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 3d3i_1_B DATA FIRST_RESID 2 DATA SEQUENCE ADNYKNVINR TGAPQYXKDY DYDDHQRFNP FFDLGAWHGH LLPDGPNTXG DATA SEQUENCE GFPGVALLTE EYINFXASNF DRLTVWQDGK KVDFTLEAYS IPGALVQKLT DATA SEQUENCE AKDVQVEXTL RFATPRTSLL ETKITSNKPL DLVWDGELLE KLEAKEGKPL DATA SEQUENCE SDKTIAGEYP DYQRKISATR DGLKVTFGKV RATWDLLTSG ESEYQVHKSL DATA SEQUENCE PVQTEINGNR FTSKAHINGS TTLYTTYSHL LTAQEVSKEQ XQIRDILARP DATA SEQUENCE AFYLTASQQR WEEYLKKGLT NPDATPEQTR VAVKAIETLN GNWRSPGGAV DATA SEQUENCE KFNTVTPSVT GRWFSGNQTW PWDTWKQAFA XAHFNPDIAK ENIRAVFSWQ DATA SEQUENCE IQPGDSVRPQ DVGFVPDLIA WNLSPERGGD GGNWNERNTK PSLAAWSVXE DATA SEQUENCE VYNVTQDKTW VAEXYPKLVA YHDWWLRNRD HNGNGVPEYG ATRDKAHNTE DATA SEQUENCE SGEXLFTVKK GDKEETQSGL NNYARVVEKG QYDSLEIPAQ VAASWESGRD DATA SEQUENCE DAAVFGFIDK EQLDKYVANG GKRSDWTVKF AENRSQDGTL LGYSLLQESV DATA SEQUENCE DQASYXYSDN HYLAEXATIL GKPEEAKRYR QLAQQLADYI NTcXFDPTTQ DATA SEQUENCE FYYDVRIEDK PLANGcAGKP IVERