan 8.270 nan 0.000 0.433 95 I N 0.107 120.805 120.570 0.213 0.000 2.127 95 I HA -0.309 3.833 4.170 -0.046 0.000 0.241 95 I C 2.043 178.235 176.117 0.125 0.000 1.075 95 I CA 1.731 63.122 61.300 0.150 0.000 1.334 95 I CB -1.211 36.936 38.000 0.245 0.000 1.040 95 I HN 0.176 nan 8.210 nan 0.000 0.405 96 Y N 1.495 121.834 120.300 0.064 0.000 2.128 96 Y HA -0.269 4.252 4.550 -0.048 0.000 0.284 96 Y C 3.206 179.132 175.900 0.044 0.000 1.154 96 Y CA 2.054 60.181 58.100 0.046 0.000 1.149 96 Y CB -1.002 37.477 38.460 0.031 0.000 0.976 96 Y HN 0.229 nan 8.280 nan 0.000 0.505 97 S N -0.072 115.752 115.700 0.206 0.000 2.387 97 S HA -0.235 4.207 4.470 -0.046 0.000 0.230 97 S C 1.753 176.402 174.600 0.081 0.000 1.035 97 S CA 1.972 60.246 58.200 0.123 0.000 1.014 97 S CB -0.432 62.828 63.200 0.100 0.000 0.836 97 S HN 0.447 nan 8.310 nan 0.000 0.466 98 D N 0.867 121.307 120.400 0.067 0.000 2.084 98 D HA -0.035 4.577 4.640 -0.046 0.000 0.196 98 D C 2.275 178.605 176.300 0.050 0.000 0.985 98 D CA 1.452 55.473 54.000 0.036 0.000 0.826 98 D CB -0.836 39.967 40.800 0.006 0.000 0.978 98 D HN 0.359 nan 8.370 nan 0.000 0.456 99 V N 1.553 121.497 119.914 0.050 0.000 2.282 99 V HA -0.252 3.840 4.120 -0.046 0.000 0.249 99 V C 2.741 178.914 176.094 0.132 0.000 1.057 99 V CA 1.306 63.665 62.300 0.097 0.000 1.032 99 V CB -0.611 31.196 31.823 -0.027 0.000 0.645 99 V HN 0.170 nan 8.190 nan 0.000 0.447 100 L N -0.299 120.972 121.223 0.078 0.000 1.970 100 L HA -0.245 4.067 4.340 -0.046 0.000 0.212 100 L C 2.810 179.729 176.870 0.081 0.000 1.071 100 L CA 2.434 57.321 54.840 0.078 0.000 0.751 100 L CB -0.686 41.423 42.059 0.083 0.000 0.889 100 L HN 0.346 nan 8.230 nan 0.000 0.432 101 R N 1.078 121.617 120.500 0.064 0.000 2.097 101 R HA -0.291 4.021 4.340 -0.046 0.000 0.236 101 R C 2.325 178.646 176.300 0.035 0.000 1.135 101 R CA 2.455 58.581 56.100 0.042 0.000 0.934 101 R CB -0.439 29.878 30.300 0.030 0.000 0.846 101 R HN 0.195 nan 8.270 nan 0.000 0.431 102 K N 0.383 120.802 120.400 0.031 0.000 2.218 102 K HA -0.213 4.079 4.320 -0.046 0.000 0.205 102 K C 2.098 178.683 176.600 -0.026 0.000 1.046 102 K CA 1.910 58.176 56.287 -0.034 0.000 0.933 102 K CB -0.088 32.374 32.500 -0.064 0.000 0.728 102 K HN 0.399 nan 8.250 nan 0.000 0.454 103 E N 0.947 121.251 120.200 0.174 0.000 2.021 103 E HA -0.165 4.157 4.350 -0.046 0.000 0.189 103 E C 1.912 178.586 176.600 0.124 0.000 0.980 103 E CA 0.868 57.450 56.400 0.304 0.000 0.803 103 E CB -0.028 29.832 29.700 0.268 0.000 0.766 103 E HN 0.299 nan 8.360 nan 0.000 0.449 104 R N 0.313 120.857 120.500 0.073 0.000 2.211 104 R HA -0.150 4.163 4.340 -0.046 0.000 0.240 104 R C 1.719 178.030 176.300 0.019 0.000 1.144 104 R CA 1.713 57.836 56.100 0.039 0.000 0.992 104 R CB -0.359 29.958 30.300 0.029 0.000 0.869 104 R HN 0.148 nan 8.270 nan 0.000 0.462 105 R N -0.464 120.038 120.500 0.003 0.000 3.351 105 R HA 0.216 4.528 4.340 -0.046 0.000 0.296 105 R C 0.578 176.860 176.300 -0.030 0.000 1.427 105 R CA 0.417 56.508 56.100 -0.016 0.000 1.257 105 R CB -0.106 30.179 30.300 -0.025 0.000 1.378 105 R HN 0.052 nan 8.270 nan 0.000 0.610 106 G N 1.290 110.085 108.800 -0.009 0.000 2.320 106 G HA2 -0.367 3.565 3.960 -0.046 0.000 0.291 106 G HA3 -0.367 3.565 3.960 -0.046 0.000 0.291 106 G C 0.066 174.933 174.900 -0.056 0.000 0.994 106 G CA 0.963 46.059 45.100 -0.008 0.000 0.760 106 G HN 0.563 nan 8.290 nan 0.000 0.514 107 D N -0.893 119.420 120.400 -0.144 0.000 2.221 107 D HA -0.092 4.520 4.640 -0.046 0.000 0.204 107 D C 1.738 177.847 176.300 -0.317 0.000 0.982 107 D CA 1.231 55.064 54.000 -0.277 0.000 0.857 107 D CB -0.230 40.326 40.800 -0.406 0.000 0.934 107 D HN 0.654 nan 8.370 nan 0.000 0.475 108 Y N -0.131 120.152 120.300 -0.029 0.000 2.523 108 Y HA 0.240 4.763 4.550 -0.045 0.000 0.279 108 Y C 0.817 176.702 175.900 -0.025 0.000 1.139 108 Y CA -0.049 58.030 58.100 -0.035 0.000 1.296 108 Y CB -0.079 38.325 38.460 -0.094 0.000 1.045 108 Y HN -0.176 nan 8.280 nan 0.000 0.538 109 L N -0.156 121.116 121.223 0.082 0.000 3.533 109 L HA -0.263 4.049 4.340 -0.046 0.000 0.477 109 L C 1.173 178.074 176.870 0.051 0.000 1.306 109 L CA 0.488 55.358 54.840 0.050 0.000 0.850 109 L CB -2.225 39.858 42.059 0.040 0.000 1.654 109 L HN 0.511 nan 8.230 nan 0.000 0.863 110 G N -1.179 107.649 108.800 0.048 0.000 2.187 110 G HA2 -0.157 3.776 3.960 -0.046 0.000 0.261 110 G HA3 -0.157 3.776 3.960 -0.046 0.000 0.261 110 G C 0.562 175.470 174.900 0.013 0.000 1.000 110 G CA 0.709 45.823 45.100 0.024 0.000 0.718 110 G HN 1.472 nan 8.290 nan 0.000 0.519 111 A N -0.441 122.396 122.820 0.028 0.000 2.287 111 A HA 0.750 5.043 4.320 -0.046 0.000 0.273 111 A C 0.801 178.327 177.584 -0.097 0.000 1.091 111 A CA 0.706 52.742 52.037 -0.002 0.000 0.817 111 A CB 0.461 19.492 19.000 0.053 0.000 1.069 111 A HN 0.879 nan 8.150 nan 0.000 0.492 112 T N 1.190 115.679 114.554 -0.108 0.000 2.761 112 T HA 0.411 4.733 4.350 -0.046 0.000 0.296 112 T C -0.042 174.422 174.700 -0.393 0.000 0.934 112 T CA -0.361 61.637 62.100 -0.170 0.000 1.091 112 T CB 0.579 69.398 68.868 -0.080 0.000 0.896 112 T HN 0.378 nan 8.240 nan 0.000 0.515 113 V N 4.948 124.525 119.914 -0.562 0.000 2.432 113 V HA 0.257 4.349 4.120 -0.046 0.000 0.271 113 V C 0.210 176.059 176.094 -0.409 0.000 1.046 113 V CA -0.407 61.294 62.300 -0.998 0.000 0.945 113 V CB 0.533 31.783 31.823 -0.954 0.000 0.992 113 V HN 0.866 nan 8.190 nan 0.000 0.471 114 Q N 2.924 122.732 119.800 0.015 0.000 2.416 114 Q HA 0.508 4.821 4.340 -0.046 0.000 0.279 114 Q C 0.752 176.803 176.000 0.084 0.000 1.101 114 Q CA -0.992 54.872 55.803 0.102 0.000 0.830 114 Q CB 2.059 30.868 28.738 0.118 0.000 1.402 114 Q HN 0.270 nan 8.270 nan 0.000 0.445 115 V N 0.401 120.327 119.914 0.020 0.000 2.282 115 V HA -0.185 3.908 4.120 -0.046 0.000 0.249 115 V C 0.696 176.783 176.094 -0.012 0.000 1.057 115 V CA 1.766 64.066 62.300 0.000 0.000 1.032 115 V CB -0.197 31.638 31.823 0.021 0.000 0.645 115 V HN 0.550 nan 8.190 nan 0.000 0.447 116 I N 0.410 120.973 120.570 -0.012 0.000 2.418 116 I HA 0.283 4.425 4.170 -0.046 0.000 0.287 116 I C -1.812 174.249 176.117 -0.093 0.000 1.008 116 I CA -1.541 59.726 61.300 -0.054 0.000 1.104 116 I CB 2.435 40.412 38.000 -0.038 0.000 1.264 116 I HN 0.063 nan 8.210 nan 0.000 0.438 117 P HA 0.092 nan 4.420 nan 0.000 0.238 117 P C 1.060 178.184 177.300 -0.294 0.000 1.183 117 P CA 0.823 63.766 63.100 -0.262 0.000 0.813 117 P CB 0.220 31.745 31.700 -0.292 0.000 0.944 118 H N 0.762 119.787 119.070 -0.075 0.000 2.266 118 H HA -0.190 4.338 4.556 -0.047 0.000 0.286 118 H C 2.005 177.279 175.328 -0.090 0.000 1.102 118 H CA 1.909 57.899 56.048 -0.096 0.000 1.182 118 H CB -1.064 28.545 29.762 -0.254 0.000 1.345 118 H HN 0.020 nan 8.280 nan 0.000 0.485 119 I N 0.717 121.271 120.570 -0.026 0.000 2.179 119 I HA -0.226 3.916 4.170 -0.046 0.000 0.242 119 I C 2.598 178.704 176.117 -0.018 0.000 1.088 119 I CA 1.942 63.188 61.300 -0.090 0.000 1.357 119 I CB -1.440 36.465 38.000 -0.159 0.000 1.051 119 I HN 0.518 nan 8.210 nan 0.000 0.409 120 T N -0.131 114.415 114.554 -0.013 0.000 2.759 120 T HA -0.172 4.150 4.350 -0.046 0.000 0.269 120 T C 1.679 176.388 174.700 0.015 0.000 1.042 120 T CA 1.508 63.619 62.100 0.017 0.000 1.140 120 T CB -0.564 68.304 68.868 0.000 0.000 0.864 120 T HN 0.203 nan 8.240 nan 0.000 0.455 121 N N 2.478 121.169 118.700 -0.015 0.000 2.039 121 N HA 0.085 4.797 4.740 -0.046 0.000 0.193 121 N C 2.400 177.914 175.510 0.007 0.000 1.044 121 N CA 1.638 54.682 53.050 -0.009 0.000 0.847 121 N CB -1.221 37.255 38.487 -0.018 0.000 1.030 121 N HN 0.548 nan 8.380 nan 0.000 0.422 122 A N 1.415 124.243 122.820 0.014 0.000 1.909 122 A HA -0.243 4.049 4.320 -0.046 0.000 0.221 122 A C 2.324 179.887 177.584 -0.036 0.000 1.223 122 A CA 1.779 53.810 52.037 -0.010 0.000 0.658 122 A CB -1.157 17.835 19.000 -0.013 0.000 0.831 122 A HN 0.307 nan 8.150 nan 0.000 0.462 123 I N -0.679 119.914 120.570 0.037 0.000 2.127 123 I HA -0.311 3.831 4.170 -0.046 0.000 0.241 123 I C 2.519 178.687 176.117 0.084 0.000 1.075 123 I CA 1.994 63.364 61.300 0.117 0.000 1.334 123 I CB -0.363 37.800 38.000 0.273 0.000 1.040 123 I HN 0.321 nan 8.210 nan 0.000 0.405 124 K N 0.447 120.880 120.400 0.055 0.000 2.113 124 K HA -0.247 4.045 4.320 -0.046 0.000 0.208 124 K C 2.003 178.612 176.600 0.016 0.000 1.047 124 K CA 1.614 57.918 56.287 0.028 0.000 0.928 124 K CB -0.250 32.249 32.500 -0.001 0.000 0.716 124 K HN 0.405 nan 8.250 nan 0.000 0.446 125 E N 0.549 120.745 120.200 -0.007 0.000 2.023 125 E HA -0.187 4.135 4.350 -0.046 0.000 0.196 125 E C 2.179 178.764 176.600 -0.025 0.000 1.003 125 E CA 1.181 57.568 56.400 -0.021 0.000 0.809 125 E CB 0.041 29.715 29.700 -0.042 0.000 0.755 125 E HN 0.221 nan 8.360 nan 0.000 0.449 126 R N 0.344 120.783 120.500 -0.101 0.000 2.091 126 R HA -0.144 4.168 4.340 -0.046 0.000 0.238 126 R C 2.460 178.817 176.300 0.095 0.000 1.136 126 R CA 1.116 57.132 56.100 -0.140 0.000 0.959 126 R CB -0.692 29.201 30.300 -0.680 0.000 0.856 126 R HN 0.129 nan 8.270 nan 0.000 0.437 127 V N 1.956 121.970 119.914 0.165 0.000 2.233 127 V HA -0.275 3.817 4.120 -0.046 0.000 0.247 127 V C 2.462 178.676 176.094 0.200 0.000 1.050 127 V CA 1.942 64.377 62.300 0.224 0.000 1.010 127 V CB -0.530 31.403 31.823 0.183 0.000 0.637 127 V HN 0.213 nan 8.190 nan 0.000 0.444 128 L N -0.206 121.096 121.223 0.132 0.000 2.042 128 L HA -0.231 4.081 4.340 -0.046 0.000 0.210 128 L C 2.470 179.427 176.870 0.146 0.000 1.076 128 L CA 1.981 56.922 54.840 0.167 0.000 0.749 128 L CB -0.973 41.144 42.059 0.096 0.000 0.893 128 L HN 0.375 nan 8.230 nan 0.000 0.432 129 E N 0.222 120.479 120.200 0.095 0.000 2.130 129 E HA -0.210 4.112 4.350 -0.046 0.000 0.196 129 E C 2.265 178.931 176.600 0.110 0.000 0.998 129 E CA 1.184 57.629 56.400 0.074 0.000 0.806 129 E CB -0.424 29.296 29.700 0.033 0.000 0.738 129 E HN 0.641 nan 8.360 nan 0.000 0.459 130 G N 0.514 109.404 108.800 0.150 0.000 2.551 130 G HA2 -0.078 3.854 3.960 -0.046 0.000 0.216 130 G HA3 -0.078 3.854 3.960 -0.046 0.000 0.216 130 G C 1.349 176.357 174.900 0.180 0.000 1.137 130 G CA 0.461 45.662 45.100 0.167 0.000 0.798 130 G HN 0.338 nan 8.290 nan 0.000 0.536 131 G N 0.296 109.220 108.800 0.207 0.000 3.233 131 G HA2 0.225 4.157 3.960 -0.046 0.000 0.227 131 G HA3 0.225 4.157 3.960 -0.046 0.000 0.227 131 G C 0.423 175.422 174.900 0.166 0.000 1.175 131 G CA 0.032 45.239 45.100 0.179 0.000 0.781 131 G HN 0.523 nan 8.290 nan 0.000 0.542 132 E N 0.636 120.920 120.200 0.140 0.000 2.463 132 E HA 0.355 4.677 4.350 -0.046 0.000 0.248 132 E C 1.013 177.539 176.600 -0.123 0.000 1.106 132 E CA 0.402 56.821 56.400 0.031 0.000 0.946 132 E CB -0.544 29.175 29.700 0.031 0.000 0.971 132 E HN 0.366 nan 8.360 nan 0.000 0.478 133 G N 4.322 113.002 108.800 -0.201 0.000 2.341 133 G HA2 -0.209 3.723 3.960 -0.046 0.000 0.278 133 G HA3 -0.209 3.723 3.960 -0.046 0.000 0.278 133 G C -0.756 173.702 174.900 -0.735 0.000 1.111 133 G CA 0.083 44.962 45.100 -0.368 0.000 0.982 133 G HN 0.722 nan 8.290 nan 0.000 0.502 134 H N -0.957 118.047 119.070 -0.110 0.000 3.012 134 H HA 0.259 4.788 4.556 -0.046 0.000 0.367 134 H C 0.364 175.581 175.328 -0.184 0.000 1.211 134 H CA -0.382 55.587 56.048 -0.131 0.000 1.139 134 H CB 1.645 31.319 29.762 -0.146 0.000 1.838 134 H HN 0.240 nan 8.280 nan 0.000 0.550 135 D N 0.656 121.037 120.400 -0.031 0.000 2.240 135 D HA 0.033 4.645 4.640 -0.046 0.000 0.206 135 D C 0.384 176.549 176.300 -0.225 0.000 0.963 135 D CA 0.758 54.683 54.000 -0.124 0.000 0.863 135 D CB 1.208 41.965 40.800 -0.073 0.000 0.973 135 D HN -0.020 nan 8.370 nan 0.000 0.501 136 V N 1.809 121.621 119.914 -0.171 0.000 2.588 136 V HA 0.289 4.381 4.120 -0.046 0.000 0.304 136 V C -0.279 175.659 176.094 -0.259 0.000 1.042 136 V CA -0.830 61.327 62.300 -0.239 0.000 0.877 136 V CB 2.599 34.358 31.823 -0.107 0.000 0.996 136 V HN -0.151 nan 8.190 nan 0.000 0.425 137 V N 5.515 125.210 119.914 -0.365 0.000 2.604 137 V HA 0.589 4.681 4.120 -0.046 0.000 0.305 137 V C -0.775 175.167 176.094 -0.252 0.000 1.043 137 V CA -0.728 61.380 62.300 -0.320 0.000 0.888 137 V CB 1.823 33.422 31.823 -0.374 0.000 0.995 137 V HN 0.614 nan 8.190 nan 0.000 0.429 138 L N 4.699 125.788 121.223 -0.223 0.000 2.316 138 L HA 0.530 4.842 4.340 -0.046 0.000 0.280 138 L C -0.298 176.473 176.870 -0.164 0.000 1.006 138 L CA -0.075 54.640 54.840 -0.208 0.000 0.836 138 L CB 1.845 43.761 42.059 -0.238 0.000 1.221 138 L HN 0.500 nan 8.230 nan 0.000 0.418 139 V N 2.937 122.783 119.914 -0.113 0.000 2.318 139 V HA 0.280 4.372 4.120 -0.046 0.000 0.271 139 V C 0.272 176.384 176.094 0.029 0.000 1.030 139 V CA -0.698 61.601 62.300 -0.002 0.000 0.844 139 V CB 1.100 33.023 31.823 0.167 0.000 1.015 139 V HN 0.723 nan 8.190 nan 0.000 0.460 140 E N 5.662 125.856 120.200 -0.010 0.000 2.167 140 E HA 0.330 4.652 4.350 -0.046 0.000 0.284 140 E C -0.919 175.674 176.600 -0.011 0.000 1.016 140 E CA -0.820 55.593 56.400 0.022 0.000 0.817 140 E CB 0.930 30.667 29.700 0.061 0.000 1.080 140 E HN 0.475 nan 8.360 nan 0.000 0.397 141 I N 4.374 124.969 120.570 0.042 0.000 2.325 141 I HA 0.256 4.398 4.170 -0.046 0.000 0.291 141 I C 1.060 177.232 176.117 0.092 0.000 1.019 141 I CA -0.350 60.971 61.300 0.035 0.000 1.302 141 I CB 0.384 38.462 38.000 0.130 0.000 1.401 141 I HN 0.605 nan 8.210 nan 0.000 0.485 142 G N 3.527 112.385 108.800 0.096 0.000 2.599 142 G HA2 0.549 4.481 3.960 -0.046 0.000 0.264 142 G HA3 0.549 4.481 3.960 -0.046 0.000 0.264 142 G C 0.233 175.243 174.900 0.183 0.000 1.200 142 G CA 0.243 45.426 45.100 0.138 0.000 0.896 142 G HN 1.109 nan 8.290 nan 0.000 0.536 143 G N -1.266 107.632 108.800 0.163 0.000 2.746 143 G HA2 0.136 4.068 3.960 -0.046 0.000 0.685 143 G HA3 0.136 4.068 3.960 -0.046 0.000 0.685 143 G C -0.194 174.779 174.900 0.122 0.000 1.350 143 G CA -0.180 45.007 45.100 0.145 0.000 0.837 143 G HN 1.074 nan 8.290 nan 0.000 0.564 144 T N 0.432 115.048 114.554 0.103 0.000 2.799 144 T HA 0.497 4.819 4.350 -0.046 0.000 0.286 144 T C 0.840 175.604 174.700 0.106 0.000 0.973 144 T CA -0.268 61.890 62.100 0.097 0.000 1.035 144 T CB 1.724 70.637 68.868 0.075 0.000 0.932 144 T HN 0.928 nan 8.240 nan 0.000 0.469 145 V N 3.592 123.589 119.914 0.138 0.000 2.540 145 V HA 0.393 4.485 4.120 -0.046 0.000 0.297 145 V C 1.436 177.581 176.094 0.086 0.000 1.024 145 V CA 1.926 64.302 62.300 0.126 0.000 1.105 145 V CB 0.374 32.299 31.823 0.170 0.000 0.938 145 V HN 1.271 nan 8.190 nan 0.000 0.482 146 G N 4.335 113.169 108.800 0.057 0.000 2.284 146 G HA2 -0.145 3.788 3.960 -0.046 0.000 0.201 146 G HA3 -0.145 3.788 3.960 -0.046 0.000 0.201 146 G C -0.122 174.797 174.900 0.031 0.000 0.998 146 G CA -0.144 44.979 45.100 0.039 0.000 0.651 146 G HN 0.639 nan 8.290 nan 0.000 0.489 147 D N 0.205 120.628 120.400 0.038 0.000 2.264 147 D HA 0.523 5.135 4.640 -0.046 0.000 0.249 147 D C 2.075 178.384 176.300 0.015 0.000 1.070 147 D CA -0.030 53.987 54.000 0.029 0.000 0.912 147 D CB 1.118 41.942 40.800 0.040 0.000 1.193 147 D HN 0.411 nan 8.370 nan 0.000 0.427 148 I N -1.339 119.232 120.570 0.002 0.000 2.546 148 I HA -0.078 4.064 4.170 -0.046 0.000 0.255 148 I C 1.599 177.695 176.117 -0.034 0.000 1.163 148 I CA 0.812 62.105 61.300 -0.013 0.000 1.457 148 I CB -0.110 37.881 38.000 -0.015 0.000 1.092 148 I HN 0.306 nan 8.210 nan 0.000 0.434 149 E N 1.709 121.890 120.200 -0.033 0.000 2.169 149 E HA -0.249 4.074 4.350 -0.046 0.000 0.202 149 E C 1.636 178.149 176.600 -0.144 0.000 1.016 149 E CA 2.156 58.518 56.400 -0.064 0.000 0.817 149 E CB 0.008 29.701 29.700 -0.011 0.000 0.736 149 E HN 0.791 nan 8.360 nan 0.000 0.462 150 S N -1.043 114.605 115.700 -0.087 0.000 2.650 150 S HA 0.207 4.649 4.470 -0.046 0.000 0.240 150 S C 1.543 176.122 174.600 -0.036 0.000 1.007 150 S CA -0.423 57.715 58.200 -0.103 0.000 0.984 150 S CB 0.139 63.397 63.200 0.097 0.000 0.910 150 S HN 0.118 nan 8.310 nan 0.000 0.509 151 L N 1.397 122.595 121.223 -0.042 0.000 2.043 151 L HA -0.048 4.264 4.340 -0.046 0.000 0.212 151 L C -0.646 176.227 176.870 0.005 0.000 1.075 151 L CA 1.479 56.314 54.840 -0.008 0.000 0.752 151 L CB -1.801 40.249 42.059 -0.016 0.000 0.891 151 L HN 0.261 nan 8.230 nan 0.000 0.432 152 P HA -0.161 nan 4.420 nan 0.000 0.216 152 P C 1.623 179.005 177.300 0.137 0.000 1.153 152 P CA 1.427 64.535 63.100 0.013 0.000 0.848 152 P CB -0.110 31.578 31.700 -0.020 0.000 0.787 153 F N -0.387 119.596 119.950 0.055 0.000 2.095 153 F HA -0.119 4.380 4.527 -0.047 0.000 0.298 153 F C 2.448 178.251 175.800 0.005 0.000 1.104 153 F CA 0.646 58.673 58.000 0.045 0.000 1.232 153 F CB -1.839 37.184 39.000 0.039 0.000 0.987 153 F HN -0.191 nan 8.300 nan 0.000 0.475 154 L N -0.466 120.885 121.223 0.214 0.000 2.042 154 L HA -0.217 4.095 4.340 -0.046 0.000 0.210 154 L C 2.470 179.363 176.870 0.037 0.000 1.076 154 L CA 1.680 56.581 54.840 0.102 0.000 0.749 154 L CB -0.637 41.467 42.059 0.074 0.000 0.893 154 L HN 0.072 nan 8.230 nan 0.000 0.432 155 E N 0.511 120.735 120.200 0.039 0.000 2.072 155 E HA -0.170 4.152 4.350 -0.046 0.000 0.191 155 E C 2.106 178.706 176.600 0.001 0.000 0.985 155 E CA 1.439 57.844 56.400 0.008 0.000 0.801 155 E CB -0.133 29.572 29.700 0.008 0.000 0.750 155 E HN 0.343 nan 8.360 nan 0.000 0.452 156 A N 1.545 124.386 122.820 0.035 0.000 1.873 156 A HA -0.202 4.090 4.320 -0.046 0.000 0.218 156 A C 2.429 179.974 177.584 -0.066 0.000 1.193 156 A CA 2.197 54.245 52.037 0.018 0.000 0.629 156 A CB -1.213 17.843 19.000 0.093 0.000 0.826 156 A HN 0.548 nan 8.150 nan 0.000 0.447 157 I N -2.693 117.785 120.570 -0.153 0.000 2.286 157 I HA -0.230 3.912 4.170 -0.046 0.000 0.248 157 I C 2.418 178.373 176.117 -0.270 0.000 1.115 157 I CA 2.090 63.114 61.300 -0.461 0.000 1.392 157 I CB -0.520 36.856 38.000 -1.039 0.000 1.065 157 I HN 0.308 nan 8.210 nan 0.000 0.418 158 R N 0.912 121.362 120.500 -0.082 0.000 2.094 158 R HA -0.237 4.075 4.340 -0.046 0.000 0.239 158 R C 2.449 178.751 176.300 0.003 0.000 1.137 158 R CA 2.482 58.581 56.100 -0.002 0.000 0.943 158 R CB -0.359 29.912 30.300 -0.048 0.000 0.850 158 R HN 0.576 nan 8.270 nan 0.000 0.433 159 Q N -0.190 119.594 119.800 -0.026 0.000 1.998 159 Q HA -0.259 4.053 4.340 -0.046 0.000 0.209 159 Q C 2.334 178.332 176.000 -0.002 0.000 1.002 159 Q CA 2.457 58.252 55.803 -0.015 0.000 0.858 159 Q CB -0.209 28.515 28.738 -0.024 0.000 0.932 159 Q HN 0.412 nan 8.270 nan 0.000 0.416 160 M N -0.062 119.519 119.600 -0.033 0.000 2.088 160 M HA -0.283 4.169 4.480 -0.046 0.000 0.256 160 M C 2.434 178.771 176.300 0.062 0.000 1.071 160 M CA 1.730 57.018 55.300 -0.021 0.000 1.097 160 M CB -0.690 31.868 32.600 -0.070 0.000 1.315 160 M HN 0.342 nan 8.290 nan 0.000 0.406 161 A N -0.072 122.821 122.820 0.121 0.000 1.917 161 A HA -0.147 4.145 4.320 -0.046 0.000 0.219 161 A C 2.246 179.944 177.584 0.191 0.000 1.182 161 A CA 2.136 54.331 52.037 0.265 0.000 0.633 161 A CB -1.105 18.183 19.000 0.480 0.000 0.819 161 A HN 0.348 nan 8.150 nan 0.000 0.448 162 V N 0.517 120.506 119.914 0.126 0.000 2.223 162 V HA -0.305 3.787 4.120 -0.046 0.000 0.244 162 V C 2.464 178.603 176.094 0.076 0.000 1.045 162 V CA 2.344 64.698 62.300 0.089 0.000 1.000 162 V CB -1.130 30.723 31.823 0.050 0.000 0.635 162 V HN 0.756 nan 8.190 nan 0.000 0.445 163 E N 0.273 120.505 120.200 0.053 0.000 2.065 163 E HA -0.267 4.055 4.350 -0.046 0.000 0.201 163 E C 2.145 178.782 176.600 0.062 0.000 1.016 163 E CA 1.939 58.365 56.400 0.042 0.000 0.818 163 E CB -0.402 29.310 29.700 0.021 0.000 0.749 163 E HN 0.551 nan 8.360 nan 0.000 0.453 164 I N 0.737 121.354 120.570 0.079 0.000 2.493 164 I HA -0.062 4.080 4.170 -0.046 0.000 0.254 164 I C 1.163 177.378 176.117 0.164 0.000 1.160 164 I CA 0.846 62.212 61.300 0.110 0.000 1.445 164 I CB -0.639 37.436 38.000 0.125 0.000 1.086 164 I HN 0.229 nan 8.210 nan 0.000 0.433 165 G N 1.379 110.278 108.800 0.164 0.000 2.719 165 G HA2 -0.235 3.697 3.960 -0.046 0.000 0.686 165 G HA3 -0.235 3.697 3.960 -0.046 0.000 0.686 165 G C 0.535 175.564 174.900 0.214 0.000 1.201 165 G CA -0.040 45.165 45.100 0.176 0.000 0.768 165 G HN 0.440 nan 8.290 nan 0.000 0.629 166 R N 0.244 120.848 120.500 0.173 0.000 2.316 166 R HA 0.094 4.406 4.340 -0.046 0.000 0.202 166 R C 1.547 177.924 176.300 0.128 0.000 1.029 166 R CA 1.678 57.884 56.100 0.176 0.000 1.018 166 R CB -0.039 30.344 30.300 0.138 0.000 0.888 166 R HN 0.644 nan 8.270 nan 0.000 0.471 167 E N -0.192 120.045 120.200 0.061 0.000 2.482 167 E HA -0.058 4.264 4.350 -0.046 0.000 0.196 167 E C 0.100 176.416 176.600 -0.474 0.000 1.047 167 E CA 0.447 56.740 56.400 -0.178 0.000 0.869 167 E CB 0.289 29.843 29.700 -0.243 0.000 0.836 167 E HN 0.541 nan 8.360 nan 0.000 0.520 168 H N -1.053 118.140 119.070 0.206 0.000 3.124 168 H HA 0.135 4.663 4.556 -0.047 0.000 0.250 168 H C -0.380 175.023 175.328 0.125 0.000 1.184 168 H CA 0.151 56.222 56.048 0.038 0.000 1.013 168 H CB 0.710 30.439 29.762 -0.055 0.000 1.891 168 H HN 0.017 nan 8.280 nan 0.000 0.687 169 T N -0.351 114.454 114.554 0.419 0.000 2.912 169 T HA 0.702 5.025 4.350 -0.046 0.000 0.299 169 T C -0.417 174.485 174.700 0.336 0.000 1.052 169 T CA -0.707 61.599 62.100 0.343 0.000 0.996 169 T CB 2.625 71.707 68.868 0.357 0.000 1.070 169 T HN 0.032 nan 8.240 nan 0.000 0.465 170 L N 1.629 122.955 121.223 0.173 0.000 2.393 170 L HA 0.677 4.989 4.340 -0.046 0.000 0.260 170 L C -1.494 175.351 176.870 -0.042 0.000 1.002 170 L CA -1.144 53.776 54.840 0.133 0.000 0.818 170 L CB 2.548 44.641 42.059 0.055 0.000 1.369 170 L HN 0.686 nan 8.230 nan 0.000 0.412 171 F N 2.569 122.654 119.950 0.224 0.000 2.382 171 F HA 0.460 4.963 4.527 -0.039 0.000 0.361 171 F C 0.126 176.031 175.800 0.175 0.000 1.109 171 F CA -0.255 57.884 58.000 0.232 0.000 1.031 171 F CB 1.642 40.751 39.000 0.180 0.000 1.234 171 F HN 0.241 nan 8.300 nan 0.000 0.445 172 M N 4.806 124.562 119.600 0.260 0.000 2.061 172 M HA 0.335 4.787 4.480 -0.046 0.000 0.346 172 M C -1.514 174.937 176.300 0.251 0.000 1.112 172 M CA -0.494 54.923 55.300 0.195 0.000 1.021 172 M CB 0.411 33.066 32.600 0.090 0.000 1.530 172 M HN 0.608 nan 8.290 nan 0.000 0.437 173 H N 4.257 123.397 119.070 0.117 0.000 2.511 173 H HA 0.513 5.042 4.556 -0.045 0.000 0.328 173 H C -1.714 173.647 175.328 0.055 0.000 1.044 173 H CA -0.383 55.725 56.048 0.100 0.000 1.212 173 H CB 1.010 30.837 29.762 0.108 0.000 1.428 173 H HN 0.666 nan 8.280 nan 0.000 0.483 174 L N 4.059 125.061 121.223 -0.369 0.000 2.326 174 L HA 0.421 4.733 4.340 -0.046 0.000 0.278 174 L C 0.566 177.163 176.870 -0.455 0.000 1.092 174 L CA 0.248 54.908 54.840 -0.300 0.000 0.810 174 L CB 1.577 43.535 42.059 -0.170 0.000 1.153 174 L HN 0.728 nan 8.230 nan 0.000 0.439 175 T N 2.781 117.191 114.554 -0.241 0.000 2.883 175 T HA 0.613 4.935 4.350 -0.046 0.000 0.296 175 T C -1.565 173.084 174.700 -0.086 0.000 1.117 175 T CA -0.569 61.431 62.100 -0.166 0.000 1.006 175 T CB 1.095 69.914 68.868 -0.082 0.000 1.191 175 T HN 0.357 nan 8.240 nan 0.000 0.508 176 L N 3.735 124.925 121.223 -0.056 0.000 2.282 176 L HA 0.743 5.055 4.340 -0.046 0.000 0.288 176 L C -1.063 175.789 176.870 -0.029 0.000 1.033 176 L CA -0.306 54.511 54.840 -0.038 0.000 0.807 176 L CB 1.327 43.368 42.059 -0.029 0.000 1.209 176 L HN 0.445 nan 8.230 nan 0.000 0.423 177 V N 7.363 127.264 119.914 -0.022 0.000 2.276 177 V HA 0.405 4.498 4.120 -0.046 0.000 0.268 177 V C -2.118 173.980 176.094 0.006 0.000 1.032 177 V CA -1.364 60.927 62.300 -0.015 0.000 0.810 177 V CB 0.734 32.550 31.823 -0.012 0.000 1.060 177 V HN 0.677 nan 8.190 nan 0.000 0.446 178 P HA 0.157 nan 4.420 nan 0.000 0.272 178 P C -1.123 176.216 177.300 0.066 0.000 1.240 178 P CA -0.189 62.927 63.100 0.028 0.000 0.791 178 P CB 0.664 32.361 31.700 -0.005 0.000 0.978 179 Y N 1.665 121.945 120.300 -0.033 0.000 2.331 179 Y HA 0.456 4.979 4.550 -0.046 0.000 0.338 179 Y C -0.573 175.310 175.900 -0.028 0.000 0.992 179 Y CA -0.963 57.119 58.100 -0.030 0.000 1.121 179 Y CB 1.053 39.498 38.460 -0.026 0.000 1.184 179 Y HN 0.127 nan 8.280 nan 0.000 0.469 180 M N 7.025 126.190 119.600 -0.725 0.000 2.111 180 M HA 0.303 4.755 4.480 -0.046 0.000 0.351 180 M C 1.132 176.994 176.300 -0.730 0.000 1.214 180 M CA -0.215 54.760 55.300 -0.542 0.000 1.120 180 M CB 0.252 32.658 32.600 -0.323 0.000 1.443 180 M HN 1.004 nan 8.290 nan 0.000 0.429 181 A N 3.782 126.334 122.820 -0.447 0.000 1.881 181 A HA -0.230 4.063 4.320 -0.046 0.000 0.219 181 A C 2.201 179.691 177.584 -0.156 0.000 1.215 181 A CA 2.848 54.774 52.037 -0.185 0.000 0.648 181 A CB -0.828 18.180 19.000 0.012 0.000 0.832 181 A HN 0.828 nan 8.150 nan 0.000 0.455 182 A N -0.564 122.181 122.820 -0.126 0.000 1.849 182 A HA -0.195 4.097 4.320 -0.046 0.000 0.217 182 A C 2.608 180.127 177.584 -0.108 0.000 1.202 182 A CA 3.200 55.184 52.037 -0.088 0.000 0.629 182 A CB -1.338 17.620 19.000 -0.070 0.000 0.834 182 A HN 1.244 nan 8.150 nan 0.000 0.447 183 S N -0.946 114.661 115.700 -0.154 0.000 2.419 183 S HA 0.173 4.615 4.470 -0.046 0.000 0.233 183 S C 1.576 176.080 174.600 -0.160 0.000 1.016 183 S CA 1.689 59.802 58.200 -0.145 0.000 0.974 183 S CB -0.858 62.249 63.200 -0.154 0.000 0.786 183 S HN 2.211 nan 8.310 nan 0.000 0.492 184 G N 0.343 108.969 108.800 -0.291 0.000 2.198 184 G HA2 -0.257 3.675 3.960 -0.046 0.000 0.260 184 G HA3 -0.257 3.675 3.960 -0.046 0.000 0.260 184 G C -0.178 174.643 174.900 -0.132 0.000 1.025 184 G CA 0.620 45.603 45.100 -0.196 0.000 0.769 184 G HN 0.721 nan 8.290 nan 0.000 0.507 185 E N -1.216 118.782 120.200 -0.337 0.000 2.336 185 E HA 0.624 4.946 4.350 -0.046 0.000 0.267 185 E C 0.416 176.938 176.600 -0.130 0.000 0.906 185 E CA -0.645 55.689 56.400 -0.111 0.000 0.781 185 E CB 2.519 32.168 29.700 -0.085 0.000 1.261 185 E HN 0.621 nan 8.360 nan 0.000 0.436 186 V N 0.483 120.426 119.914 0.048 0.000 2.686 186 V HA 0.541 4.633 4.120 -0.046 0.000 0.295 186 V C -0.524 175.553 176.094 -0.027 0.000 1.057 186 V CA -0.748 61.584 62.300 0.054 0.000 1.012 186 V CB 1.158 33.039 31.823 0.097 0.000 1.006 186 V HN 0.433 nan 8.190 nan 0.000 0.477 187 K N 2.687 123.059 120.400 -0.047 0.000 2.206 187 K HA 0.420 4.713 4.320 -0.046 0.000 0.264 187 K C 0.892 177.443 176.600 -0.082 0.000 0.967 187 K CA 0.183 56.422 56.287 -0.080 0.000 0.844 187 K CB 1.708 34.150 32.500 -0.097 0.000 1.099 187 K HN 0.993 nan 8.250 nan 0.000 0.441 188 T N -1.762 112.726 114.554 -0.111 0.000 3.037 188 T HA -0.005 4.317 4.350 -0.046 0.000 0.251 188 T C 1.610 176.220 174.700 -0.150 0.000 1.079 188 T CA 0.162 62.190 62.100 -0.119 0.000 1.067 188 T CB 0.205 68.982 68.868 -0.152 0.000 0.948 188 T HN 0.371 nan 8.240 nan 0.000 0.496 189 K N 2.828 123.115 120.400 -0.189 0.000 2.032 189 K HA -0.084 4.208 4.320 -0.046 0.000 0.218 189 K C -0.808 175.614 176.600 -0.297 0.000 1.054 189 K CA 2.182 58.307 56.287 -0.269 0.000 0.941 189 K CB -1.311 31.003 32.500 -0.310 0.000 0.720 189 K HN 0.322 nan 8.250 nan 0.000 0.449 190 P HA -0.164 nan 4.420 nan 0.000 0.216 190 P C 1.022 178.297 177.300 -0.040 0.000 1.154 190 P CA 1.758 64.774 63.100 -0.140 0.000 0.865 190 P CB -0.228 31.424 31.700 -0.081 0.000 0.789 191 T N -0.163 114.370 114.554 -0.036 0.000 2.684 191 T HA -0.206 4.116 4.350 -0.046 0.000 0.267 191 T C 1.887 176.623 174.700 0.059 0.000 1.036 191 T CA 1.542 63.658 62.100 0.027 0.000 1.148 191 T CB -0.758 68.117 68.868 0.012 0.000 0.863 191 T HN 0.322 nan 8.240 nan 0.000 0.436 192 Q N 0.387 120.194 119.800 0.012 0.000 2.029 192 Q HA -0.204 4.108 4.340 -0.046 0.000 0.209 192 Q C 2.165 178.276 176.000 0.186 0.000 0.999 192 Q CA 1.950 57.797 55.803 0.072 0.000 0.857 192 Q CB -0.461 28.293 28.738 0.026 0.000 0.926 192 Q HN 0.729 nan 8.270 nan 0.000 0.415 193 H N -0.501 118.570 119.070 0.002 0.000 2.387 193 H HA -0.087 4.465 4.556 -0.006 0.000 0.299 193 H C 2.520 177.861 175.328 0.022 0.000 1.090 193 H CA 0.734 56.786 56.048 0.007 0.000 1.332 193 H CB 0.098 29.861 29.762 0.002 0.000 1.386 193 H HN 0.194 nan 8.280 nan 0.000 0.516 194 S N 0.234 116.039 115.700 0.175 0.000 2.348 194 S HA -0.140 4.302 4.470 -0.046 0.000 0.221 194 S C 2.379 177.036 174.600 0.094 0.000 1.033 194 S CA 1.151 59.444 58.200 0.155 0.000 1.010 194 S CB -0.439 62.893 63.200 0.219 0.000 0.891 194 S HN 0.164 nan 8.310 nan 0.000 0.442 195 V N 2.083 122.047 119.914 0.083 0.000 2.392 195 V HA -0.190 3.902 4.120 -0.046 0.000 0.249 195 V C 2.501 178.584 176.094 -0.019 0.000 1.059 195 V CA 2.281 64.581 62.300 -0.000 0.000 1.051 195 V CB -0.696 31.151 31.823 0.040 0.000 0.658 195 V HN 0.542 nan 8.190 nan 0.000 0.455 196 K N -0.196 120.216 120.400 0.019 0.000 2.032 196 K HA -0.239 4.053 4.320 -0.046 0.000 0.209 196 K C 2.185 178.767 176.600 -0.030 0.000 1.048 196 K CA 1.720 58.001 56.287 -0.010 0.000 0.927 196 K CB -0.163 32.325 32.500 -0.021 0.000 0.712 196 K HN 0.359 nan 8.250 nan 0.000 0.441 197 E N 0.821 121.013 120.200 -0.014 0.000 2.097 197 E HA -0.225 4.097 4.350 -0.046 0.000 0.196 197 E C 2.067 178.638 176.600 -0.050 0.000 1.000 197 E CA 1.152 57.541 56.400 -0.019 0.000 0.804 197 E CB -0.188 29.522 29.700 0.016 0.000 0.740 197 E HN 0.405 nan 8.360 nan 0.000 0.454 198 L N 0.188 121.358 121.223 -0.088 0.000 2.027 198 L HA -0.160 4.152 4.340 -0.046 0.000 0.206 198 L C 2.594 179.385 176.870 -0.132 0.000 1.074 198 L CA 0.726 55.480 54.840 -0.144 0.000 0.745 198 L CB -0.320 41.590 42.059 -0.249 0.000 0.898 198 L HN 0.141 nan 8.230 nan 0.000 0.433 199 L N -1.019 120.138 121.223 -0.109 0.000 2.079 199 L HA -0.232 4.080 4.340 -0.046 0.000 0.210 199 L C 2.596 179.420 176.870 -0.078 0.000 1.081 199 L CA 1.130 55.913 54.840 -0.095 0.000 0.752 199 L CB -0.561 41.459 42.059 -0.065 0.000 0.896 199 L HN 0.218 nan 8.230 nan 0.000 0.433 200 S N 0.396 116.058 115.700 -0.063 0.000 2.440 200 S HA -0.113 4.329 4.470 -0.046 0.000 0.238 200 S C 1.554 176.122 174.600 -0.053 0.000 1.010 200 S CA 1.300 59.469 58.200 -0.051 0.000 0.972 200 S CB -0.309 62.866 63.200 -0.042 0.000 0.774 200 S HN 0.584 nan 8.310 nan 0.000 0.501 201 I N -2.878 117.652 120.570 -0.067 0.000 3.927 201 I HA 0.555 4.698 4.170 -0.046 0.000 0.332 201 I C 1.050 177.116 176.117 -0.085 0.000 1.485 201 I CA 0.032 61.294 61.300 -0.064 0.000 1.131 201 I CB -0.150 37.819 38.000 -0.050 0.000 1.092 201 I HN 0.189 nan 8.210 nan 0.000 0.410 202 G N 2.030 110.772 108.800 -0.098 0.000 2.157 202 G HA2 -0.227 3.706 3.960 -0.046 0.000 0.248 202 G HA3 -0.227 3.706 3.960 -0.046 0.000 0.248 202 G C -0.063 174.726 174.900 -0.184 0.000 0.979 202 G CA 0.146 45.179 45.100 -0.112 0.000 0.650 202 G HN 0.472 nan 8.290 nan 0.000 0.529 203 I N 0.248 120.671 120.570 -0.244 0.000 2.441 203 I HA 0.532 4.674 4.170 -0.046 0.000 0.295 203 I C 0.053 175.950 176.117 -0.368 0.000 0.994 203 I CA -1.009 60.027 61.300 -0.439 0.000 1.144 203 I CB 2.006 39.665 38.000 -0.569 0.000 1.314 203 I HN 0.086 nan 8.210 nan 0.000 0.445 204 Q N 9.042 128.597 119.800 -0.409 0.000 2.401 204 Q HA 0.434 4.746 4.340 -0.046 0.000 0.260 204 Q C -2.567 173.328 176.000 -0.174 0.000 1.034 204 Q CA -1.999 53.671 55.803 -0.222 0.000 0.737 204 Q CB 1.300 29.966 28.738 -0.119 0.000 1.227 204 Q HN 0.193 nan 8.270 nan 0.000 0.488 205 P HA -0.041 nan 4.420 nan 0.000 0.267 205 P C -0.578 176.812 177.300 0.151 0.000 1.195 205 P CA 0.321 63.465 63.100 0.075 0.000 0.773 205 P CB 0.913 32.650 31.700 0.061 0.000 0.837 206 D N 0.597 121.151 120.400 0.256 0.000 2.431 206 D HA 0.198 4.810 4.640 -0.046 0.000 0.227 206 D C 0.670 177.063 176.300 0.155 0.000 1.030 206 D CA 0.863 54.998 54.000 0.226 0.000 0.897 206 D CB 0.595 41.566 40.800 0.284 0.000 1.058 206 D HN 0.325 nan 8.370 nan 0.000 0.500 207 I N 0.866 121.520 120.570 0.140 0.000 2.686 207 I HA 0.273 4.415 4.170 -0.046 0.000 0.295 207 I C -1.146 175.018 176.117 0.079 0.000 1.114 207 I CA -0.653 60.677 61.300 0.050 0.000 1.038 207 I CB 3.028 41.050 38.000 0.037 0.000 1.238 207 I HN -0.328 nan 8.210 nan 0.000 0.420 208 L N 6.184 127.423 121.223 0.028 0.000 2.333 208 L HA 0.567 4.879 4.340 -0.046 0.000 0.280 208 L C -0.787 176.081 176.870 -0.003 0.000 1.004 208 L CA -0.343 54.525 54.840 0.047 0.000 0.820 208 L CB 1.758 43.856 42.059 0.065 0.000 1.247 208 L HN 0.413 nan 8.230 nan 0.000 0.416 209 I N 2.680 123.241 120.570 -0.015 0.000 2.371 209 I HA 0.212 4.355 4.170 -0.046 0.000 0.282 209 I C -0.539 175.544 176.117 -0.057 0.000 1.031 209 I CA -0.387 60.887 61.300 -0.044 0.000 1.180 209 I CB 1.066 39.035 38.000 -0.053 0.000 1.336 209 I HN 0.576 nan 8.210 nan 0.000 0.467 210 C N 6.304 125.578 119.300 -0.043 0.000 2.416 210 C HA 0.286 4.718 4.460 -0.046 0.000 0.355 210 C C 0.835 175.798 174.990 -0.045 0.000 1.211 210 C CA -0.773 58.221 59.018 -0.040 0.000 1.699 210 C CB -1.137 26.588 27.740 -0.026 0.000 2.310 210 C HN 0.569 nan 8.230 nan 0.000 0.539 211 R N 2.581 123.051 120.500 -0.051 0.000 2.297 211 R HA 0.672 4.985 4.340 -0.046 0.000 0.308 211 R C -0.001 176.278 176.300 -0.034 0.000 1.029 211 R CA 0.103 56.174 56.100 -0.049 0.000 0.929 211 R CB 1.619 31.884 30.300 -0.057 0.000 1.046 211 R HN 0.752 nan 8.270 nan 0.000 0.461 212 S N -0.127 115.555 115.700 -0.030 0.000 2.643 212 S HA 0.116 4.558 4.470 -0.046 0.000 0.270 212 S C -0.059 174.524 174.600 -0.028 0.000 1.166 212 S CA -0.615 57.575 58.200 -0.017 0.000 0.815 212 S CB 1.127 64.324 63.200 -0.006 0.000 1.139 212 S HN 0.681 nan 8.310 nan 0.000 0.472 213 D N 0.827 121.210 120.400 -0.027 0.000 2.289 213 D HA 0.023 4.635 4.640 -0.046 0.000 0.207 213 D C 0.654 176.912 176.300 -0.070 0.000 0.966 213 D CA 0.345 54.316 54.000 -0.048 0.000 0.868 213 D CB 0.002 40.773 40.800 -0.050 0.000 0.943 213 D HN 0.603 nan 8.370 nan 0.000 0.514 214 R N -0.164 120.290 120.500 -0.075 0.000 2.888 214 R HA 0.723 5.035 4.340 -0.046 0.000 0.266 214 R C -0.633 175.636 176.300 -0.052 0.000 1.020 214 R CA -1.015 55.034 56.100 -0.085 0.000 0.963 214 R CB 1.314 31.527 30.300 -0.144 0.000 1.197 214 R HN -0.097 nan 8.270 nan 0.000 0.481 215 A N 1.280 124.072 122.820 -0.046 0.000 2.425 215 A HA 0.337 4.630 4.320 -0.046 0.000 0.242 215 A C 0.075 177.647 177.584 -0.020 0.000 1.077 215 A CA -0.569 51.450 52.037 -0.031 0.000 0.781 215 A CB 0.484 19.467 19.000 -0.028 0.000 1.020 215 A HN 0.442 nan 8.150 nan 0.000 0.494 216 V N 4.452 124.357 119.914 -0.015 0.000 2.408 216 V HA 0.228 4.320 4.120 -0.046 0.000 0.267 216 V C -2.024 174.068 176.094 -0.002 0.000 1.047 216 V CA -1.243 61.054 62.300 -0.005 0.000 0.937 216 V CB 0.577 32.396 31.823 -0.007 0.000 0.999 216 V HN 0.758 nan 8.190 nan 0.000 0.472 217 P HA 0.074 nan 4.420 nan 0.000 0.266 217 P C 0.804 178.109 177.300 0.009 0.000 1.195 217 P CA 0.145 63.250 63.100 0.008 0.000 0.768 217 P CB 0.842 32.552 31.700 0.016 0.000 0.838 218 A N 4.175 126.999 122.820 0.007 0.000 1.917 218 A HA -0.317 3.975 4.320 -0.046 0.000 0.219 218 A C 2.109 179.705 177.584 0.019 0.000 1.182 218 A CA 2.510 54.552 52.037 0.009 0.000 0.633 218 A CB -1.694 17.310 19.000 0.007 0.000 0.819 218 A HN 0.723 nan 8.150 nan 0.000 0.448 219 N N -0.274 118.438 118.700 0.021 0.000 2.021 219 N HA -0.256 4.456 4.740 -0.046 0.000 0.198 219 N C 1.507 177.041 175.510 0.039 0.000 1.041 219 N CA 2.350 55.418 53.050 0.029 0.000 0.862 219 N CB -0.480 38.021 38.487 0.024 0.000 1.048 219 N HN 0.522 nan 8.380 nan 0.000 0.427 220 E N -0.224 119.991 120.200 0.026 0.000 2.051 220 E HA -0.053 4.269 4.350 -0.046 0.000 0.192 220 E C 2.205 178.827 176.600 0.036 0.000 0.991 220 E CA 0.964 57.376 56.400 0.020 0.000 0.799 220 E CB -0.108 29.594 29.700 0.003 0.000 0.748 220 E HN 0.322 nan 8.360 nan 0.000 0.449 221 R N -0.201 120.316 120.500 0.029 0.000 2.115 221 R HA -0.243 4.070 4.340 -0.046 0.000 0.239 221 R C 2.331 178.668 176.300 0.061 0.000 1.133 221 R CA 1.562 57.681 56.100 0.031 0.000 0.935 221 R CB -0.580 29.727 30.300 0.011 0.000 0.853 221 R HN 0.219 nan 8.270 nan 0.000 0.433 222 A N 1.204 124.059 122.820 0.059 0.000 1.927 222 A HA -0.302 3.990 4.320 -0.046 0.000 0.220 222 A C 1.990 179.665 177.584 0.151 0.000 1.185 222 A CA 1.985 54.064 52.037 0.070 0.000 0.639 222 A CB -0.508 18.524 19.000 0.053 0.000 0.820 222 A HN 0.349 nan 8.150 nan 0.000 0.451 223 K N -0.165 120.367 120.400 0.220 0.000 1.970 223 K HA -0.153 4.139 4.320 -0.046 0.000 0.225 223 K C 1.768 178.735 176.600 0.612 0.000 1.045 223 K CA 1.949 58.549 56.287 0.521 0.000 1.002 223 K CB -0.525 32.092 32.500 0.194 0.000 0.743 223 K HN 0.395 nan 8.250 nan 0.000 0.445 224 I N 1.093 121.842 120.570 0.299 0.000 2.322 224 I HA -0.440 3.702 4.170 -0.046 0.000 0.235 224 I C 2.491 178.773 176.117 0.276 0.000 0.967 224 I CA 1.939 63.395 61.300 0.260 0.000 1.260 224 I CB -1.263 36.799 38.000 0.103 0.000 0.968 224 I HN 0.545 nan 8.210 nan 0.000 0.398 225 A N 0.550 123.460 122.820 0.150 0.000 1.915 225 A HA -0.276 4.017 4.320 -0.046 0.000 0.220 225 A C 2.250 179.855 177.584 0.036 0.000 1.198 225 A CA 2.348 54.425 52.037 0.068 0.000 0.647 225 A CB -0.963 18.051 19.000 0.024 0.000 0.825 225 A HN 0.403 nan 8.150 nan 0.000 0.456 226 L N -1.488 119.730 121.223 -0.008 0.000 1.943 226 L HA -0.126 4.186 4.340 -0.046 0.000 0.215 226 L C 2.372 179.066 176.870 -0.294 0.000 1.074 226 L CA 2.284 56.951 54.840 -0.288 0.000 0.759 226 L CB -0.875 40.707 42.059 -0.796 0.000 0.888 226 L HN 0.461 nan 8.230 nan 0.000 0.433 227 F N -1.615 118.338 119.950 0.006 0.000 2.373 227 F HA -0.203 4.294 4.527 -0.051 0.000 0.300 227 F C 2.340 178.146 175.800 0.010 0.000 1.080 227 F CA 0.683 58.689 58.000 0.009 0.000 1.417 227 F CB -1.303 37.706 39.000 0.014 0.000 1.070 227 F HN 0.154 nan 8.300 nan 0.000 0.546 228 C N -0.179 119.220 119.300 0.165 0.000 3.070 228 C HA 0.186 4.618 4.460 -0.046 0.000 0.280 228 C C 0.413 175.431 174.990 0.046 0.000 1.264 228 C CA -0.597 58.482 59.018 0.102 0.000 1.690 228 C CB -1.494 26.310 27.740 0.107 0.000 2.049 228 C HN 0.614 nan 8.230 nan 0.000 0.636 229 N N 0.458 119.168 118.700 0.016 0.000 2.746 229 N HA -0.151 4.562 4.740 -0.046 0.000 0.250 229 N C -0.581 174.938 175.510 0.014 0.000 1.055 229 N CA 1.145 54.193 53.050 -0.003 0.000 0.699 229 N CB -1.931 36.553 38.487 -0.006 0.000 0.919 229 N HN 0.720 nan 8.380 nan 0.000 0.548 230 V N -3.730 116.191 119.914 0.013 0.000 2.735 230 V HA 0.804 4.896 4.120 -0.046 0.000 0.310 230 V C -2.429 173.655 176.094 -0.017 0.000 1.061 230 V CA -2.042 60.264 62.300 0.010 0.000 0.913 230 V CB 2.640 34.468 31.823 0.008 0.000 1.005 230 V HN -0.080 nan 8.190 nan 0.000 0.428 231 P HA 0.179 nan 4.420 nan 0.000 0.265 231 P C 0.717 177.965 177.300 -0.086 0.000 1.193 231 P CA 0.280 63.355 63.100 -0.042 0.000 0.765 231 P CB 0.537 32.226 31.700 -0.019 0.000 0.823 232 E N 2.778 122.945 120.200 -0.055 0.000 2.147 232 E HA -0.266 4.056 4.350 -0.046 0.000 0.199 232 E C 1.496 178.038 176.600 -0.096 0.000 1.005 232 E CA 1.571 57.939 56.400 -0.054 0.000 0.810 232 E CB -0.223 29.459 29.700 -0.030 0.000 0.736 232 E HN 0.610 nan 8.360 nan 0.000 0.460 233 K N 0.444 120.772 120.400 -0.120 0.000 2.281 233 K HA -0.038 4.254 4.320 -0.046 0.000 0.203 233 K C 1.830 178.231 176.600 -0.333 0.000 1.046 233 K CA 1.276 57.461 56.287 -0.170 0.000 0.938 233 K CB -0.035 32.401 32.500 -0.108 0.000 0.737 233 K HN 0.018 nan 8.250 nan 0.000 0.458 234 A N 1.321 123.896 122.820 -0.409 0.000 2.275 234 A HA 0.170 4.462 4.320 -0.046 0.000 0.212 234 A C 0.428 177.877 177.584 -0.224 0.000 1.201 234 A CA -0.182 51.556 52.037 -0.497 0.000 0.843 234 A CB 0.333 18.971 19.000 -0.603 0.000 0.873 234 A HN 0.083 nan 8.150 nan 0.000 0.492 235 V N 3.219 123.047 119.914 -0.144 0.000 2.277 235 V HA 0.249 4.341 4.120 -0.046 0.000 0.269 235 V C -0.524 175.530 176.094 -0.067 0.000 1.036 235 V CA -0.583 61.674 62.300 -0.072 0.000 0.821 235 V CB 0.588 32.392 31.823 -0.031 0.000 1.052 235 V HN 0.282 nan 8.190 nan 0.000 0.462 236 I N 3.306 123.837 120.570 -0.065 0.000 2.428 236 I HA 0.309 4.451 4.170 -0.046 0.000 0.289 236 I C 0.706 176.797 176.117 -0.044 0.000 1.019 236 I CA 0.313 61.578 61.300 -0.057 0.000 1.351 236 I CB 1.578 39.541 38.000 -0.062 0.000 1.412 236 I HN 0.562 nan 8.210 nan 0.000 0.513 237 S N 6.559 122.235 115.700 -0.039 0.000 2.499 237 S HA 0.515 4.958 4.470 -0.046 0.000 0.279 237 S C -0.619 173.957 174.600 -0.041 0.000 1.219 237 S CA -0.489 57.690 58.200 -0.035 0.000 1.062 237 S CB 0.479 63.662 63.200 -0.028 0.000 0.978 237 S HN 0.445 nan 8.310 nan 0.000 0.489 238 L N 6.654 127.851 121.223 -0.044 0.000 2.480 238 L HA 0.463 4.775 4.340 -0.046 0.000 0.253 238 L C -0.138 176.702 176.870 -0.051 0.000 1.324 238 L CA -0.470 54.338 54.840 -0.052 0.000 0.916 238 L CB 0.572 42.593 42.059 -0.064 0.000 1.160 238 L HN 0.824 nan 8.230 nan 0.000 0.503 239 K N 0.290 120.663 120.400 -0.045 0.000 2.156 239 K HA 0.236 4.528 4.320 -0.046 0.000 0.242 239 K C -0.601 175.970 176.600 -0.049 0.000 1.033 239 K CA -0.368 55.893 56.287 -0.045 0.000 0.878 239 K CB 0.501 32.975 32.500 -0.043 0.000 1.057 239 K HN 0.289 nan 8.250 nan 0.000 0.505 240 D N 1.155 121.526 120.400 -0.048 0.000 2.348 240 D HA 0.134 4.746 4.640 -0.046 0.000 0.253 240 D C -0.345 175.927 176.300 -0.046 0.000 1.161 240 D CA -0.218 53.753 54.000 -0.049 0.000 0.876 240 D CB 1.192 41.965 40.800 -0.045 0.000 1.160 240 D HN 0.474 nan 8.370 nan 0.000 0.459 241 V N -0.166 119.719 119.914 -0.049 0.000 2.919 241 V HA 0.418 4.510 4.120 -0.046 0.000 0.316 241 V C 0.764 176.834 176.094 -0.041 0.000 1.077 241 V CA -0.865 61.410 62.300 -0.041 0.000 0.977 241 V CB 2.017 33.816 31.823 -0.040 0.000 1.039 241 V HN 0.352 nan 8.190 nan 0.000 0.441 242 D N 0.689 121.072 120.400 -0.029 0.000 2.363 242 D HA 0.104 4.717 4.640 -0.046 0.000 0.226 242 D C 0.651 176.930 176.300 -0.035 0.000 1.020 242 D CA 1.053 55.037 54.000 -0.027 0.000 0.892 242 D CB 0.253 41.044 40.800 -0.014 0.000 0.900 242 D HN 0.893 nan 8.370 nan 0.000 0.531 243 S N 0.022 115.693 115.700 -0.048 0.000 2.616 243 S HA 0.206 4.648 4.470 -0.046 0.000 0.276 243 S C 0.860 175.381 174.600 -0.133 0.000 1.159 243 S CA -0.813 57.330 58.200 -0.096 0.000 1.000 243 S CB 0.132 63.322 63.200 -0.017 0.000 1.117 243 S HN 0.190 nan 8.310 nan 0.000 0.464 244 I N 1.917 122.333 120.570 -0.256 0.000 2.399 244 I HA -0.150 3.992 4.170 -0.046 0.000 0.254 244 I C 1.199 177.293 176.117 -0.039 0.000 1.146 244 I CA 1.579 62.766 61.300 -0.190 0.000 1.412 244 I CB -0.719 37.149 38.000 -0.220 0.000 1.076 244 I HN 0.717 nan 8.210 nan 0.000 0.432 245 Y N 2.402 122.781 120.300 0.132 0.000 2.569 245 Y HA -0.059 4.463 4.550 -0.046 0.000 0.293 245 Y C 2.264 178.200 175.900 0.060 0.000 1.144 245 Y CA 0.757 58.922 58.100 0.108 0.000 1.321 245 Y CB -0.891 37.678 38.460 0.182 0.000 0.982 245 Y HN 0.346 nan 8.280 nan 0.000 0.558 246 K N -0.312 120.170 120.400 0.136 0.000 2.361 246 K HA 0.088 4.380 4.320 -0.046 0.000 0.196 246 K C 1.716 178.324 176.600 0.013 0.000 1.039 246 K CA 0.438 56.774 56.287 0.082 0.000 1.001 246 K CB 0.004 32.539 32.500 0.057 0.000 0.795 246 K HN 0.278 nan 8.250 nan 0.000 0.495 247 I N 2.180 122.744 120.570 -0.010 0.000 2.113 247 I HA -0.260 3.882 4.170 -0.046 0.000 0.242 247 I C -0.836 175.226 176.117 -0.093 0.000 1.064 247 I CA 1.587 62.849 61.300 -0.064 0.000 1.320 247 I CB -1.553 36.386 38.000 -0.102 0.000 1.028 247 I HN 0.053 nan 8.210 nan 0.000 0.406 248 P HA -0.182 nan 4.420 nan 0.000 0.213 248 P C 1.677 178.922 177.300 -0.091 0.000 1.170 248 P CA 2.159 65.148 63.100 -0.185 0.000 0.902 248 P CB -0.410 31.025 31.700 -0.440 0.000 0.789 249 G N 0.464 109.234 108.800 -0.051 0.000 2.553 249 G HA2 -0.294 3.638 3.960 -0.046 0.000 0.218 249 G HA3 -0.294 3.638 3.960 -0.046 0.000 0.218 249 G C 1.595 176.492 174.900 -0.006 0.000 1.195 249 G CA 0.924 46.028 45.100 0.006 0.000 0.779 249 G HN 0.186 nan 8.290 nan 0.000 0.577 250 L N 0.057 121.269 121.223 -0.017 0.000 1.978 250 L HA -0.151 4.161 4.340 -0.046 0.000 0.218 250 L C 3.102 179.954 176.870 -0.030 0.000 1.075 250 L CA 1.542 56.368 54.840 -0.023 0.000 0.767 250 L CB -0.932 41.105 42.059 -0.036 0.000 0.890 250 L HN 0.272 nan 8.230 nan 0.000 0.434 251 L N -0.064 121.131 121.223 -0.046 0.000 1.997 251 L HA -0.311 4.001 4.340 -0.046 0.000 0.216 251 L C 2.719 179.573 176.870 -0.028 0.000 1.074 251 L CA 2.079 56.890 54.840 -0.047 0.000 0.763 251 L CB -0.768 41.251 42.059 -0.067 0.000 0.890 251 L HN 0.346 nan 8.230 nan 0.000 0.434 252 K N 0.436 120.825 120.400 -0.019 0.000 2.097 252 K HA -0.211 4.081 4.320 -0.046 0.000 0.206 252 K C 2.334 178.936 176.600 0.003 0.000 1.049 252 K CA 1.652 57.938 56.287 -0.000 0.000 0.933 252 K CB -0.194 32.314 32.500 0.014 0.000 0.717 252 K HN 0.268 nan 8.250 nan 0.000 0.442 253 S N 0.387 116.088 115.700 0.001 0.000 2.420 253 S HA -0.216 4.227 4.470 -0.046 0.000 0.237 253 S C 1.614 176.212 174.600 -0.003 0.000 1.023 253 S CA 1.494 59.696 58.200 0.003 0.000 0.991 253 S CB -0.291 62.911 63.200 0.002 0.000 0.792 253 S HN 0.564 nan 8.310 nan 0.000 0.488 254 Q N -0.151 119.642 119.800 -0.011 0.000 2.319 254 Q HA 0.305 4.617 4.340 -0.046 0.000 0.202 254 Q C 1.342 177.333 176.000 -0.015 0.000 0.896 254 Q CA 0.285 56.077 55.803 -0.019 0.000 0.942 254 Q CB 0.279 28.997 28.738 -0.032 0.000 1.083 254 Q HN 0.774 nan 8.270 nan 0.000 0.510 255 G N 1.448 110.247 108.800 -0.002 0.000 2.143 255 G HA2 -0.299 3.633 3.960 -0.046 0.000 0.249 255 G HA3 -0.299 3.633 3.960 -0.046 0.000 0.249 255 G C 0.585 175.503 174.900 0.030 0.000 0.981 255 G CA 0.357 45.466 45.100 0.015 0.000 0.665 255 G HN 0.340 nan 8.290 nan 0.000 0.528 256 L N 1.854 123.083 121.223 0.010 0.000 2.013 256 L HA -0.078 4.234 4.340 -0.046 0.000 0.212 256 L C 2.714 179.618 176.870 0.057 0.000 1.073 256 L CA 3.309 58.163 54.840 0.023 0.000 0.753 256 L CB -0.586 41.466 42.059 -0.012 0.000 0.890 256 L HN 0.529 nan 8.230 nan 0.000 0.432 257 D N -1.560 118.858 120.400 0.029 0.000 2.104 257 D HA -0.246 4.366 4.640 -0.046 0.000 0.194 257 D C 1.671 177.986 176.300 0.025 0.000 0.994 257 D CA 1.636 55.650 54.000 0.024 0.000 0.830 257 D CB -0.920 39.893 40.800 0.022 0.000 0.959 257 D HN 0.375 nan 8.370 nan 0.000 0.452 258 D N -0.255 120.168 120.400 0.037 0.000 2.104 258 D HA -0.196 4.416 4.640 -0.046 0.000 0.194 258 D C 1.958 178.272 176.300 0.024 0.000 0.994 258 D CA 0.882 54.900 54.000 0.031 0.000 0.830 258 D CB -0.666 40.158 40.800 0.041 0.000 0.959 258 D HN 0.269 nan 8.370 nan 0.000 0.452 259 Y N 1.164 121.423 120.300 -0.068 0.000 2.053 259 Y HA -0.259 4.263 4.550 -0.047 0.000 0.277 259 Y C 2.293 178.095 175.900 -0.163 0.000 1.159 259 Y CA 1.283 59.324 58.100 -0.099 0.000 1.125 259 Y CB -0.510 37.895 38.460 -0.091 0.000 0.969 259 Y HN -0.139 nan 8.280 nan 0.000 0.492 260 I N -0.471 120.035 120.570 -0.107 0.000 2.118 260 I HA -0.386 3.756 4.170 -0.046 0.000 0.241 260 I C 2.739 178.676 176.117 -0.299 0.000 1.070 260 I CA 1.545 62.655 61.300 -0.317 0.000 1.327 260 I CB -1.146 36.763 38.000 -0.152 0.000 1.034 260 I HN 0.353 nan 8.210 nan 0.000 0.405 261 c N 0.467 119.001 118.600 -0.110 0.000 2.401 261 c HA -0.229 4.313 4.570 -0.046 0.000 0.276 261 c C 2.866 176.909 174.090 -0.079 0.000 1.233 261 c CA 1.491 57.798 56.329 -0.038 0.000 1.753 261 c CB -1.157 41.351 42.510 -0.003 0.000 2.029 261 c HN 0.562 nan 8.230 nan 0.000 0.478 262 K N 1.000 121.310 120.400 -0.150 0.000 2.025 262 K HA -0.188 4.104 4.320 -0.046 0.000 0.207 262 K C 2.216 178.675 176.600 -0.236 0.000 1.049 262 K CA 1.700 57.889 56.287 -0.163 0.000 0.933 262 K CB -0.351 32.043 32.500 -0.177 0.000 0.714 262 K HN 0.255 nan 8.250 nan 0.000 0.438 263 R N 0.005 120.242 120.500 -0.437 0.000 2.105 263 R HA -0.091 4.221 4.340 -0.046 0.000 0.239 263 R C 1.316 177.454 176.300 -0.270 0.000 1.135 263 R CA 1.543 57.342 56.100 -0.502 0.000 0.967 263 R CB -0.404 29.399 30.300 -0.827 0.000 0.861 263 R HN 0.283 nan 8.270 nan 0.000 0.442 264 F N 0.507 120.351 119.950 -0.178 0.000 2.765 264 F HA 0.320 4.819 4.527 -0.047 0.000 0.302 264 F C 0.583 176.314 175.800 -0.116 0.000 1.111 264 F CA -0.230 57.679 58.000 -0.152 0.000 1.359 264 F CB -0.230 38.715 39.000 -0.092 0.000 1.097 264 F HN -0.104 nan 8.300 nan 0.000 0.577 265 S N 1.017 116.749 115.700 0.053 0.000 3.614 265 S HA -0.201 4.241 4.470 -0.046 0.000 0.360 265 S C -0.040 174.590 174.600 0.051 0.000 1.023 265 S CA 0.202 58.418 58.200 0.026 0.000 1.114 265 S CB -2.025 61.183 63.200 0.013 0.000 0.907 265 S HN 0.236 nan 8.310 nan 0.000 0.470 266 L N 1.519 122.780 121.223 0.064 0.000 2.331 266 L HA 0.549 4.862 4.340 -0.046 0.000 0.275 266 L C 0.547 177.438 176.870 0.035 0.000 1.022 266 L CA -1.001 53.874 54.840 0.058 0.000 0.812 266 L CB 0.771 42.881 42.059 0.085 0.000 1.257 266 L HN 0.323 nan 8.230 nan 0.000 0.435 267 N N 1.360 120.076 118.700 0.028 0.000 2.422 267 N HA 0.237 4.950 4.740 -0.046 0.000 0.264 267 N C -1.309 174.215 175.510 0.023 0.000 1.063 267 N CA -0.463 52.599 53.050 0.020 0.000 0.959 267 N CB 1.129 39.625 38.487 0.016 0.000 1.087 267 N HN 0.520 nan 8.380 nan 0.000 0.483 268 c N 3.322 121.935 118.600 0.021 0.000 2.442 268 c HA 0.471 5.013 4.570 -0.046 0.000 0.335 268 c C -2.159 171.944 174.090 0.022 0.000 1.134 268 c CA -1.310 55.034 56.329 0.025 0.000 1.344 268 c CB 0.685 43.213 42.510 0.030 0.000 1.956 268 c HN 0.618 nan 8.230 nan 0.000 0.438 269 P HA 0.100 nan 4.420 nan 0.000 0.270 269 P C 0.127 177.442 177.300 0.024 0.000 1.227 269 P CA 0.243 63.355 63.100 0.021 0.000 0.788 269 P CB 0.554 32.266 31.700 0.020 0.000 0.926 270 E N 0.167 120.380 120.200 0.022 0.000 2.442 270 E HA 0.234 4.557 4.350 -0.046 0.000 0.262 270 E C 0.203 176.823 176.600 0.033 0.000 1.004 270 E CA -0.188 56.227 56.400 0.025 0.000 0.928 270 E CB 0.308 30.021 29.700 0.022 0.000 0.937 270 E HN 0.454 nan 8.360 nan 0.000 0.446 271 A N 3.369 126.213 122.820 0.040 0.000 2.386 271 A HA 0.043 4.335 4.320 -0.046 0.000 0.246 271 A C 0.216 177.834 177.584 0.057 0.000 1.089 271 A CA -0.076 51.994 52.037 0.054 0.000 0.790 271 A CB 0.140 19.178 19.000 0.064 0.000 1.042 271 A HN 0.800 nan 8.150 nan 0.000 0.497 272 N N 1.046 119.790 118.700 0.074 0.000 2.664 272 N HA 0.421 5.133 4.740 -0.046 0.000 0.257 272 N C -0.478 175.100 175.510 0.113 0.000 1.108 272 N CA -0.332 52.760 53.050 0.070 0.000 0.822 272 N CB 0.307 38.824 38.487 0.049 0.000 1.199 272 N HN 0.561 nan 8.380 nan 0.000 0.529 273 L N 2.048 123.350 121.223 0.132 0.000 2.741 273 L HA 0.150 4.462 4.340 -0.046 0.000 0.237 273 L C 1.902 178.861 176.870 0.148 0.000 1.178 273 L CA -0.110 54.866 54.840 0.226 0.000 0.973 273 L CB -0.052 42.173 42.059 0.277 0.000 1.255 273 L HN 0.491 nan 8.230 nan 0.000 0.498 274 S N 0.402 116.138 115.700 0.059 0.000 2.381 274 S HA -0.298 4.145 4.470 -0.046 0.000 0.230 274 S C 1.601 176.180 174.600 -0.034 0.000 1.052 274 S CA 1.930 60.135 58.200 0.008 0.000 1.068 274 S CB -0.372 62.816 63.200 -0.021 0.000 0.918 274 S HN 0.606 nan 8.310 nan 0.000 0.448 275 E N 0.563 120.685 120.200 -0.129 0.000 2.106 275 E HA -0.102 4.221 4.350 -0.046 0.000 0.192 275 E C 1.819 178.230 176.600 -0.315 0.000 0.984 275 E CA 1.225 57.450 56.400 -0.291 0.000 0.806 275 E CB -0.354 29.069 29.700 -0.461 0.000 0.750 275 E HN 0.729 nan 8.360 nan 0.000 0.458 276 W N 1.728 123.009 121.300 -0.032 0.000 2.381 276 W HA -0.087 4.546 4.660 -0.045 0.000 0.301 276 W C 2.181 178.709 176.519 0.015 0.000 1.205 276 W CA 0.644 57.975 57.345 -0.023 0.000 1.285 276 W CB -0.042 29.428 29.460 0.016 0.000 1.133 276 W HN 0.057 nan 8.180 nan 0.000 0.521 277 E N -0.001 120.327 120.200 0.213 0.000 2.058 277 E HA -0.280 4.042 4.350 -0.046 0.000 0.194 277 E C 2.217 178.906 176.600 0.148 0.000 0.997 277 E CA 1.256 57.750 56.400 0.157 0.000 0.801 277 E CB -0.344 29.416 29.700 0.100 0.000 0.746 277 E HN 0.172 nan 8.360 nan 0.000 0.450 278 Q N 0.429 120.275 119.800 0.077 0.000 2.030 278 Q HA -0.163 4.149 4.340 -0.046 0.000 0.204 278 Q C 2.425 178.509 176.000 0.140 0.000 0.986 278 Q CA 1.249 57.113 55.803 0.102 0.000 0.843 278 Q CB -0.375 28.364 28.738 0.001 0.000 0.904 278 Q HN 0.214 nan 8.270 nan 0.000 0.420 279 V N 1.036 120.968 119.914 0.030 0.000 2.282 279 V HA -0.295 3.797 4.120 -0.046 0.000 0.249 279 V C 2.408 178.560 176.094 0.098 0.000 1.057 279 V CA 1.860 64.156 62.300 -0.007 0.000 1.032 279 V CB -0.628 31.127 31.823 -0.113 0.000 0.645 279 V HN 0.264 nan 8.190 nan 0.000 0.447 280 I N -0.827 119.848 120.570 0.174 0.000 2.179 280 I HA -0.238 3.904 4.170 -0.046 0.000 0.242 280 I C 2.283 178.485 176.117 0.141 0.000 1.088 280 I CA 1.899 63.308 61.300 0.181 0.000 1.357 280 I CB -0.526 37.592 38.000 0.198 0.000 1.051 280 I HN 0.326 nan 8.210 nan 0.000 0.409 281 F N 2.223 122.205 119.950 0.052 0.000 2.043 281 F HA -0.297 4.202 4.527 -0.047 0.000 0.297 281 F C 2.453 178.269 175.800 0.028 0.000 1.121 281 F CA 2.137 60.157 58.000 0.034 0.000 1.199 281 F CB -0.571 38.441 39.000 0.019 0.000 0.968 281 F HN 0.102 nan 8.300 nan 0.000 0.478 282 E N -0.048 120.062 120.200 -0.149 0.000 2.097 282 E HA -0.327 3.995 4.350 -0.046 0.000 0.196 282 E C 2.129 178.595 176.600 -0.223 0.000 1.000 282 E CA 1.639 57.879 56.400 -0.267 0.000 0.804 282 E CB -0.623 29.048 29.700 -0.048 0.000 0.740 282 E HN 0.687 nan 8.360 nan 0.000 0.454 283 E N 0.834 120.983 120.200 -0.085 0.000 2.085 283 E HA -0.206 4.116 4.350 -0.046 0.000 0.194 283 E C 1.968 178.528 176.600 -0.067 0.000 0.994 283 E CA 1.211 57.600 56.400 -0.018 0.000 0.801 283 E CB -0.089 29.666 29.700 0.092 0.000 0.743 283 E HN 0.288 nan 8.360 nan 0.000 0.453 284 A N 0.310 123.062 122.820 -0.113 0.000 2.119 284 A HA -0.008 4.284 4.320 -0.046 0.000 0.216 284 A C 0.659 178.131 177.584 -0.186 0.000 1.152 284 A CA 0.425 52.394 52.037 -0.112 0.000 0.708 284 A CB 0.123 19.078 19.000 -0.074 0.000 0.805 284 A HN 0.194 nan 8.150 nan 0.000 0.460 285 N N 1.156 119.654 118.700 -0.336 0.000 2.886 285 N HA 0.237 4.949 4.740 -0.046 0.000 0.285 285 N C -3.196 172.177 175.510 -0.228 0.000 1.706 285 N CA -0.931 51.923 53.050 -0.328 0.000 0.904 285 N CB 1.020 39.185 38.487 -0.536 0.000 1.224 285 N HN 0.236 nan 8.380 nan 0.000 0.488 286 P HA 0.086 nan 4.420 nan 0.000 0.279 286 P C 1.104 178.365 177.300 -0.065 0.000 1.239 286 P CA -0.312 62.735 63.100 -0.088 0.000 0.789 286 P CB 1.558 33.222 31.700 -0.059 0.000 0.933 287 V N -0.580 119.305 119.914 -0.048 0.000 3.578 287 V HA 0.335 4.427 4.120 -0.046 0.000 0.290 287 V C 0.419 176.498 176.094 -0.025 0.000 1.376 287 V CA 0.371 62.652 62.300 -0.031 0.000 1.083 287 V CB -0.259 31.552 31.823 -0.021 0.000 0.911 287 V HN 0.659 nan 8.190 nan 0.000 0.433 288 S N 0.138 115.821 115.700 -0.029 0.000 2.567 288 S HA 0.570 5.012 4.470 -0.046 0.000 0.270 288 S C -1.470 173.114 174.600 -0.027 0.000 1.152 288 S CA -0.138 58.047 58.200 -0.025 0.000 0.835 288 S CB 2.181 65.366 63.200 -0.025 0.000 1.115 288 S HN 0.794 nan 8.310 nan 0.000 0.459 289 E N 1.679 121.865 120.200 -0.023 0.000 2.314 289 E HA 0.696 5.018 4.350 -0.046 0.000 0.272 289 E C -1.139 175.448 176.600 -0.022 0.000 0.884 289 E CA -0.944 55.442 56.400 -0.024 0.000 0.753 289 E CB 2.096 31.785 29.700 -0.019 0.000 1.213 289 E HN 0.850 nan 8.360 nan 0.000 0.432 290 V N -0.099 119.796 119.914 -0.032 0.000 3.141 290 V HA 0.721 4.814 4.120 -0.046 0.000 0.312 290 V C -0.564 175.508 176.094 -0.036 0.000 1.157 290 V CA -0.741 61.538 62.300 -0.035 0.000 1.041 290 V CB 1.861 33.642 31.823 -0.071 0.000 1.071 290 V HN 0.700 nan 8.190 nan 0.000 0.441 291 T N 3.051 117.586 114.554 -0.032 0.000 2.864 291 T HA 0.627 4.949 4.350 -0.046 0.000 0.310 291 T C -0.419 174.248 174.700 -0.054 0.000 1.040 291 T CA 0.042 62.124 62.100 -0.030 0.000 0.977 291 T CB 0.466 69.331 68.868 -0.006 0.000 0.976 291 T HN 0.604 nan 8.240 nan 0.000 0.459 292 I N 2.494 123.029 120.570 -0.059 0.000 2.359 292 I HA 0.495 4.637 4.170 -0.046 0.000 0.294 292 I C 0.915 177.015 176.117 -0.028 0.000 0.987 292 I CA -0.727 60.539 61.300 -0.056 0.000 1.225 292 I CB 1.509 39.480 38.000 -0.048 0.000 1.366 292 I HN 0.655 nan 8.210 nan 0.000 0.466 293 G N 7.061 115.844 108.800 -0.027 0.000 2.329 293 G HA2 0.452 4.384 3.960 -0.046 0.000 0.309 293 G HA3 0.452 4.384 3.960 -0.046 0.000 0.309 293 G C -0.454 174.404 174.900 -0.069 0.000 1.110 293 G CA -0.517 44.556 45.100 -0.046 0.000 0.923 293 G HN 0.500 nan 8.290 nan 0.000 0.430 294 M N 4.115 123.653 119.600 -0.103 0.000 2.080 294 M HA 0.257 4.709 4.480 -0.046 0.000 0.350 294 M C -0.776 175.405 176.300 -0.199 0.000 1.143 294 M CA -0.454 54.740 55.300 -0.177 0.000 1.064 294 M CB 1.152 33.629 32.600 -0.205 0.000 1.429 294 M HN 0.150 nan 8.290 nan 0.000 0.418 295 V N 4.346 124.144 119.914 -0.193 0.000 2.350 295 V HA 0.848 4.940 4.120 -0.046 0.000 0.276 295 V C 0.532 176.506 176.094 -0.199 0.000 1.028 295 V CA -0.395 61.806 62.300 -0.165 0.000 0.860 295 V CB 0.613 32.367 31.823 -0.115 0.000 0.990 295 V HN 1.004 nan 8.190 nan 0.000 0.453 296 G N 4.317 113.001 108.800 -0.192 0.000 2.753 296 G HA2 0.450 4.382 3.960 -0.046 0.000 0.303 296 G HA3 0.450 4.382 3.960 -0.046 0.000 0.303 296 G C -0.128 174.697 174.900 -0.125 0.000 1.242 296 G CA -0.081 44.912 45.100 -0.179 0.000 0.810 296 G HN 0.531 nan 8.290 nan 0.000 0.515 297 K N -0.961 119.350 120.400 -0.150 0.000 2.218 297 K HA 0.142 4.434 4.320 -0.046 0.000 0.222 297 K C 1.574 178.150 176.600 -0.039 0.000 1.030 297 K CA 0.568 56.738 56.287 -0.196 0.000 0.946 297 K CB -0.536 31.715 32.500 -0.414 0.000 1.000 297 K HN 0.413 nan 8.250 nan 0.000 0.461 298 Y N 3.037 123.438 120.300 0.170 0.000 2.766 298 Y HA 0.007 4.530 4.550 -0.046 0.000 0.341 298 Y C 1.590 177.592 175.900 0.169 0.000 1.217 298 Y CA -0.446 57.714 58.100 0.100 0.000 1.289 298 Y CB -1.545 36.894 38.460 -0.035 0.000 1.060 298 Y HN 0.227 nan 8.280 nan 0.000 0.496 299 I N -1.302 119.462 120.570 0.325 0.000 3.055 299 I HA -0.223 3.919 4.170 -0.046 0.000 0.277 299 I C 0.920 177.140 176.117 0.171 0.000 1.306 299 I CA 0.817 62.278 61.300 0.268 0.000 1.426 299 I CB -0.784 37.293 38.000 0.129 0.000 1.081 299 I HN 0.111 nan 8.210 nan 0.000 0.502 300 E N 0.697 120.986 120.200 0.149 0.000 2.463 300 E HA 0.230 4.552 4.350 -0.046 0.000 0.191 300 E C 0.339 176.991 176.600 0.087 0.000 1.083 300 E CA 0.193 56.652 56.400 0.098 0.000 0.872 300 E CB 0.061 29.808 29.700 0.078 0.000 0.966 300 E HN 0.359 nan 8.360 nan 0.000 0.491 301 L N 0.358 121.646 121.223 0.109 0.000 2.559 301 L HA 0.255 4.567 4.340 -0.046 0.000 0.276 301 L C -2.147 174.774 176.870 0.085 0.000 1.457 301 L CA -2.006 52.875 54.840 0.067 0.000 0.708 301 L CB 1.116 43.189 42.059 0.024 0.000 0.987 301 L HN -0.147 nan 8.230 nan 0.000 0.518 302 P HA -0.307 nan 4.420 nan 0.000 0.233 302 P C 0.727 178.106 177.300 0.132 0.000 1.146 302 P CA 1.886 65.075 63.100 0.148 0.000 0.931 302 P CB 0.295 32.050 31.700 0.092 0.000 0.777 303 D N -0.961 119.479 120.400 0.066 0.000 2.311 303 D HA -0.056 4.556 4.640 -0.046 0.000 0.212 303 D C 2.082 178.386 176.300 0.007 0.000 0.972 303 D CA 1.384 55.407 54.000 0.039 0.000 0.887 303 D CB -0.749 40.055 40.800 0.007 0.000 0.915 303 D HN 0.274 nan 8.370 nan 0.000 0.497 304 A N -0.429 122.364 122.820 -0.046 0.000 2.019 304 A HA -0.163 4.129 4.320 -0.046 0.000 0.219 304 A C 0.955 178.371 177.584 -0.280 0.000 1.164 304 A CA 1.006 52.911 52.037 -0.220 0.000 0.644 304 A CB -0.429 18.366 19.000 -0.341 0.000 0.805 304 A HN 0.289 nan 8.150 nan 0.000 0.449 305 Y N -1.395 118.976 120.300 0.119 0.000 2.660 305 Y HA 0.268 4.790 4.550 -0.046 0.000 0.254 305 Y C 1.524 177.470 175.900 0.077 0.000 1.176 305 Y CA -0.610 57.553 58.100 0.106 0.000 1.195 305 Y CB 0.040 38.552 38.460 0.086 0.000 1.190 305 Y HN 0.182 nan 8.280 nan 0.000 0.535 306 K N 1.013 121.522 120.400 0.182 0.000 1.976 306 K HA -0.277 4.015 4.320 -0.046 0.000 0.233 306 K C 2.086 178.761 176.600 0.124 0.000 1.032 306 K CA 2.598 58.963 56.287 0.131 0.000 1.032 306 K CB -0.748 31.798 32.500 0.076 0.000 0.733 306 K HN 0.195 nan 8.250 nan 0.000 0.448 307 S N -0.483 115.318 115.700 0.169 0.000 2.413 307 S HA -0.193 4.250 4.470 -0.046 0.000 0.237 307 S C 1.990 176.599 174.600 0.014 0.000 1.044 307 S CA 1.519 59.819 58.200 0.167 0.000 1.024 307 S CB -0.503 62.938 63.200 0.402 0.000 0.829 307 S HN 0.214 nan 8.310 nan 0.000 0.475 308 V N 1.453 121.395 119.914 0.046 0.000 2.244 308 V HA -0.158 3.934 4.120 -0.046 0.000 0.244 308 V C 2.112 178.154 176.094 -0.087 0.000 1.042 308 V CA 1.633 63.928 62.300 -0.009 0.000 1.006 308 V CB -0.657 31.224 31.823 0.097 0.000 0.641 308 V HN 0.355 nan 8.190 nan 0.000 0.446 309 I N 0.032 120.598 120.570 -0.008 0.000 2.087 309 I HA -0.298 3.844 4.170 -0.046 0.000 0.240 309 I C 2.697 178.726 176.117 -0.146 0.000 1.054 309 I CA 1.844 63.122 61.300 -0.036 0.000 1.311 309 I CB -0.456 37.558 38.000 0.023 0.000 1.024 309 I HN 0.351 nan 8.210 nan 0.000 0.402 310 E N 0.516 120.614 120.200 -0.170 0.000 2.049 310 E HA -0.314 4.008 4.350 -0.046 0.000 0.198 310 E C 2.346 178.456 176.600 -0.816 0.000 1.007 310 E CA 1.662 57.826 56.400 -0.394 0.000 0.809 310 E CB -0.728 28.871 29.700 -0.169 0.000 0.749 310 E HN 0.586 nan 8.360 nan 0.000 0.450 311 A N 1.697 124.120 122.820 -0.662 0.000 1.927 311 A HA -0.222 4.070 4.320 -0.046 0.000 0.220 311 A C 2.422 179.616 177.584 -0.650 0.000 1.185 311 A CA 1.536 53.024 52.037 -0.915 0.000 0.639 311 A CB -0.858 17.022 19.000 -1.867 0.000 0.820 311 A HN 0.177 nan 8.150 nan 0.000 0.451 312 L N -0.984 120.015 121.223 -0.374 0.000 1.955 312 L HA -0.245 4.067 4.340 -0.046 0.000 0.213 312 L C 2.649 179.477 176.870 -0.069 0.000 1.072 312 L CA 2.098 56.915 54.840 -0.037 0.000 0.755 312 L CB -0.637 41.438 42.059 0.026 0.000 0.888 312 L HN 0.402 nan 8.230 nan 0.000 0.432 313 K N -0.552 119.767 120.400 -0.135 0.000 2.127 313 K HA -0.284 4.008 4.320 -0.046 0.000 0.212 313 K C 1.861 178.498 176.600 0.062 0.000 1.050 313 K CA 2.248 58.506 56.287 -0.048 0.000 0.929 313 K CB -0.432 32.026 32.500 -0.070 0.000 0.715 313 K HN 0.569 nan 8.250 nan 0.000 0.457 314 H N -1.668 117.401 119.070 -0.003 0.000 2.428 314 H HA -0.032 4.496 4.556 -0.047 0.000 0.296 314 H C 2.253 177.584 175.328 0.005 0.000 1.062 314 H CA 0.352 56.387 56.048 -0.022 0.000 1.350 314 H CB -0.053 29.674 29.762 -0.059 0.000 1.403 314 H HN 0.351 nan 8.280 nan 0.000 0.533 315 G N 0.379 109.266 108.800 0.146 0.000 2.422 315 G HA2 -0.241 3.691 3.960 -0.046 0.000 0.218 315 G HA3 -0.241 3.691 3.960 -0.046 0.000 0.218 315 G C 1.916 176.858 174.900 0.071 0.000 1.146 315 G CA 0.694 45.881 45.100 0.145 0.000 0.769 315 G HN 0.480 nan 8.290 nan 0.000 0.547 316 G N 0.847 109.679 108.800 0.054 0.000 2.408 316 G HA2 -0.112 3.820 3.960 -0.046 0.000 0.217 316 G HA3 -0.112 3.820 3.960 -0.046 0.000 0.217 316 G C 1.784 176.696 174.900 0.021 0.000 1.150 316 G CA 0.654 45.766 45.100 0.020 0.000 0.776 316 G HN 0.428 nan 8.290 nan 0.000 0.542 317 L N -0.047 121.203 121.223 0.046 0.000 2.017 317 L HA -0.071 4.241 4.340 -0.046 0.000 0.208 317 L C 2.929 179.801 176.870 0.003 0.000 1.073 317 L CA 1.045 55.896 54.840 0.018 0.000 0.745 317 L CB -0.324 41.740 42.059 0.009 0.000 0.894 317 L HN 0.041 nan 8.230 nan 0.000 0.432 318 K N 0.044 120.454 120.400 0.016 0.000 2.097 318 K HA -0.075 4.217 4.320 -0.046 0.000 0.206 318 K C 1.580 178.185 176.600 0.009 0.000 1.049 318 K CA 1.075 57.370 56.287 0.012 0.000 0.933 318 K CB -0.462 32.055 32.500 0.028 0.000 0.717 318 K HN 0.333 nan 8.250 nan 0.000 0.442 319 N N 0.509 119.211 118.700 0.003 0.000 2.280 319 N HA 0.018 4.730 4.740 -0.046 0.000 0.192 319 N C -0.323 175.178 175.510 -0.016 0.000 1.109 319 N CA -0.014 53.031 53.050 -0.009 0.000 0.855 319 N CB 0.446 38.917 38.487 -0.026 0.000 0.974 319 N HN 0.049 nan 8.380 nan 0.000 0.482 320 R N 0.119 120.608 120.500 -0.018 0.000 3.525 320 R HA -0.125 4.188 4.340 -0.046 0.000 0.276 320 R C -0.900 175.377 176.300 -0.038 0.000 1.116 320 R CA 0.277 56.355 56.100 -0.036 0.000 0.745 320 R CB -2.267 28.014 30.300 -0.033 0.000 1.185 320 R HN -0.003 nan 8.270 nan 0.000 0.454 321 V N 0.059 119.954 119.914 -0.032 0.000 2.667 321 V HA 0.363 4.456 4.120 -0.046 0.000 0.308 321 V C 0.610 176.686 176.094 -0.030 0.000 1.048 321 V CA -0.566 61.712 62.300 -0.036 0.000 0.928 321 V CB 2.063 33.858 31.823 -0.047 0.000 1.004 321 V HN 0.222 nan 8.190 nan 0.000 0.444 322 S N 2.622 118.304 115.700 -0.030 0.000 2.422 322 S HA 0.500 4.942 4.470 -0.046 0.000 0.298 322 S C -0.609 173.976 174.600 -0.024 0.000 1.118 322 S CA -0.462 57.724 58.200 -0.022 0.000 1.083 322 S CB 0.784 63.971 63.200 -0.021 0.000 0.971 322 S HN 0.477 nan 8.310 nan 0.000 0.478 323 V N 6.795 126.698 119.914 -0.018 0.000 2.406 323 V HA 0.320 4.412 4.120 -0.046 0.000 0.272 323 V C 0.182 176.266 176.094 -0.017 0.000 1.043 323 V CA -0.746 61.539 62.300 -0.024 0.000 0.915 323 V CB 0.972 32.784 31.823 -0.019 0.000 0.988 323 V HN 0.777 nan 8.190 nan 0.000 0.466 324 N N 5.278 123.964 118.700 -0.023 0.000 2.462 324 N HA 0.432 5.144 4.740 -0.046 0.000 0.242 324 N C -0.536 174.963 175.510 -0.018 0.000 1.010 324 N CA -0.198 52.842 53.050 -0.016 0.000 0.939 324 N CB 1.516 39.994 38.487 -0.015 0.000 1.127 324 N HN 0.541 nan 8.380 nan 0.000 0.509 325 I N 1.898 122.460 120.570 -0.013 0.000 2.325 325 I HA 0.133 4.275 4.170 -0.046 0.000 0.291 325 I C 0.915 177.020 176.117 -0.020 0.000 1.019 325 I CA -0.196 61.095 61.300 -0.016 0.000 1.302 325 I CB 0.840 38.833 38.000 -0.012 0.000 1.401 325 I HN -0.012 nan 8.210 nan 0.000 0.485 326 K N 7.756 128.138 120.400 -0.030 0.000 2.334 326 K HA 0.395 4.687 4.320 -0.046 0.000 0.265 326 K C -0.738 175.834 176.600 -0.047 0.000 1.039 326 K CA -0.618 55.649 56.287 -0.033 0.000 0.920 326 K CB 0.890 33.369 32.500 -0.034 0.000 1.160 326 K HN 0.584 nan 8.250 nan 0.000 0.451 327 L N 6.530 127.731 121.223 -0.036 0.000 2.433 327 L HA 0.249 4.561 4.340 -0.046 0.000 0.275 327 L C 0.144 176.987 176.870 -0.045 0.000 1.128 327 L CA 0.257 55.072 54.840 -0.041 0.000 0.875 327 L CB 0.179 42.235 42.059 -0.004 0.000 1.171 327 L HN 0.455 nan 8.230 nan 0.000 0.463 328 I N 3.013 123.541 120.570 -0.069 0.000 2.533 328 I HA 0.218 4.360 4.170 -0.046 0.000 0.290 328 I C -0.303 175.770 176.117 -0.073 0.000 1.056 328 I CA -0.696 60.562 61.300 -0.069 0.000 1.057 328 I CB 2.675 40.624 38.000 -0.086 0.000 1.240 328 I HN 0.443 nan 8.210 nan 0.000 0.423 329 D N 4.026 124.391 120.400 -0.058 0.000 2.316 329 D HA 0.152 4.764 4.640 -0.046 0.000 0.245 329 D C 0.942 177.194 176.300 -0.081 0.000 1.171 329 D CA 0.055 54.019 54.000 -0.059 0.000 0.856 329 D CB 1.471 42.248 40.800 -0.038 0.000 1.090 329 D HN 0.513 nan 8.370 nan 0.000 0.476 330 S N 3.447 119.088 115.700 -0.099 0.000 2.392 330 S HA -0.263 4.179 4.470 -0.046 0.000 0.232 330 S C 1.783 176.318 174.600 -0.107 0.000 1.041 330 S CA 1.121 59.255 58.200 -0.110 0.000 1.026 330 S CB -0.068 63.054 63.200 -0.130 0.000 0.845 330 S HN 0.640 nan 8.310 nan 0.000 0.465 331 Q N 0.704 120.443 119.800 -0.102 0.000 2.077 331 Q HA -0.206 4.106 4.340 -0.046 0.000 0.206 331 Q C 1.543 177.496 176.000 -0.079 0.000 0.989 331 Q CA 1.679 57.425 55.803 -0.095 0.000 0.853 331 Q CB -0.438 28.252 28.738 -0.081 0.000 0.907 331 Q HN 0.520 nan 8.270 nan 0.000 0.418 332 D N -0.307 120.051 120.400 -0.069 0.000 2.311 332 D HA -0.119 4.493 4.640 -0.046 0.000 0.212 332 D C 1.787 178.044 176.300 -0.071 0.000 0.972 332 D CA 0.634 54.597 54.000 -0.062 0.000 0.887 332 D CB -0.090 40.677 40.800 -0.054 0.000 0.915 332 D HN 0.091 nan 8.370 nan 0.000 0.497 333 V N 0.815 120.678 119.914 -0.084 0.000 2.323 333 V HA -0.194 3.899 4.120 -0.046 0.000 0.244 333 V C 2.220 178.269 176.094 -0.076 0.000 1.041 333 V CA 1.471 63.716 62.300 -0.092 0.000 1.025 333 V CB -0.465 31.297 31.823 -0.102 0.000 0.656 333 V HN 0.161 nan 8.190 nan 0.000 0.451 334 E N 0.203 120.356 120.200 -0.078 0.000 2.023 334 E HA -0.189 4.133 4.350 -0.046 0.000 0.196 334 E C 2.147 178.713 176.600 -0.056 0.000 1.003 334 E CA 1.974 58.331 56.400 -0.070 0.000 0.809 334 E CB -0.454 29.192 29.700 -0.090 0.000 0.755 334 E HN 0.564 nan 8.360 nan 0.000 0.449 335 T N 1.037 115.557 114.554 -0.056 0.000 2.453 335 T HA -0.162 4.160 4.350 -0.046 0.000 0.243 335 T C 1.747 176.423 174.700 -0.039 0.000 1.254 335 T CA 1.406 63.480 62.100 -0.044 0.000 1.327 335 T CB -0.345 68.498 68.868 -0.042 0.000 0.885 335 T HN 0.138 nan 8.240 nan 0.000 0.391 336 R N 1.186 121.661 120.500 -0.042 0.000 2.200 336 R HA 0.190 4.502 4.340 -0.046 0.000 0.234 336 R C 1.352 177.627 176.300 -0.041 0.000 1.127 336 R CA 0.587 56.664 56.100 -0.038 0.000 0.989 336 R CB -0.652 29.624 30.300 -0.039 0.000 0.869 336 R HN 0.637 nan 8.270 nan 0.000 0.459 337 G N -0.664 108.106 108.800 -0.050 0.000 2.661 337 G HA2 -0.228 3.704 3.960 -0.046 0.000 0.685 337 G HA3 -0.228 3.704 3.960 -0.046 0.000 0.685 337 G C 0.323 175.177 174.900 -0.077 0.000 1.298 337 G CA -0.521 44.549 45.100 -0.049 0.000 0.855 337 G HN -0.008 nan 8.290 nan 0.000 0.560 338 V N -0.110 119.760 119.914 -0.072 0.000 3.284 338 V HA -0.081 4.011 4.120 -0.046 0.000 0.273 338 V C 2.493 178.488 176.094 -0.166 0.000 1.178 338 V CA 2.659 64.871 62.300 -0.147 0.000 1.177 338 V CB -1.456 30.367 31.823 -0.001 0.000 0.793 338 V HN 0.948 nan 8.190 nan 0.000 0.536 339 E N 1.558 121.709 120.200 -0.082 0.000 2.077 339 E HA -0.227 4.095 4.350 -0.046 0.000 0.193 339 E C 2.047 178.594 176.600 -0.088 0.000 0.989 339 E CA 1.897 58.268 56.400 -0.049 0.000 0.800 339 E CB -0.501 29.184 29.700 -0.026 0.000 0.746 339 E HN 0.590 nan 8.360 nan 0.000 0.452 340 I N 1.554 122.051 120.570 -0.123 0.000 2.335 340 I HA -0.249 3.893 4.170 -0.046 0.000 0.251 340 I C 2.329 178.340 176.117 -0.177 0.000 1.129 340 I CA 1.007 62.232 61.300 -0.125 0.000 1.402 340 I CB -0.454 37.475 38.000 -0.117 0.000 1.069 340 I HN 0.169 nan 8.210 nan 0.000 0.424 341 L N 1.093 122.111 121.223 -0.342 0.000 2.622 341 L HA -0.043 4.269 4.340 -0.046 0.000 0.233 341 L C 1.463 178.202 176.870 -0.219 0.000 1.156 341 L CA 0.099 54.644 54.840 -0.493 0.000 0.866 341 L CB -1.483 39.756 42.059 -1.366 0.000 0.980 341 L HN 0.202 nan 8.230 nan 0.000 0.448 342 K N 1.506 121.855 120.400 -0.084 0.000 2.412 342 K HA 0.415 4.707 4.320 -0.046 0.000 0.284 342 K C 1.054 177.696 176.600 0.070 0.000 1.046 342 K CA 0.415 56.746 56.287 0.075 0.000 0.999 342 K CB -0.407 nan 32.500 nan 0.000 0.941 342 K HN 0.450 nan 8.250 nan 0.000 0.474 343 G N 1.180 110.061 108.800 0.134 0.000 2.623 343 G HA2 -0.061 3.872 3.960 -0.046 0.000 0.281 343 G HA3 -0.061 3.872 3.960 -0.046 0.000 0.281 343 G C -0.440 174.515 174.900 0.092 0.000 1.087 343 G CA 0.043 45.214 45.100 0.118 0.000 1.244 343 G HN 1.009 nan 8.290 nan 0.000 0.544 344 L N 0.451 121.745 121.223 0.119 0.000 2.493 344 L HA 0.426 4.738 4.340 -0.046 0.000 0.265 344 L C 0.045 176.881 176.870 -0.057 0.000 0.954 344 L CA -1.114 53.744 54.840 0.031 0.000 0.844 344 L CB 1.849 43.908 42.059 -0.001 0.000 1.302 344 L HN 0.167 nan 8.230 nan 0.000 0.405 345 D N 2.176 122.521 120.400 -0.092 0.000 2.340 345 D HA 0.320 4.932 4.640 -0.046 0.000 0.220 345 D C 0.378 176.346 176.300 -0.554 0.000 1.039 345 D CA 0.503 54.355 54.000 -0.246 0.000 0.866 345 D CB 1.080 41.924 40.800 0.072 0.000 0.913 345 D HN 0.549 nan 8.370 nan 0.000 0.523 346 A N 0.092 122.683 122.820 -0.381 0.000 2.550 346 A HA 0.489 4.781 4.320 -0.046 0.000 0.295 346 A C -1.973 175.604 177.584 -0.012 0.000 1.001 346 A CA -0.732 51.147 52.037 -0.264 0.000 0.660 346 A CB 0.501 19.159 19.000 -0.570 0.000 1.308 346 A HN -0.014 nan 8.150 nan 0.000 0.426 347 I N 0.795 121.463 120.570 0.164 0.000 2.466 347 I HA 0.607 4.749 4.170 -0.046 0.000 0.289 347 I C -0.561 175.491 176.117 -0.109 0.000 1.026 347 I CA -0.222 61.135 61.300 0.095 0.000 1.078 347 I CB 1.864 39.962 38.000 0.162 0.000 1.249 347 I HN 0.640 nan 8.210 nan 0.000 0.429 348 L N 6.985 128.106 121.223 -0.171 0.000 2.325 348 L HA 0.698 5.010 4.340 -0.046 0.000 0.281 348 L C -1.302 175.341 176.870 -0.378 0.000 1.004 348 L CA -0.615 53.975 54.840 -0.417 0.000 0.823 348 L CB 1.374 43.230 42.059 -0.339 0.000 1.236 348 L HN 0.328 nan 8.230 nan 0.000 0.415 349 V N 7.468 127.090 119.914 -0.486 0.000 2.334 349 V HA 0.452 4.544 4.120 -0.046 0.000 0.281 349 V C -1.996 173.922 176.094 -0.293 0.000 1.016 349 V CA -1.461 60.655 62.300 -0.308 0.000 0.832 349 V CB 1.420 33.148 31.823 -0.159 0.000 0.999 349 V HN 0.658 nan 8.190 nan 0.000 0.439 350 P HA 0.317 nan 4.420 nan 0.000 0.278 350 P C 0.375 177.646 177.300 -0.048 0.000 1.266 350 P CA -0.033 62.972 63.100 -0.158 0.000 0.807 350 P CB 0.944 32.503 31.700 -0.236 0.000 1.094 351 G N -1.138 107.693 108.800 0.051 0.000 2.525 351 G HA2 0.534 4.466 3.960 -0.046 0.000 0.276 351 G HA3 0.534 4.466 3.960 -0.046 0.000 0.276 351 G C 0.001 174.921 174.900 0.034 0.000 1.388 351 G CA -0.086 45.021 45.100 0.011 0.000 1.050 351 G HN 0.820 nan 8.290 nan 0.000 0.520 352 G N -2.870 105.816 108.800 -0.191 0.000 2.359 352 G HA2 0.462 4.394 3.960 -0.046 0.000 0.293 352 G HA3 0.462 4.394 3.960 -0.046 0.000 0.293 352 G C -1.737 172.838 174.900 -0.543 0.000 1.300 352 G CA -0.932 44.088 45.100 -0.133 0.000 0.888 352 G HN 0.755 nan 8.290 nan 0.000 0.541 353 F N -0.013 120.149 119.950 0.353 0.000 2.581 353 F HA 0.747 5.246 4.527 -0.047 0.000 0.311 353 F C 0.542 176.512 175.800 0.285 0.000 1.113 353 F CA 0.235 58.423 58.000 0.313 0.000 0.935 353 F CB 2.579 41.752 39.000 0.288 0.000 1.232 353 F HN 1.766 nan 8.300 nan 0.000 0.445 354 G N 1.429 110.511 108.800 0.470 0.000 3.014 354 G HA2 -0.128 3.804 3.960 -0.046 0.000 0.683 354 G HA3 -0.128 3.804 3.960 -0.046 0.000 0.683 354 G C -0.708 174.355 174.900 0.271 0.000 1.271 354 G CA -1.008 44.309 45.100 0.361 0.000 0.843 354 G HN 0.682 nan 8.290 nan 0.000 0.612 355 Y N 3.437 123.808 120.300 0.118 0.000 2.193 355 Y HA -0.240 4.282 4.550 -0.047 0.000 0.285 355 Y C 2.957 178.733 175.900 -0.206 0.000 1.166 355 Y CA 2.521 60.517 58.100 -0.174 0.000 1.181 355 Y CB -0.085 38.379 38.460 0.006 0.000 0.976 355 Y HN 0.798 nan 8.280 nan 0.000 0.520 356 R N -0.772 119.690 120.500 -0.064 0.000 2.442 356 R HA -0.278 4.034 4.340 -0.046 0.000 0.192 356 R C 1.808 177.924 176.300 -0.307 0.000 0.989 356 R CA 1.804 57.817 56.100 -0.145 0.000 0.362 356 R CB -2.051 28.215 30.300 -0.056 0.000 0.682 356 R HN 0.436 nan 8.270 nan 0.000 0.252 357 G N -0.090 108.542 108.800 -0.279 0.000 4.098 357 G HA2 0.399 4.331 3.960 -0.046 0.000 0.300 357 G HA3 0.399 4.331 3.960 -0.046 0.000 0.300 357 G C 1.070 175.777 174.900 -0.322 0.000 1.187 357 G CA -0.056 44.870 45.100 -0.289 0.000 0.964 357 G HN 0.174 nan 8.290 nan 0.000 0.559 358 V N 0.353 119.987 119.914 -0.466 0.000 2.324 358 V HA -0.187 3.906 4.120 -0.046 0.000 0.250 358 V C 2.691 178.626 176.094 -0.266 0.000 1.060 358 V CA 1.916 63.972 62.300 -0.407 0.000 1.042 358 V CB -0.075 31.369 31.823 -0.631 0.000 0.650 358 V HN 0.381 nan 8.190 nan 0.000 0.450 359 E N 0.480 120.491 120.200 -0.314 0.000 2.077 359 E HA -0.166 4.156 4.350 -0.046 0.000 0.193 359 E C 2.387 178.921 176.600 -0.109 0.000 0.989 359 E CA 1.457 57.761 56.400 -0.161 0.000 0.800 359 E CB -0.742 28.863 29.700 -0.158 0.000 0.746 359 E HN 0.631 nan 8.360 nan 0.000 0.452 360 G N 1.402 110.118 108.800 -0.140 0.000 2.440 360 G HA2 -0.281 3.651 3.960 -0.046 0.000 0.218 360 G HA3 -0.281 3.651 3.960 -0.046 0.000 0.218 360 G C 1.700 176.555 174.900 -0.076 0.000 1.154 360 G CA 1.293 46.330 45.100 -0.105 0.000 0.767 360 G HN 0.177 nan 8.290 nan 0.000 0.552 361 M N -0.173 119.375 119.600 -0.086 0.000 2.086 361 M HA 0.017 4.469 4.480 -0.046 0.000 0.261 361 M C 2.563 178.871 176.300 0.013 0.000 1.067 361 M CA 1.180 56.455 55.300 -0.042 0.000 1.116 361 M CB -0.515 32.047 32.600 -0.063 0.000 1.348 361 M HN 0.161 nan 8.290 nan 0.000 0.407 362 I N 0.530 121.105 120.570 0.009 0.000 2.151 362 I HA -0.284 3.858 4.170 -0.046 0.000 0.243 362 I C 2.472 178.632 176.117 0.071 0.000 1.080 362 I CA 1.692 63.028 61.300 0.060 0.000 1.339 362 I CB -0.870 37.179 38.000 0.081 0.000 1.039 362 I HN 0.339 nan 8.210 nan 0.000 0.409 363 T N -0.446 114.130 114.554 0.036 0.000 2.684 363 T HA -0.208 4.114 4.350 -0.046 0.000 0.267 363 T C 1.909 176.651 174.700 0.070 0.000 1.036 363 T CA 2.120 64.235 62.100 0.025 0.000 1.148 363 T CB -0.769 68.092 68.868 -0.012 0.000 0.863 363 T HN 0.383 nan 8.240 nan 0.000 0.436 364 T N 2.206 116.791 114.554 0.052 0.000 2.684 364 T HA -0.078 4.244 4.350 -0.046 0.000 0.267 364 T C 2.465 177.291 174.700 0.209 0.000 1.036 364 T CA 1.285 63.440 62.100 0.091 0.000 1.148 364 T CB -0.730 68.171 68.868 0.054 0.000 0.863 364 T HN 0.487 nan 8.240 nan 0.000 0.436 365 A N 1.664 124.575 122.820 0.151 0.000 1.883 365 A HA -0.163 4.129 4.320 -0.046 0.000 0.217 365 A C 2.305 179.914 177.584 0.042 0.000 1.186 365 A CA 1.981 54.025 52.037 0.012 0.000 0.624 365 A CB -0.689 18.308 19.000 -0.004 0.000 0.822 365 A HN 0.429 nan 8.150 nan 0.000 0.444 366 R N -1.635 118.914 120.500 0.083 0.000 2.088 366 R HA -0.194 4.118 4.340 -0.046 0.000 0.232 366 R C 1.994 178.354 176.300 0.100 0.000 1.136 366 R CA 2.047 58.178 56.100 0.051 0.000 0.926 366 R CB -0.678 29.616 30.300 -0.010 0.000 0.837 366 R HN 0.475 nan 8.270 nan 0.000 0.429 367 F N 0.955 120.907 119.950 0.003 0.000 2.039 367 F HA -0.402 4.098 4.527 -0.046 0.000 0.296 367 F C 2.219 178.081 175.800 0.103 0.000 1.119 367 F CA 2.407 60.429 58.000 0.037 0.000 1.211 367 F CB -0.819 38.205 39.000 0.040 0.000 0.956 367 F HN 0.251 nan 8.300 nan 0.000 0.496 368 A N 0.298 123.365 122.820 0.410 0.000 1.873 368 A HA -0.306 3.987 4.320 -0.046 0.000 0.218 368 A C 2.368 180.188 177.584 0.393 0.000 1.193 368 A CA 2.267 54.544 52.037 0.400 0.000 0.629 368 A CB -1.096 18.215 19.000 0.517 0.000 0.826 368 A HN 0.596 nan 8.150 nan 0.000 0.447 369 R N -0.356 120.284 120.500 0.233 0.000 2.073 369 R HA -0.173 4.139 4.340 -0.046 0.000 0.234 369 R C 2.096 178.448 176.300 0.086 0.000 1.134 369 R CA 1.902 57.985 56.100 -0.029 0.000 0.952 369 R CB -0.363 29.657 30.300 -0.467 0.000 0.850 369 R HN 0.675 nan 8.270 nan 0.000 0.433 370 E N 0.169 120.364 120.200 -0.009 0.000 2.051 370 E HA -0.155 4.167 4.350 -0.046 0.000 0.192 370 E C 1.197 177.752 176.600 -0.075 0.000 0.991 370 E CA 1.703 58.068 56.400 -0.058 0.000 0.799 370 E CB -0.009 29.631 29.700 -0.101 0.000 0.748 370 E HN 0.489 nan 8.360 nan 0.000 0.449 371 N N 0.842 119.444 118.700 -0.164 0.000 2.434 371 N HA 0.040 4.753 4.740 -0.046 0.000 0.196 371 N C -0.747 174.745 175.510 -0.029 0.000 1.183 371 N CA 0.105 53.035 53.050 -0.200 0.000 0.849 371 N CB 0.049 38.207 38.487 -0.549 0.000 0.992 371 N HN 0.150 nan 8.380 nan 0.000 0.460 372 N N 0.244 118.971 118.700 0.046 0.000 2.740 372 N HA -0.182 4.530 4.740 -0.046 0.000 0.248 372 N C -1.130 174.341 175.510 -0.064 0.000 1.062 372 N CA 0.251 53.211 53.050 -0.149 0.000 0.704 372 N CB -0.933 37.474 38.487 -0.134 0.000 0.968 372 N HN 0.367 nan 8.380 nan 0.000 0.547 373 I N 1.117 121.822 120.570 0.225 0.000 2.321 373 I HA 0.274 4.417 4.170 -0.046 0.000 0.291 373 I C -1.983 174.393 176.117 0.432 0.000 0.998 373 I CA -2.050 59.309 61.300 0.100 0.000 1.227 373 I CB 1.241 39.261 38.000 0.033 0.000 1.368 373 I HN -0.179 nan 8.210 nan 0.000 0.466 374 P HA -0.159 nan 4.420 nan 0.000 0.261 374 P C -1.339 176.303 177.300 0.570 0.000 1.158 374 P CA 0.679 64.060 63.100 0.469 0.000 0.758 374 P CB 0.067 31.785 31.700 0.030 0.000 0.763 375 Y N 4.274 124.848 120.300 0.456 0.000 2.421 375 Y HA 0.582 5.105 4.550 -0.046 0.000 0.339 375 Y C -1.577 174.231 175.900 -0.154 0.000 0.996 375 Y CA -1.365 56.746 58.100 0.019 0.000 1.046 375 Y CB 1.651 39.718 38.460 -0.654 0.000 1.226 375 Y HN 0.248 nan 8.280 nan 0.000 0.445 376 L N 5.831 126.436 121.223 -1.031 0.000 2.404 376 L HA 0.861 5.173 4.340 -0.046 0.000 0.272 376 L C -0.901 175.234 176.870 -1.225 0.000 0.980 376 L CA -0.280 53.922 54.840 -1.065 0.000 0.836 376 L CB 1.705 42.884 42.059 -1.465 0.000 1.238 376 L HN 0.770 nan 8.230 nan 0.000 0.408 377 G N 5.663 113.961 108.800 -0.837 0.000 2.557 377 G HA2 0.653 4.585 3.960 -0.046 0.000 0.310 377 G HA3 0.653 4.585 3.960 -0.046 0.000 0.310 377 G C -1.242 173.427 174.900 -0.385 0.000 1.328 377 G CA -0.343 44.441 45.100 -0.527 0.000 0.945 377 G HN 0.518 nan 8.290 nan 0.000 0.494 378 I N 1.853 122.201 120.570 -0.369 0.000 2.404 378 I HA 0.372 4.514 4.170 -0.046 0.000 0.293 378 I C 1.109 177.017 176.117 -0.349 0.000 0.992 378 I CA -0.096 60.967 61.300 -0.395 0.000 1.149 378 I CB 1.427 39.191 38.000 -0.393 0.000 1.315 378 I HN 0.806 nan 8.210 nan 0.000 0.446 379 C N 3.905 122.962 119.300 -0.405 0.000 0.178 379 C HA -0.328 4.105 4.460 -0.046 0.000 0.017 379 C C 2.162 177.048 174.990 -0.172 0.000 0.173 379 C CA 1.323 60.158 59.018 -0.304 0.000 0.499 379 C CB -1.670 25.916 27.740 -0.257 0.000 3.212 379 C HN 0.927 nan 8.230 nan 0.000 1.118 380 L N 2.284 123.433 121.223 -0.123 0.000 2.085 380 L HA -0.021 4.291 4.340 -0.046 0.000 0.218 380 L C 2.380 179.226 176.870 -0.039 0.000 1.080 380 L CA 3.599 58.409 54.840 -0.051 0.000 0.776 380 L CB -1.542 40.474 42.059 -0.070 0.000 0.891 380 L HN 0.937 nan 8.230 nan 0.000 0.437 381 G N -1.048 107.699 108.800 -0.089 0.000 2.475 381 G HA2 -0.368 3.564 3.960 -0.046 0.000 0.220 381 G HA3 -0.368 3.564 3.960 -0.046 0.000 0.220 381 G C 1.608 176.506 174.900 -0.003 0.000 1.125 381 G CA 1.154 46.216 45.100 -0.064 0.000 0.755 381 G HN 0.532 nan 8.290 nan 0.000 0.565 382 M N -0.089 119.466 119.600 -0.074 0.000 2.134 382 M HA -0.043 4.409 4.480 -0.046 0.000 0.262 382 M C 2.740 179.041 176.300 0.002 0.000 1.076 382 M CA 1.460 56.727 55.300 -0.055 0.000 1.143 382 M CB -0.269 32.244 32.600 -0.145 0.000 1.346 382 M HN 0.332 nan 8.290 nan 0.000 0.421 383 Q N -0.001 119.803 119.800 0.007 0.000 1.967 383 Q HA -0.228 4.084 4.340 -0.046 0.000 0.210 383 Q C 1.983 178.030 176.000 0.079 0.000 1.005 383 Q CA 2.267 58.104 55.803 0.056 0.000 0.862 383 Q CB -1.023 27.777 28.738 0.103 0.000 0.939 383 Q HN 0.415 nan 8.270 nan 0.000 0.417 384 V N 1.386 121.354 119.914 0.089 0.000 2.311 384 V HA -0.401 3.691 4.120 -0.046 0.000 0.259 384 V C 2.341 178.487 176.094 0.087 0.000 1.086 384 V CA 2.171 64.525 62.300 0.089 0.000 1.078 384 V CB -1.154 30.716 31.823 0.078 0.000 0.668 384 V HN 0.552 nan 8.190 nan 0.000 0.452 385 A N -0.973 121.899 122.820 0.087 0.000 1.855 385 A HA -0.168 4.124 4.320 -0.046 0.000 0.215 385 A C 2.116 179.745 177.584 0.076 0.000 1.191 385 A CA 2.017 54.105 52.037 0.085 0.000 0.613 385 A CB -0.591 18.484 19.000 0.125 0.000 0.829 385 A HN 0.432 nan 8.150 nan 0.000 0.442 386 L N 0.349 121.601 121.223 0.049 0.000 1.971 386 L HA -0.208 4.104 4.340 -0.046 0.000 0.215 386 L C 2.349 179.250 176.870 0.051 0.000 1.072 386 L CA 1.945 56.803 54.840 0.031 0.000 0.758 386 L CB -0.642 41.424 42.059 0.012 0.000 0.889 386 L HN 0.486 nan 8.230 nan 0.000 0.433 387 I N -0.372 120.228 120.570 0.049 0.000 2.074 387 I HA -0.434 3.709 4.170 -0.046 0.000 0.238 387 I C 2.334 178.446 176.117 -0.009 0.000 1.037 387 I CA 2.011 63.328 61.300 0.028 0.000 1.301 387 I CB -0.740 37.303 38.000 0.071 0.000 1.016 387 I HN 0.474 nan 8.210 nan 0.000 0.400 388 D N 0.256 120.688 120.400 0.053 0.000 2.230 388 D HA -0.334 4.278 4.640 -0.046 0.000 0.189 388 D C 2.151 178.473 176.300 0.037 0.000 1.006 388 D CA 2.131 56.197 54.000 0.111 0.000 0.853 388 D CB -0.577 40.309 40.800 0.144 0.000 0.959 388 D HN 0.394 nan 8.370 nan 0.000 0.449 389 Y N 0.737 120.987 120.300 -0.083 0.000 2.030 389 Y HA -0.236 4.286 4.550 -0.046 0.000 0.274 389 Y C 2.528 178.335 175.900 -0.155 0.000 1.153 389 Y CA 2.601 60.627 58.100 -0.124 0.000 1.115 389 Y CB -1.044 37.331 38.460 -0.142 0.000 0.969 389 Y HN 0.132 nan 8.280 nan 0.000 0.488 390 A N 0.845 123.681 122.820 0.027 0.000 1.882 390 A HA -0.340 3.952 4.320 -0.046 0.000 0.220 390 A C 2.268 179.686 177.584 -0.276 0.000 1.253 390 A CA 2.639 54.607 52.037 -0.114 0.000 0.664 390 A CB -0.997 17.928 19.000 -0.124 0.000 0.838 390 A HN 0.564 nan 8.150 nan 0.000 0.460 391 R N -1.370 118.918 120.500 -0.354 0.000 2.234 391 R HA -0.141 4.171 4.340 -0.046 0.000 0.209 391 R C 1.910 177.941 176.300 -0.449 0.000 1.077 391 R CA 1.671 57.467 56.100 -0.507 0.000 0.866 391 R CB -1.226 28.534 30.300 -0.900 0.000 0.764 391 R HN 0.788 nan 8.270 nan 0.000 0.459 392 H N -0.260 118.715 119.070 -0.158 0.000 2.536 392 H HA -0.130 4.398 4.556 -0.047 0.000 0.295 392 H C 1.585 176.754 175.328 -0.265 0.000 1.103 392 H CA 1.157 57.098 56.048 -0.177 0.000 1.194 392 H CB -0.128 29.552 29.762 -0.137 0.000 1.348 392 H HN 0.075 nan 8.280 nan 0.000 0.563 393 V N -1.249 118.467 119.914 -0.330 0.000 3.278 393 V HA 0.192 4.284 4.120 -0.046 0.000 0.215 393 V C 2.086 177.973 176.094 -0.344 0.000 1.287 393 V CA 0.514 62.541 62.300 -0.456 0.000 1.302 393 V CB -0.470 30.776 31.823 -0.962 0.000 1.228 393 V HN 0.354 nan 8.190 nan 0.000 0.523 394 A N 0.165 122.789 122.820 -0.326 0.000 2.248 394 A HA -0.033 4.259 4.320 -0.046 0.000 0.210 394 A C 0.903 178.361 177.584 -0.211 0.000 1.174 394 A CA 1.008 52.923 52.037 -0.204 0.000 0.750 394 A CB -1.288 17.633 19.000 -0.132 0.000 0.780 394 A HN 0.809 nan 8.150 nan 0.000 0.478 395 N N -1.706 116.856 118.700 -0.231 0.000 2.725 395 N HA -0.166 4.546 4.740 -0.046 0.000 0.249 395 N C -0.221 175.116 175.510 -0.289 0.000 1.103 395 N CA 0.805 53.733 53.050 -0.204 0.000 0.707 395 N CB -1.216 37.195 38.487 -0.127 0.000 1.043 395 N HN 0.591 nan 8.380 nan 0.000 0.553 396 M N 1.476 120.810 119.600 -0.443 0.000 3.596 396 M HA 0.048 4.500 4.480 -0.046 0.000 0.219 396 M C -0.129 175.746 176.300 -0.709 0.000 1.471 396 M CA 0.174 54.938 55.300 -0.892 0.000 1.644 396 M CB -0.567 31.460 32.600 -0.955 0.000 1.083 396 M HN 0.091 nan 8.290 nan 0.000 0.579 397 E N 0.505 120.489 120.200 -0.360 0.000 3.417 397 E HA -0.202 4.120 4.350 -0.046 0.000 0.279 397 E C 0.141 176.733 176.600 -0.012 0.000 0.851 397 E CA 0.290 56.630 56.400 -0.100 0.000 0.980 397 E CB -0.384 29.351 29.700 0.059 0.000 0.934 397 E HN 0.498 nan 8.360 nan 0.000 0.541 398 N N 0.045 118.732 118.700 -0.022 0.000 2.696 398 N HA -0.276 4.436 4.740 -0.046 0.000 0.249 398 N C -0.381 175.163 175.510 0.057 0.000 1.090 398 N CA 1.039 54.109 53.050 0.033 0.000 0.716 398 N CB -1.319 37.217 38.487 0.082 0.000 1.020 398 N HN 0.760 nan 8.380 nan 0.000 0.548 399 A N -0.374 122.425 122.820 -0.034 0.000 2.577 399 A HA 0.369 4.661 4.320 -0.046 0.000 0.233 399 A C 0.992 178.612 177.584 0.060 0.000 1.076 399 A CA 0.703 52.740 52.037 0.001 0.000 0.767 399 A CB 0.316 19.237 19.000 -0.132 0.000 1.017 399 A HN 0.526 nan 8.150 nan 0.000 0.511 400 N N -1.803 116.953 118.700 0.093 0.000 3.405 400 N HA 0.251 4.963 4.740 -0.046 0.000 0.292 400 N C -1.548 174.018 175.510 0.094 0.000 1.456 400 N CA 0.265 53.385 53.050 0.116 0.000 0.861 400 N CB 1.191 39.755 38.487 0.129 0.000 1.643 400 N HN 0.924 nan 8.380 nan 0.000 0.474 401 S N -0.629 115.118 115.700 0.078 0.000 2.473 401 S HA 0.344 4.786 4.470 -0.046 0.000 0.307 401 S C 1.025 175.490 174.600 -0.225 0.000 1.094 401 S CA 0.220 58.375 58.200 -0.075 0.000 1.070 401 S CB 0.697 63.769 63.200 -0.214 0.000 1.019 401 S HN 0.559 nan 8.310 nan 0.000 0.480 402 T N 0.444 114.924 114.554 -0.123 0.000 3.139 402 T HA 0.002 4.324 4.350 -0.046 0.000 0.267 402 T C 1.062 175.580 174.700 -0.304 0.000 1.164 402 T CA 1.086 63.129 62.100 -0.094 0.000 1.075 402 T CB -0.377 68.552 68.868 0.102 0.000 0.904 402 T HN 0.777 nan 8.240 nan 0.000 0.540 403 E N -0.258 119.419 120.200 -0.872 0.000 2.299 403 E HA 0.025 4.347 4.350 -0.046 0.000 0.193 403 E C 0.473 176.481 176.600 -0.987 0.000 0.998 403 E CA 0.677 56.294 56.400 -1.305 0.000 0.851 403 E CB 0.087 28.458 29.700 -2.216 0.000 0.795 403 E HN 0.747 nan 8.360 nan 0.000 0.492 404 F N -1.241 118.497 119.950 -0.353 0.000 2.778 404 F HA 0.234 4.733 4.527 -0.047 0.000 0.314 404 F C 0.240 175.718 175.800 -0.536 0.000 1.073 404 F CA -0.296 57.339 58.000 -0.608 0.000 1.218 404 F CB 1.182 39.493 39.000 -1.149 0.000 1.037 404 F HN -0.264 nan 8.300 nan 0.000 0.594 405 V N 2.425 122.228 119.914 -0.185 0.000 2.722 405 V HA 0.206 4.298 4.120 -0.046 0.000 0.260 405 V C -1.906 174.157 176.094 -0.052 0.000 0.941 405 V CA -1.029 61.212 62.300 -0.099 0.000 0.888 405 V CB 1.693 33.485 31.823 -0.052 0.000 1.059 405 V HN -0.183 nan 8.190 nan 0.000 0.486 406 P HA -0.118 nan 4.420 nan 0.000 0.219 406 P C 0.768 178.072 177.300 0.005 0.000 1.146 406 P CA 1.306 64.400 63.100 -0.010 0.000 0.808 406 P CB 0.203 31.902 31.700 -0.002 0.000 0.779 407 D N -2.156 118.246 120.400 0.003 0.000 2.342 407 D HA 0.007 4.619 4.640 -0.046 0.000 0.221 407 D C 1.363 177.666 176.300 0.006 0.000 1.101 407 D CA -0.470 53.532 54.000 0.004 0.000 0.837 407 D CB -1.387 39.415 40.800 0.004 0.000 0.938 407 D HN 0.016 nan 8.370 nan 0.000 0.508 408 C N 1.765 121.076 119.300 0.017 0.000 2.283 408 C HA -0.398 4.034 4.460 -0.046 0.000 0.248 408 C C 2.193 177.199 174.990 0.028 0.000 1.052 408 C CA 3.244 62.286 59.018 0.041 0.000 1.852 408 C CB -0.925 26.849 27.740 0.056 0.000 1.991 408 C HN 0.878 nan 8.230 nan 0.000 0.408 409 K N -4.606 115.772 120.400 -0.036 0.000 3.263 409 K HA -0.258 4.034 4.320 -0.046 0.000 0.334 409 K C 0.013 176.417 176.600 -0.326 0.000 0.718 409 K CA 2.022 58.207 56.287 -0.170 0.000 1.468 409 K CB -1.665 30.721 32.500 -0.191 0.000 1.215 409 K HN 0.500 nan 8.250 nan 0.000 0.478 410 Y N 1.061 121.360 120.300 -0.003 0.000 2.562 410 Y HA 0.396 4.918 4.550 -0.047 0.000 0.363 410 Y C -2.465 173.432 175.900 -0.005 0.000 0.991 410 Y CA -2.155 55.938 58.100 -0.011 0.000 1.121 410 Y CB 1.624 40.073 38.460 -0.018 0.000 1.159 410 Y HN 0.008 nan 8.280 nan 0.000 0.651 411 P HA 0.060 nan 4.420 nan 0.000 0.212 411 P C 1.182 178.526 177.300 0.072 0.000 1.816 411 P CA 0.320 63.475 63.100 0.093 0.000 0.944 411 P CB 0.705 32.456 31.700 0.084 0.000 1.896 412 V N 1.138 121.096 119.914 0.074 0.000 2.794 412 V HA -0.120 3.972 4.120 -0.046 0.000 0.260 412 V C 0.779 176.874 176.094 0.002 0.000 1.103 412 V CA 1.452 63.761 62.300 0.015 0.000 1.125 412 V CB 0.086 31.918 31.823 0.016 0.000 0.702 412 V HN 0.072 nan 8.190 nan 0.000 0.494 413 V N -0.476 119.477 119.914 0.065 0.000 2.569 413 V HA 0.885 4.978 4.120 -0.046 0.000 0.301 413 V C -0.273 175.952 176.094 0.217 0.000 1.044 413 V CA 0.139 62.515 62.300 0.127 0.000 0.874 413 V CB 1.249 33.138 31.823 0.111 0.000 1.002 413 V HN 0.359 nan 8.190 nan 0.000 0.424 414 A N 4.146 127.195 122.820 0.381 0.000 2.522 414 A HA 0.695 4.987 4.320 -0.046 0.000 0.291 414 A C -1.157 176.666 177.584 0.398 0.000 1.039 414 A CA -0.805 51.513 52.037 0.469 0.000 0.643 414 A CB 0.701 19.912 19.000 0.352 0.000 1.310 414 A HN 0.683 nan 8.150 nan 0.000 0.436 415 L N 1.267 122.535 121.223 0.075 0.000 2.483 415 L HA 0.060 4.372 4.340 -0.046 0.000 0.277 415 L C 1.537 178.187 176.870 -0.366 0.000 1.248 415 L CA 0.118 54.836 54.840 -0.205 0.000 0.825 415 L CB -0.107 41.771 42.059 -0.301 0.000 1.096 415 L HN 0.756 nan 8.230 nan 0.000 0.512 416 I N 0.120 120.281 120.570 -0.681 0.000 2.252 416 I HA -0.245 3.898 4.170 -0.046 0.000 0.245 416 I C 2.650 178.263 176.117 -0.840 0.000 1.102 416 I CA 1.688 62.154 61.300 -1.390 0.000 1.385 416 I CB -0.593 36.755 38.000 -1.087 0.000 1.064 416 I HN 0.970 nan 8.210 nan 0.000 0.414 417 T N -0.892 113.398 114.554 -0.440 0.000 2.684 417 T HA -0.240 4.083 4.350 -0.046 0.000 0.267 417 T C 1.639 176.260 174.700 -0.133 0.000 1.036 417 T CA 1.602 63.560 62.100 -0.236 0.000 1.148 417 T CB -0.686 68.080 68.868 -0.171 0.000 0.863 417 T HN 0.411 nan 8.240 nan 0.000 0.436 418 E N -0.153 119.988 120.200 -0.098 0.000 2.331 418 E HA -0.060 4.262 4.350 -0.046 0.000 0.199 418 E C -0.119 176.591 176.600 0.184 0.000 1.008 418 E CA 0.087 56.512 56.400 0.042 0.000 0.843 418 E CB -0.153 29.598 29.700 0.085 0.000 0.761 418 E HN 0.589 nan 8.360 nan 0.000 0.507 419 W N 2.545 123.846 121.300 0.001 0.000 2.435 419 W HA -0.043 4.589 4.660 -0.046 0.000 0.337 419 W C 1.230 177.751 176.519 0.003 0.000 1.300 419 W CA 0.441 57.791 57.345 0.008 0.000 1.298 419 W CB -0.296 29.169 29.460 0.008 0.000 1.217 419 W HN 0.078 nan 8.180 nan 0.000 0.565 420 R N 1.827 122.458 120.500 0.218 0.000 2.712 420 R HA 0.285 4.597 4.340 -0.046 0.000 0.272 420 R C -0.806 175.518 176.300 0.039 0.000 1.032 420 R CA -0.643 55.518 56.100 0.102 0.000 0.874 420 R CB 1.150 31.492 30.300 0.071 0.000 1.256 420 R HN 0.329 nan 8.270 nan 0.000 0.468 421 D N 0.359 120.761 120.400 0.004 0.000 2.496 421 D HA 0.048 4.660 4.640 -0.046 0.000 0.283 421 D C 0.955 177.196 176.300 -0.097 0.000 1.214 421 D CA -0.097 53.883 54.000 -0.034 0.000 1.089 421 D CB 0.292 41.076 40.800 -0.027 0.000 1.141 421 D HN 0.635 nan 8.370 nan 0.000 0.580 422 E N -0.142 119.959 120.200 -0.165 0.000 2.112 422 E HA -0.140 4.182 4.350 -0.046 0.000 0.190 422 E C 1.043 177.510 176.600 -0.222 0.000 0.979 422 E CA 0.740 56.930 56.400 -0.351 0.000 0.814 422 E CB -0.560 28.805 29.700 -0.557 0.000 0.762 422 E HN 0.406 nan 8.360 nan 0.000 0.460 423 N N 0.970 119.593 118.700 -0.128 0.000 2.354 423 N HA -0.014 4.698 4.740 -0.046 0.000 0.179 423 N C 1.391 176.864 175.510 -0.061 0.000 1.021 423 N CA 1.623 54.624 53.050 -0.082 0.000 0.887 423 N CB 0.461 38.918 38.487 -0.049 0.000 0.974 423 N HN 0.524 nan 8.380 nan 0.000 0.437 424 G N 0.225 108.993 108.800 -0.053 0.000 2.227 424 G HA2 -0.195 3.737 3.960 -0.046 0.000 0.168 424 G HA3 -0.195 3.737 3.960 -0.046 0.000 0.168 424 G C -0.138 174.757 174.900 -0.008 0.000 1.006 424 G CA -0.500 44.582 45.100 -0.029 0.000 0.684 424 G HN 0.321 nan 8.290 nan 0.000 0.489 425 N N -0.364 118.332 118.700 -0.007 0.000 2.267 425 N HA 0.425 5.137 4.740 -0.046 0.000 0.226 425 N C 0.119 175.645 175.510 0.027 0.000 1.314 425 N CA 0.853 53.907 53.050 0.008 0.000 0.887 425 N CB 0.956 39.446 38.487 0.005 0.000 1.120 425 N HN 0.197 nan 8.380 nan 0.000 0.440 426 V N -0.474 119.461 119.914 0.036 0.000 3.103 426 V HA 0.502 4.594 4.120 -0.046 0.000 0.311 426 V C -0.185 175.946 176.094 0.062 0.000 1.322 426 V CA -0.700 61.636 62.300 0.059 0.000 1.063 426 V CB 1.633 33.488 31.823 0.053 0.000 1.090 426 V HN 0.959 nan 8.190 nan 0.000 0.462 439 M N 2.423 121.949 119.600 -0.123 0.000 2.268 439 M HA 0.669 5.121 4.480 -0.046 0.000 0.344 439 M C -0.663 175.562 176.300 -0.125 0.000 1.106 439 M CA -0.536 54.692 55.300 -0.119 0.000 1.010 439 M CB 1.444 34.001 32.600 -0.071 0.000 1.649 439 M HN 0.407 nan 8.290 nan 0.000 0.443 440 R N 5.012 125.385 120.500 -0.211 0.000 2.308 440 R HA 0.683 4.995 4.340 -0.046 0.000 0.305 440 R C -1.307 174.972 176.300 -0.034 0.000 1.053 440 R CA -0.410 55.575 56.100 -0.191 0.000 0.957 440 R CB 0.802 30.864 30.300 -0.397 0.000 1.022 440 R HN 0.762 nan 8.270 nan 0.000 0.461 441 L N 1.212 122.459 121.223 0.041 0.000 2.434 441 L HA 0.573 4.886 4.340 -0.046 0.000 0.260 441 L C 0.310 177.251 176.870 0.118 0.000 0.983 441 L CA -0.471 54.432 54.840 0.106 0.000 0.820 441 L CB 2.410 44.500 42.059 0.051 0.000 1.361 441 L HN 0.924 nan 8.230 nan 0.000 0.410 442 G N 1.467 110.343 108.800 0.127 0.000 2.698 442 G HA2 0.076 4.009 3.960 -0.046 0.000 0.225 442 G HA3 0.076 4.009 3.960 -0.046 0.000 0.225 442 G C -0.492 174.488 174.900 0.133 0.000 1.345 442 G CA -0.334 44.819 45.100 0.088 0.000 0.871 442 G HN 1.012 nan 8.290 nan 0.000 0.540 443 A N -0.174 122.698 122.820 0.088 0.000 2.440 443 A HA 0.676 4.968 4.320 -0.046 0.000 0.251 443 A C 0.462 178.116 177.584 0.117 0.000 1.089 443 A CA 1.388 53.476 52.037 0.084 0.000 0.779 443 A CB 0.921 19.953 19.000 0.052 0.000 1.022 443 A HN 1.215 nan 8.150 nan 0.000 0.492 444 Q N 1.411 121.289 119.800 0.131 0.000 2.320 444 Q HA 0.224 4.536 4.340 -0.046 0.000 0.272 444 Q C -1.059 175.002 176.000 0.101 0.000 1.023 444 Q CA -0.555 55.342 55.803 0.157 0.000 0.855 444 Q CB 1.507 30.416 28.738 0.285 0.000 1.367 444 Q HN 0.890 nan 8.270 nan 0.000 0.406 445 Q N 1.078 120.916 119.800 0.064 0.000 2.361 445 Q HA 0.186 4.498 4.340 -0.046 0.000 0.276 445 Q C -0.960 175.067 176.000 0.044 0.000 1.022 445 Q CA 0.384 56.202 55.803 0.025 0.000 0.898 445 Q CB 1.067 29.816 28.738 0.018 0.000 1.246 445 Q HN 0.611 nan 8.270 nan 0.000 0.410 446 C N 3.556 122.852 119.300 -0.006 0.000 2.547 446 C HA 0.362 4.794 4.460 -0.046 0.000 0.313 446 C C -1.111 173.869 174.990 -0.016 0.000 1.191 446 C CA -0.679 58.352 59.018 0.023 0.000 1.474 446 C CB 1.667 29.436 27.740 0.049 0.000 2.081 446 C HN 0.719 nan 8.230 nan 0.000 0.476 447 Q N 4.705 124.515 119.800 0.015 0.000 2.303 447 Q HA 0.441 4.753 4.340 -0.046 0.000 0.257 447 Q C -0.737 175.263 176.000 -0.001 0.000 0.941 447 Q CA -0.080 55.724 55.803 0.002 0.000 0.931 447 Q CB 1.746 30.494 28.738 0.015 0.000 1.215 447 Q HN 0.734 nan 8.270 nan 0.000 0.437 448 L N 2.305 123.516 121.223 -0.020 0.000 2.305 448 L HA 0.282 4.594 4.340 -0.046 0.000 0.281 448 L C 0.145 177.017 176.870 0.004 0.000 1.085 448 L CA -0.803 54.029 54.840 -0.013 0.000 0.813 448 L CB 1.191 43.231 42.059 -0.031 0.000 1.157 448 L HN 0.259 nan 8.230 nan 0.000 0.436 449 V N 3.846 123.765 119.914 0.008 0.000 2.521 449 V HA -0.095 3.997 4.120 -0.046 0.000 0.286 449 V C 1.310 177.410 176.094 0.011 0.000 1.034 449 V CA 0.197 62.501 62.300 0.006 0.000 1.045 449 V CB 1.018 32.841 31.823 -0.001 0.000 0.974 449 V HN 0.837 nan 8.190 nan 0.000 0.480 450 D N 3.255 123.661 120.400 0.010 0.000 2.157 450 D HA -0.196 4.416 4.640 -0.046 0.000 0.191 450 D C 1.116 177.425 176.300 0.015 0.000 1.004 450 D CA 1.969 55.977 54.000 0.014 0.000 0.854 450 D CB 0.249 41.056 40.800 0.011 0.000 0.936 450 D HN 0.727 nan 8.370 nan 0.000 0.446 451 D N -0.417 119.989 120.400 0.010 0.000 2.342 451 D HA 0.025 4.637 4.640 -0.046 0.000 0.221 451 D C -0.066 176.239 176.300 0.009 0.000 1.101 451 D CA -0.041 53.965 54.000 0.011 0.000 0.837 451 D CB 0.246 41.051 40.800 0.008 0.000 0.938 451 D HN 0.082 nan 8.370 nan 0.000 0.508 452 S N 0.071 115.776 115.700 0.008 0.000 2.564 452 S HA 0.050 4.493 4.470 -0.046 0.000 0.278 452 S C 1.375 175.983 174.600 0.013 0.000 1.333 452 S CA -0.761 57.439 58.200 0.001 0.000 1.048 452 S CB 1.507 64.706 63.200 -0.002 0.000 0.900 452 S HN 0.098 nan 8.310 nan 0.000 0.505 453 L N 4.218 125.434 121.223 -0.011 0.000 2.012 453 L HA -0.041 4.271 4.340 -0.046 0.000 0.210 453 L C 2.255 179.145 176.870 0.033 0.000 1.073 453 L CA 1.721 56.557 54.840 -0.007 0.000 0.748 453 L CB -1.170 40.833 42.059 -0.094 0.000 0.891 453 L HN 0.661 nan 8.230 nan 0.000 0.431 454 V N 0.243 120.173 119.914 0.027 0.000 2.568 454 V HA -0.257 3.835 4.120 -0.046 0.000 0.253 454 V C 2.948 179.180 176.094 0.231 0.000 1.072 454 V CA 1.868 64.255 62.300 0.144 0.000 1.084 454 V CB -0.779 31.117 31.823 0.122 0.000 0.676 454 V HN 0.583 nan 8.190 nan 0.000 0.469 455 R N -0.122 120.454 120.500 0.127 0.000 2.092 455 R HA -0.145 4.167 4.340 -0.046 0.000 0.231 455 R C 2.218 178.596 176.300 0.130 0.000 1.119 455 R CA 2.036 58.205 56.100 0.116 0.000 0.970 455 R CB -0.594 29.742 30.300 0.061 0.000 0.864 455 R HN 0.762 nan 8.270 nan 0.000 0.440 456 Q N 0.196 120.060 119.800 0.107 0.000 1.965 456 Q HA -0.115 4.197 4.340 -0.046 0.000 0.200 456 Q C 2.251 178.316 176.000 0.108 0.000 0.981 456 Q CA 1.681 57.540 55.803 0.094 0.000 0.834 456 Q CB -0.203 28.581 28.738 0.076 0.000 0.900 456 Q HN 0.327 nan 8.270 nan 0.000 0.426 457 L N -0.357 120.937 121.223 0.119 0.000 1.971 457 L HA -0.246 4.066 4.340 -0.046 0.000 0.215 457 L C 2.539 179.435 176.870 0.045 0.000 1.072 457 L CA 1.771 56.659 54.840 0.080 0.000 0.758 457 L CB -1.005 41.098 42.059 0.074 0.000 0.889 457 L HN 0.309 nan 8.230 nan 0.000 0.433 458 Y N 0.132 120.470 120.300 0.063 0.000 2.315 458 Y HA -0.240 4.282 4.550 -0.047 0.000 0.288 458 Y C 1.329 177.242 175.900 0.021 0.000 1.154 458 Y CA 1.228 59.348 58.100 0.033 0.000 1.229 458 Y CB -0.520 37.957 38.460 0.029 0.000 0.980 458 Y HN 0.421 nan 8.280 nan 0.000 0.540 459 N N -0.350 118.455 118.700 0.175 0.000 2.696 459 N HA -0.140 4.572 4.740 -0.046 0.000 0.256 459 N C -1.259 174.311 175.510 0.100 0.000 1.031 459 N CA 0.775 53.889 53.050 0.108 0.000 0.730 459 N CB -1.022 37.507 38.487 0.070 0.000 0.894 459 N HN 0.449 nan 8.380 nan 0.000 0.544 460 A N -0.289 122.589 122.820 0.098 0.000 2.586 460 A HA 0.525 4.817 4.320 -0.046 0.000 0.298 460 A C -2.288 175.315 177.584 0.030 0.000 1.013 460 A CA -0.466 51.606 52.037 0.057 0.000 0.707 460 A CB 0.597 19.629 19.000 0.054 0.000 1.276 460 A HN 0.049 nan 8.150 nan 0.000 0.414 461 P HA -0.007 nan 4.420 nan 0.000 0.216 461 P C 0.869 178.155 177.300 -0.023 0.000 1.153 461 P CA 2.331 65.432 63.100 0.002 0.000 0.848 461 P CB -0.043 31.660 31.700 0.005 0.000 0.787 462 T N -2.252 112.283 114.554 -0.032 0.000 2.908 462 T HA 0.699 5.021 4.350 -0.046 0.000 0.290 462 T C -0.220 174.422 174.700 -0.097 0.000 1.034 462 T CA -0.958 61.106 62.100 -0.060 0.000 1.010 462 T CB 1.645 70.493 68.868 -0.032 0.000 1.068 462 T HN 0.089 nan 8.240 nan 0.000 0.481 463 I N -1.101 119.372 120.570 -0.161 0.000 3.279 463 I HA 0.887 5.029 4.170 -0.046 0.000 0.315 463 I C -1.829 174.181 176.117 -0.179 0.000 1.187 463 I CA -1.614 59.559 61.300 -0.212 0.000 0.953 463 I CB 2.172 39.871 38.000 -0.502 0.000 1.279 463 I HN 0.491 nan 8.210 nan 0.000 0.465 464 V N 2.166 121.984 119.914 -0.160 0.000 2.531 464 V HA 0.619 4.711 4.120 -0.046 0.000 0.301 464 V C -0.522 175.455 176.094 -0.195 0.000 1.034 464 V CA -0.318 61.906 62.300 -0.128 0.000 0.865 464 V CB 1.575 33.373 31.823 -0.042 0.000 0.995 464 V HN 0.782 nan 8.190 nan 0.000 0.424 465 E N 3.209 123.239 120.200 -0.283 0.000 2.429 465 E HA 0.567 4.889 4.350 -0.046 0.000 0.276 465 E C -1.200 175.268 176.600 -0.221 0.000 0.953 465 E CA -1.052 55.121 56.400 -0.378 0.000 0.787 465 E CB 2.979 32.007 29.700 -1.121 0.000 1.307 465 E HN 0.551 nan 8.360 nan 0.000 0.458 466 R N 1.019 121.482 120.500 -0.063 0.000 2.407 466 R HA 0.536 4.848 4.340 -0.046 0.000 0.303 466 R C -0.392 175.963 176.300 0.092 0.000 0.981 466 R CA -0.567 55.568 56.100 0.059 0.000 0.905 466 R CB 0.792 31.198 30.300 0.175 0.000 1.099 466 R HN 0.450 nan 8.270 nan 0.000 0.459 467 H N 0.610 119.905 119.070 0.375 0.000 2.616 467 H HA 0.468 4.996 4.556 -0.046 0.000 0.353 467 H C -0.150 175.403 175.328 0.376 0.000 1.170 467 H CA -0.896 55.433 56.048 0.467 0.000 1.212 467 H CB 1.922 31.883 29.762 0.331 0.000 1.653 467 H HN 0.274 nan 8.280 nan 0.000 0.537 468 R N 2.648 123.539 120.500 0.651 0.000 2.797 468 R HA 0.106 4.418 4.340 -0.046 0.000 0.230 468 R C -1.683 174.984 176.300 0.611 0.000 1.591 468 R CA -0.369 56.010 56.100 0.465 0.000 1.501 468 R CB -0.063 30.456 30.300 0.364 0.000 1.524 468 R HN 1.014 nan 8.270 nan 0.000 0.711 469 H N -1.155 118.140 119.070 0.374 0.000 2.932 469 H HA 0.408 4.936 4.556 -0.047 0.000 0.307 469 H C -0.759 174.697 175.328 0.213 0.000 1.391 469 H CA -0.790 55.490 56.048 0.387 0.000 1.130 469 H CB 1.561 31.558 29.762 0.392 0.000 1.836 469 H HN 0.141 nan 8.280 nan 0.000 0.522 470 R N -0.705 119.968 120.500 0.289 0.000 2.342 470 R HA 0.160 4.472 4.340 -0.046 0.000 0.179 470 R C -0.196 176.099 176.300 -0.009 0.000 0.989 470 R CA -0.137 55.958 56.100 -0.008 0.000 1.125 470 R CB 0.351 30.551 30.300 -0.167 0.000 1.211 470 R HN 0.330 nan 8.270 nan 0.000 0.568 471 Y N 2.830 123.287 120.300 0.263 0.000 2.650 471 Y HA -0.014 4.508 4.550 -0.047 0.000 0.331 471 Y C 0.461 176.525 175.900 0.272 0.000 1.165 471 Y CA 0.547 58.772 58.100 0.209 0.000 1.473 471 Y CB 0.281 38.809 38.460 0.113 0.000 1.224 471 Y HN -0.046 nan 8.280 nan 0.000 0.533 472 E N 1.649 122.072 120.200 0.370 0.000 2.281 472 E HA 0.382 4.704 4.350 -0.046 0.000 0.262 472 E C -0.879 175.935 176.600 0.357 0.000 0.933 472 E CA -1.197 55.433 56.400 0.383 0.000 0.809 472 E CB 2.443 32.399 29.700 0.426 0.000 1.242 472 E HN 0.230 nan 8.360 nan 0.000 0.418 473 V N 2.635 122.681 119.914 0.221 0.000 2.540 473 V HA -0.079 4.013 4.120 -0.046 0.000 0.297 473 V C 0.694 176.669 176.094 -0.199 0.000 1.024 473 V CA -0.059 62.262 62.300 0.034 0.000 1.105 473 V CB -0.026 31.787 31.823 -0.016 0.000 0.938 473 V HN 0.505 nan 8.190 nan 0.000 0.482 474 N N 5.005 123.476 118.700 -0.381 0.000 2.406 474 N HA 0.021 4.733 4.740 -0.046 0.000 0.274 474 N C 1.023 175.968 175.510 -0.942 0.000 1.249 474 N CA 0.165 52.614 53.050 -1.001 0.000 0.951 474 N CB 0.333 38.486 38.487 -0.555 0.000 1.241 474 N HN 0.551 nan 8.380 nan 0.000 0.485 475 N N 3.451 121.266 118.700 -1.476 0.000 2.272 475 N HA -0.108 4.604 4.740 -0.046 0.000 0.185 475 N C 1.535 176.792 175.510 -0.422 0.000 1.014 475 N CA 0.984 53.605 53.050 -0.714 0.000 0.870 475 N CB -0.004 38.179 38.487 -0.507 0.000 0.975 475 N HN 0.623 nan 8.380 nan 0.000 0.433 476 M N -0.212 119.108 119.600 -0.466 0.000 2.080 476 M HA -0.109 4.343 4.480 -0.046 0.000 0.260 476 M C 1.306 177.520 176.300 -0.144 0.000 1.068 476 M CA 1.348 56.524 55.300 -0.207 0.000 1.109 476 M CB -0.185 32.338 32.600 -0.127 0.000 1.342 476 M HN 0.077 nan 8.290 nan 0.000 0.405 477 L N -0.473 120.652 121.223 -0.162 0.000 2.591 477 L HA -0.033 4.279 4.340 -0.046 0.000 0.228 477 L C 1.983 178.804 176.870 -0.082 0.000 1.133 477 L CA -0.470 54.327 54.840 -0.073 0.000 0.880 477 L CB -0.527 41.521 42.059 -0.019 0.000 1.033 477 L HN 0.245 nan 8.230 nan 0.000 0.450 478 L N 0.961 122.105 121.223 -0.131 0.000 1.924 478 L HA -0.261 4.051 4.340 -0.046 0.000 0.222 478 L C 2.513 179.345 176.870 -0.064 0.000 1.081 478 L CA 1.965 56.741 54.840 -0.107 0.000 0.780 478 L CB -0.603 41.380 42.059 -0.127 0.000 0.891 478 L HN 0.143 nan 8.230 nan 0.000 0.434 479 K N -1.046 119.322 120.400 -0.053 0.000 2.184 479 K HA -0.349 3.943 4.320 -0.046 0.000 0.210 479 K C 2.082 178.670 176.600 -0.020 0.000 1.048 479 K CA 2.216 58.484 56.287 -0.032 0.000 0.931 479 K CB -0.321 32.165 32.500 -0.024 0.000 0.718 479 K HN 0.468 nan 8.250 nan 0.000 0.465 480 Q N 0.768 120.558 119.800 -0.017 0.000 1.921 480 Q HA -0.175 4.137 4.340 -0.046 0.000 0.208 480 Q C 2.117 178.119 176.000 0.003 0.000 0.994 480 Q CA 2.237 58.036 55.803 -0.005 0.000 0.857 480 Q CB -0.090 28.649 28.738 0.002 0.000 0.925 480 Q HN 0.351 nan 8.270 nan 0.000 0.421 481 I N -0.388 120.184 120.570 0.004 0.000 2.151 481 I HA -0.290 3.852 4.170 -0.046 0.000 0.243 481 I C 2.178 178.322 176.117 0.045 0.000 1.080 481 I CA 1.750 63.083 61.300 0.056 0.000 1.339 481 I CB -1.025 36.997 38.000 0.037 0.000 1.039 481 I HN 0.380 nan 8.210 nan 0.000 0.409 482 E N 1.238 121.428 120.200 -0.018 0.000 2.147 482 E HA -0.274 4.048 4.350 -0.046 0.000 0.199 482 E C 1.737 178.334 176.600 -0.006 0.000 1.005 482 E CA 1.942 58.321 56.400 -0.036 0.000 0.810 482 E CB 0.012 29.687 29.700 -0.042 0.000 0.736 482 E HN 0.481 nan 8.360 nan 0.000 0.460 483 D N -0.552 119.853 120.400 0.009 0.000 2.123 483 D HA -0.066 4.546 4.640 -0.046 0.000 0.200 483 D C 1.642 177.963 176.300 0.035 0.000 0.976 483 D CA 1.174 55.182 54.000 0.013 0.000 0.831 483 D CB -0.282 40.520 40.800 0.004 0.000 0.974 483 D HN 0.214 nan 8.370 nan 0.000 0.469 484 A N -0.173 122.687 122.820 0.067 0.000 2.234 484 A HA 0.216 4.508 4.320 -0.046 0.000 0.216 484 A C 1.516 179.193 177.584 0.154 0.000 1.167 484 A CA 1.531 53.617 52.037 0.080 0.000 0.698 484 A CB -0.488 18.546 19.000 0.058 0.000 0.779 484 A HN 0.341 nan 8.150 nan 0.000 0.475 485 G N -2.079 106.810 108.800 0.148 0.000 2.327 485 G HA2 0.063 3.995 3.960 -0.046 0.000 0.159 485 G HA3 0.063 3.995 3.960 -0.046 0.000 0.159 485 G C -0.509 174.410 174.900 0.031 0.000 1.056 485 G CA -0.022 45.145 45.100 0.111 0.000 0.751 485 G HN 0.933 nan 8.290 nan 0.000 0.488 486 L N 0.302 121.456 121.223 -0.114 0.000 2.329 486 L HA 0.841 5.153 4.340 -0.046 0.000 0.279 486 L C 0.375 177.112 176.870 -0.222 0.000 1.014 486 L CA -1.500 53.100 54.840 -0.401 0.000 0.814 486 L CB 1.322 42.972 42.059 -0.682 0.000 1.257 486 L HN 0.260 nan 8.230 nan 0.000 0.424 487 R N 3.103 123.472 120.500 -0.218 0.000 2.254 487 R HA 0.541 4.853 4.340 -0.046 0.000 0.318 487 R C -1.209 175.022 176.300 -0.116 0.000 1.031 487 R CA -0.542 55.479 56.100 -0.131 0.000 0.905 487 R CB 1.274 31.510 30.300 -0.105 0.000 1.050 487 R HN 0.546 nan 8.270 nan 0.000 0.456 488 V N 4.977 124.842 119.914 -0.081 0.000 2.304 488 V HA 0.135 4.227 4.120 -0.046 0.000 0.262 488 V C 0.888 176.959 176.094 -0.039 0.000 1.061 488 V CA 0.180 62.444 62.300 -0.061 0.000 0.872 488 V CB 0.809 32.603 31.823 -0.047 0.000 1.077 488 V HN 1.017 nan 8.190 nan 0.000 0.480 489 A N 4.109 126.905 122.820 -0.040 0.000 1.970 489 A HA 0.464 4.756 4.320 -0.046 0.000 0.216 489 A C 1.187 178.774 177.584 0.005 0.000 1.170 489 A CA 1.049 53.074 52.037 -0.020 0.000 0.645 489 A CB 0.021 19.005 19.000 -0.027 0.000 0.816 489 A HN 0.876 nan 8.150 nan 0.000 0.447 490 G N -1.132 107.678 108.800 0.016 0.000 2.706 490 G HA2 0.595 4.527 3.960 -0.046 0.000 0.297 490 G HA3 0.595 4.527 3.960 -0.046 0.000 0.297 490 G C -0.966 173.969 174.900 0.059 0.000 1.403 490 G CA -0.709 44.419 45.100 0.046 0.000 0.954 490 G HN 0.253 nan 8.290 nan 0.000 0.500 491 R N -0.158 120.381 120.500 0.065 0.000 2.867 491 R HA 0.645 4.957 4.340 -0.046 0.000 0.268 491 R C 1.113 177.468 176.300 0.091 0.000 1.014 491 R CA -0.375 55.768 56.100 0.072 0.000 0.946 491 R CB 2.148 32.477 30.300 0.048 0.000 1.208 491 R HN 0.718 nan 8.270 nan 0.000 0.477 492 S N -0.369 115.387 115.700 0.094 0.000 2.240 492 S HA 0.279 4.722 4.470 -0.046 0.000 0.154 492 S C 0.962 175.599 174.600 0.062 0.000 1.332 492 S CA 0.529 58.782 58.200 0.088 0.000 2.219 492 S CB -0.357 62.884 63.200 0.068 0.000 0.433 492 S HN 0.662 nan 8.310 nan 0.000 0.355 493 G N -0.117 108.712 108.800 0.048 0.000 3.054 493 G HA2 0.238 4.170 3.960 -0.046 0.000 0.201 493 G HA3 0.238 4.170 3.960 -0.046 0.000 0.201 493 G C 0.487 175.408 174.900 0.034 0.000 1.694 493 G CA 0.540 45.661 45.100 0.036 0.000 0.742 493 G HN 0.519 nan 8.290 nan 0.000 0.790 494 D N 1.429 121.845 120.400 0.026 0.000 2.205 494 D HA -0.165 4.447 4.640 -0.046 0.000 0.190 494 D C 1.254 177.576 176.300 0.037 0.000 1.002 494 D CA 1.756 55.770 54.000 0.024 0.000 0.848 494 D CB -0.148 40.659 40.800 0.011 0.000 0.975 494 D HN 0.395 nan 8.370 nan 0.000 0.449 495 D N 0.686 121.114 120.400 0.045 0.000 2.413 495 D HA -0.055 4.557 4.640 -0.046 0.000 0.237 495 D C -0.107 176.258 176.300 0.109 0.000 1.171 495 D CA -0.050 53.999 54.000 0.082 0.000 0.839 495 D CB -0.834 40.011 40.800 0.076 0.000 0.950 495 D HN 0.351 nan 8.370 nan 0.000 0.499 496 Q N 0.697 120.542 119.800 0.076 0.000 2.314 496 Q HA -0.190 4.123 4.340 -0.046 0.000 0.348 496 Q C -0.378 175.683 176.000 0.102 0.000 1.194 496 Q CA 0.257 56.104 55.803 0.073 0.000 1.137 496 Q CB -1.064 27.707 28.738 0.055 0.000 1.283 496 Q HN 0.474 nan 8.270 nan 0.000 0.295 497 L N 0.671 121.964 121.223 0.118 0.000 2.418 497 L HA 0.252 4.564 4.340 -0.046 0.000 0.265 497 L C 0.436 177.373 176.870 0.113 0.000 1.143 497 L CA -0.679 54.255 54.840 0.157 0.000 0.809 497 L CB 0.809 42.969 42.059 0.168 0.000 1.124 497 L HN 0.142 nan 8.230 nan 0.000 0.456 498 V N 2.558 122.529 119.914 0.096 0.000 2.470 498 V HA 0.064 4.156 4.120 -0.046 0.000 0.276 498 V C 0.803 176.934 176.094 0.061 0.000 1.040 498 V CA -0.126 62.204 62.300 0.051 0.000 1.008 498 V CB 0.652 32.478 31.823 0.006 0.000 0.990 498 V HN 0.785 nan 8.190 nan 0.000 0.477 499 E N 4.277 124.520 120.200 0.072 0.000 2.290 499 E HA 0.286 4.608 4.350 -0.046 0.000 0.197 499 E C 0.041 176.606 176.600 -0.059 0.000 0.948 499 E CA 0.653 57.110 56.400 0.095 0.000 0.895 499 E CB 0.936 30.805 29.700 0.282 0.000 0.865 499 E HN 0.666 nan 8.360 nan 0.000 0.486 500 I N 1.469 122.018 120.570 -0.035 0.000 2.752 500 I HA 0.324 4.466 4.170 -0.046 0.000 0.295 500 I C -0.547 175.527 176.117 -0.072 0.000 1.219 500 I CA -0.947 60.302 61.300 -0.085 0.000 1.030 500 I CB 2.756 40.734 38.000 -0.036 0.000 1.259 500 I HN -0.127 nan 8.210 nan 0.000 0.423 501 I N 0.834 121.348 120.570 -0.094 0.000 2.647 501 I HA 0.703 4.845 4.170 -0.046 0.000 0.295 501 I C -1.379 174.689 176.117 -0.082 0.000 1.078 501 I CA -0.397 60.845 61.300 -0.096 0.000 1.048 501 I CB 2.380 40.312 38.000 -0.113 0.000 1.239 501 I HN 0.641 nan 8.210 nan 0.000 0.421 502 E N 4.568 124.712 120.200 -0.094 0.000 2.238 502 E HA 0.522 4.844 4.350 -0.046 0.000 0.267 502 E C -1.247 175.293 176.600 -0.100 0.000 0.887 502 E CA -1.005 55.355 56.400 -0.066 0.000 0.769 502 E CB 3.384 33.025 29.700 -0.099 0.000 1.187 502 E HN 0.452 nan 8.360 nan 0.000 0.416 503 V N 4.649 124.532 119.914 -0.051 0.000 2.461 503 V HA 0.076 4.168 4.120 -0.046 0.000 0.275 503 V C -1.423 174.626 176.094 -0.076 0.000 1.047 503 V CA -1.437 60.730 62.300 -0.223 0.000 0.955 503 V CB 0.917 32.389 31.823 -0.584 0.000 0.988 503 V HN 0.655 nan 8.190 nan 0.000 0.471 504 P HA -0.230 nan 4.420 nan 0.000 0.233 504 P C 0.332 177.652 177.300 0.034 0.000 0.801 504 P CA 1.538 64.630 63.100 -0.013 0.000 1.108 504 P CB 0.058 31.756 31.700 -0.003 0.000 0.711 505 N N -1.438 117.294 118.700 0.054 0.000 2.699 505 N HA 0.090 4.802 4.740 -0.046 0.000 0.317 505 N C -0.170 175.405 175.510 0.109 0.000 1.661 505 N CA -0.109 52.983 53.050 0.070 0.000 0.979 505 N CB -0.373 38.139 38.487 0.043 0.000 1.329 505 N HN 0.410 nan 8.380 nan 0.000 0.497 506 H N 0.596 119.697 119.070 0.051 0.000 2.488 506 H HA 0.287 4.815 4.556 -0.046 0.000 0.347 506 H C -1.172 174.255 175.328 0.165 0.000 1.174 506 H CA -1.023 55.087 56.048 0.104 0.000 1.307 506 H CB 1.397 31.234 29.762 0.125 0.000 1.517 506 H HN -0.059 nan 8.280 nan 0.000 0.554 507 P HA -0.137 nan 4.420 nan 0.000 0.214 507 P C -0.749 176.812 177.300 0.434 0.000 1.163 507 P CA 1.396 64.559 63.100 0.104 0.000 0.889 507 P CB 0.182 31.896 31.700 0.022 0.000 0.790 508 W N -0.971 120.633 121.300 0.506 0.000 2.783 508 W HA 0.418 5.050 4.660 -0.046 0.000 0.304 508 W C -1.993 174.823 176.519 0.495 0.000 1.056 508 W CA -0.519 57.077 57.345 0.418 0.000 1.175 508 W CB 0.487 30.106 29.460 0.264 0.000 1.029 508 W HN -0.317 nan 8.180 nan 0.000 0.331 509 F N 6.462 126.475 119.950 0.106 0.000 2.430 509 F HA 0.704 5.203 4.527 -0.046 0.000 0.362 509 F C -0.963 174.676 175.800 -0.269 0.000 1.103 509 F CA -0.795 57.140 58.000 -0.109 0.000 1.045 509 F CB 0.733 39.467 39.000 -0.445 0.000 1.276 509 F HN -0.110 nan 8.300 nan 0.000 0.444 510 V N 3.814 123.481 119.914 -0.412 0.000 2.841 510 V HA 0.943 5.035 4.120 -0.046 0.000 0.310 510 V C -0.763 175.156 176.094 -0.292 0.000 1.090 510 V CA -0.912 61.148 62.300 -0.400 0.000 0.930 510 V CB 1.576 32.965 31.823 -0.722 0.000 1.014 510 V HN 0.852 nan 8.190 nan 0.000 0.425 511 A N 2.483 125.176 122.820 -0.212 0.000 2.517 511 A HA 0.909 5.201 4.320 -0.046 0.000 0.297 511 A C -0.676 176.750 177.584 -0.263 0.000 1.050 511 A CA -0.340 51.572 52.037 -0.208 0.000 0.694 511 A CB 1.551 20.511 19.000 -0.066 0.000 1.277 511 A HN 1.756 nan 8.150 nan 0.000 0.400 512 C N 0.477 119.538 119.300 -0.398 0.000 3.090 512 C HA 0.704 5.137 4.460 -0.046 0.000 0.305 512 C C 0.933 175.528 174.990 -0.659 0.000 1.292 512 C CA -0.576 58.073 59.018 -0.614 0.000 1.482 512 C CB 1.460 28.565 27.740 -1.059 0.000 1.897 512 C HN 0.900 nan 8.230 nan 0.000 0.469 513 Q N 0.529 119.948 119.800 -0.635 0.000 2.020 513 Q HA 0.050 4.362 4.340 -0.046 0.000 0.198 513 Q C 0.912 176.694 176.000 -0.363 0.000 0.974 513 Q CA 1.595 57.134 55.803 -0.440 0.000 0.829 513 Q CB -0.241 28.365 28.738 -0.221 0.000 0.894 513 Q HN 0.858 nan 8.270 nan 0.000 0.433 514 F N -0.063 119.875 119.950 -0.021 0.000 2.472 514 F HA 0.163 4.662 4.527 -0.047 0.000 0.312 514 F C 0.526 176.172 175.800 -0.256 0.000 1.256 514 F CA -0.404 57.504 58.000 -0.154 0.000 1.275 514 F CB 0.001 38.752 39.000 -0.416 0.000 1.228 514 F HN -0.021 nan 8.300 nan 0.000 0.567 515 H N 1.603 120.844 119.070 0.284 0.000 2.643 515 H HA 0.189 4.718 4.556 -0.046 0.000 0.259 515 H C -1.885 173.517 175.328 0.123 0.000 1.298 515 H CA -1.502 54.561 56.048 0.026 0.000 1.301 515 H CB 0.732 30.233 29.762 -0.435 0.000 1.422 515 H HN 0.392 nan 8.280 nan 0.000 0.521 516 P HA -0.242 nan 4.420 nan 0.000 0.216 516 P C 1.626 179.042 177.300 0.193 0.000 1.150 516 P CA 1.177 64.472 63.100 0.324 0.000 0.843 516 P CB 0.364 32.150 31.700 0.143 0.000 0.787 517 E N -0.233 120.068 120.200 0.169 0.000 2.219 517 E HA -0.212 4.110 4.350 -0.046 0.000 0.198 517 E C 1.354 178.046 176.600 0.153 0.000 0.998 517 E CA 1.244 57.634 56.400 -0.016 0.000 0.818 517 E CB -1.304 28.342 29.700 -0.090 0.000 0.741 517 E HN 0.212 nan 8.360 nan 0.000 0.477 518 F N 2.028 122.122 119.950 0.240 0.000 2.771 518 F HA 0.048 4.547 4.527 -0.046 0.000 0.299 518 F C 2.167 178.134 175.800 0.278 0.000 1.177 518 F CA 1.301 59.444 58.000 0.239 0.000 1.450 518 F CB -0.359 38.626 39.000 -0.026 0.000 1.114 518 F HN 0.206 nan 8.300 nan 0.000 0.587 519 T N -5.623 109.205 114.554 0.456 0.000 2.959 519 T HA 0.137 4.459 4.350 -0.046 0.000 0.254 519 T C 1.065 176.010 174.700 0.408 0.000 1.003 519 T CA 0.171 62.518 62.100 0.412 0.000 0.950 519 T CB -0.214 68.883 68.868 0.382 0.000 1.090 519 T HN 0.002 nan 8.240 nan 0.000 0.503 520 S N 0.988 116.934 115.700 0.410 0.000 2.572 520 S HA 0.437 4.880 4.470 -0.046 0.000 0.267 520 S C -0.305 174.444 174.600 0.248 0.000 1.361 520 S CA 0.293 58.683 58.200 0.317 0.000 1.009 520 S CB 0.117 63.360 63.200 0.072 0.000 0.888 520 S HN 0.544 nan 8.310 nan 0.000 0.553 521 T N 2.902 117.551 114.554 0.158 0.000 2.957 521 T HA 0.411 4.733 4.350 -0.046 0.000 0.336 521 T C -2.200 172.180 174.700 -0.534 0.000 1.462 521 T CA -0.777 61.284 62.100 -0.066 0.000 1.073 521 T CB 1.829 70.657 68.868 -0.066 0.000 1.319 521 T HN 0.441 nan 8.240 nan 0.000 0.485 522 P HA -0.060 nan 4.420 nan 0.000 0.215 522 P C 1.204 178.067 177.300 -0.727 0.000 1.153 522 P CA 1.181 63.473 63.100 -1.347 0.000 0.853 522 P CB 0.349 31.234 31.700 -1.358 0.000 0.788 523 R N -0.696 119.426 120.500 -0.631 0.000 2.115 523 R HA -0.023 4.289 4.340 -0.046 0.000 0.226 523 R C 1.216 177.323 176.300 -0.322 0.000 1.100 523 R CA 1.240 57.025 56.100 -0.526 0.000 0.980 523 R CB -0.188 29.713 30.300 -0.664 0.000 0.875 523 R HN 0.204 nan 8.270 nan 0.000 0.445 524 D N -1.278 118.977 120.400 -0.241 0.000 2.474 524 D HA 0.154 4.766 4.640 -0.046 0.000 0.213 524 D C 0.858 177.115 176.300 -0.073 0.000 1.120 524 D CA 0.688 54.607 54.000 -0.135 0.000 0.836 524 D CB 0.955 41.700 40.800 -0.092 0.000 1.019 524 D HN 0.242 nan 8.370 nan 0.000 0.507 525 G N 0.999 109.758 108.800 -0.069 0.000 2.598 525 G HA2 -0.274 3.658 3.960 -0.046 0.000 0.269 525 G HA3 -0.274 3.658 3.960 -0.046 0.000 0.269 525 G C -0.330 174.672 174.900 0.169 0.000 1.289 525 G CA -0.024 45.110 45.100 0.056 0.000 0.926 525 G HN 0.446 nan 8.290 nan 0.000 0.567 526 H N 0.469 119.604 119.070 0.109 0.000 3.154 526 H HA 0.349 4.877 4.556 -0.046 0.000 0.330 526 H C -1.758 173.643 175.328 0.122 0.000 1.033 526 H CA -0.600 55.538 56.048 0.150 0.000 1.393 526 H CB 1.782 31.718 29.762 0.291 0.000 1.951 526 H HN 0.188 nan 8.280 nan 0.000 0.466 527 P HA -0.243 nan 4.420 nan 0.000 0.219 527 P C 1.983 179.359 177.300 0.127 0.000 1.159 527 P CA 1.449 64.474 63.100 -0.126 0.000 0.944 527 P CB 0.396 31.718 31.700 -0.630 0.000 0.792 528 L N -2.762 118.618 121.223 0.261 0.000 1.956 528 L HA -0.227 4.085 4.340 -0.046 0.000 0.216 528 L C 2.654 179.633 176.870 0.182 0.000 1.073 528 L CA 1.847 56.837 54.840 0.251 0.000 0.762 528 L CB -1.172 40.935 42.059 0.080 0.000 0.889 528 L HN -0.091 nan 8.230 nan 0.000 0.433 529 F N 0.025 120.095 119.950 0.200 0.000 2.091 529 F HA -0.279 4.221 4.527 -0.046 0.000 0.299 529 F C 2.668 178.530 175.800 0.102 0.000 1.103 529 F CA 1.452 59.529 58.000 0.128 0.000 1.228 529 F CB -0.954 38.090 39.000 0.073 0.000 0.984 529 F HN 0.068 nan 8.300 nan 0.000 0.477 530 A N 0.471 123.470 122.820 0.297 0.000 1.859 530 A HA -0.161 4.131 4.320 -0.046 0.000 0.217 530 A C 2.589 180.198 177.584 0.041 0.000 1.198 530 A CA 2.170 54.293 52.037 0.143 0.000 0.629 530 A CB -1.683 17.389 19.000 0.120 0.000 0.830 530 A HN 0.425 nan 8.150 nan 0.000 0.446 531 G N -1.269 107.583 108.800 0.086 0.000 2.446 531 G HA2 -0.254 3.678 3.960 -0.046 0.000 0.217 531 G HA3 -0.254 3.678 3.960 -0.046 0.000 0.217 531 G C 1.446 176.078 174.900 -0.447 0.000 1.168 531 G CA 1.289 46.421 45.100 0.052 0.000 0.771 531 G HN 0.473 nan 8.290 nan 0.000 0.551 532 F N 1.656 121.090 119.950 -0.859 0.000 2.025 532 F HA -0.187 4.312 4.527 -0.047 0.000 0.297 532 F C 2.780 178.102 175.800 -0.797 0.000 1.132 532 F CA 1.835 58.919 58.000 -1.528 0.000 1.191 532 F CB -0.800 37.620 39.000 -0.966 0.000 0.963 532 F HN 0.018 nan 8.300 nan 0.000 0.481 533 V N 0.878 120.480 119.914 -0.519 0.000 2.324 533 V HA -0.377 3.715 4.120 -0.046 0.000 0.250 533 V C 2.482 178.350 176.094 -0.378 0.000 1.060 533 V CA 2.404 64.429 62.300 -0.459 0.000 1.042 533 V CB -1.008 30.722 31.823 -0.156 0.000 0.650 533 V HN 0.406 nan 8.190 nan 0.000 0.450 534 K N 0.458 120.693 120.400 -0.275 0.000 2.034 534 K HA -0.286 4.006 4.320 -0.046 0.000 0.214 534 K C 2.166 178.636 176.600 -0.218 0.000 1.051 534 K CA 2.095 58.274 56.287 -0.181 0.000 0.931 534 K CB -0.565 31.873 32.500 -0.103 0.000 0.715 534 K HN 0.413 nan 8.250 nan 0.000 0.446 535 A N 0.923 123.527 122.820 -0.359 0.000 1.849 535 A HA -0.210 4.082 4.320 -0.046 0.000 0.217 535 A C 2.425 179.858 177.584 -0.252 0.000 1.202 535 A CA 2.704 54.567 52.037 -0.289 0.000 0.629 535 A CB -1.554 17.155 19.000 -0.485 0.000 0.834 535 A HN 0.585 nan 8.150 nan 0.000 0.447 536 A N -0.953 121.573 122.820 -0.489 0.000 1.935 536 A HA -0.335 3.957 4.320 -0.046 0.000 0.224 536 A C 2.483 179.997 177.584 -0.118 0.000 1.324 536 A CA 3.114 54.915 52.037 -0.394 0.000 0.686 536 A CB -1.455 17.217 19.000 -0.546 0.000 0.837 536 A HN 0.672 nan 8.150 nan 0.000 0.481 537 S N -0.887 114.740 115.700 -0.122 0.000 2.363 537 S HA -0.228 4.214 4.470 -0.046 0.000 0.218 537 S C 1.876 176.487 174.600 0.017 0.000 1.035 537 S CA 1.674 59.849 58.200 -0.041 0.000 1.043 537 S CB -0.549 62.615 63.200 -0.060 0.000 0.986 537 S HN 0.679 nan 8.310 nan 0.000 0.423 538 E N -0.068 120.135 120.200 0.005 0.000 2.136 538 E HA -0.271 4.051 4.350 -0.046 0.000 0.208 538 E C 1.813 178.446 176.600 0.055 0.000 1.035 538 E CA 1.840 58.255 56.400 0.025 0.000 0.838 538 E CB -0.507 29.213 29.700 0.032 0.000 0.748 538 E HN 0.671 nan 8.360 nan 0.000 0.459 539 F N 2.251 122.166 119.950 -0.059 0.000 2.031 539 F HA -0.261 4.238 4.527 -0.046 0.000 0.295 539 F C 2.733 178.509 175.800 -0.041 0.000 1.133 539 F CA 2.108 60.081 58.000 -0.044 0.000 1.188 539 F CB -0.579 38.394 39.000 -0.044 0.000 0.974 539 F HN -0.084 nan 8.300 nan 0.000 0.473 540 Q N 1.383 121.388 119.800 0.341 0.000 2.142 540 Q HA -0.304 4.008 4.340 -0.046 0.000 0.213 540 Q C 2.012 177.978 176.000 -0.057 0.000 1.004 540 Q CA 2.810 58.704 55.803 0.151 0.000 0.883 540 Q CB -0.449 28.361 28.738 0.119 0.000 0.939 540 Q HN 0.599 nan 8.270 nan 0.000 0.413 541 K N -0.039 120.334 120.400 -0.045 0.000 1.965 541 K HA -0.124 4.168 4.320 -0.046 0.000 0.214 541 K C 2.469 178.997 176.600 -0.121 0.000 1.046 541 K CA 1.098 57.346 56.287 -0.066 0.000 0.944 541 K CB -0.394 32.082 32.500 -0.039 0.000 0.726 541 K HN 0.180 nan 8.250 nan 0.000 0.441 542 R N 1.213 121.627 120.500 -0.144 0.000 2.168 542 R HA -0.180 4.133 4.340 -0.046 0.000 0.242 542 R C 0.993 177.145 176.300 -0.246 0.000 1.123 542 R CA 1.503 57.495 56.100 -0.179 0.000 0.928 542 R CB -0.401 29.784 30.300 -0.192 0.000 0.873 542 R HN 0.174 nan 8.270 nan 0.000 0.434 543 Q N 0.153 119.694 119.800 -0.433 0.000 2.737 543 Q HA 0.215 4.527 4.340 -0.046 0.000 0.224 543 Q C -0.850 175.020 176.000 -0.217 0.000 1.325 543 Q CA 0.751 56.304 55.803 -0.417 0.000 0.868 543 Q CB 0.117 28.425 28.738 -0.717 0.000 1.711 543 Q HN 0.415 nan 8.270 nan 0.000 0.540 544 A N 0.000 122.731 122.820 -0.149 0.000 2.254 544 A HA 0.000 4.292 4.320 -0.046 0.000 0.244 544 A CA 0.000 51.983 52.037 -0.091 0.000 0.836 544 A CB 0.000 18.957 19.000 -0.072 0.000 0.831 544 A HN 0.000 nan 8.150 nan 0.000 0.486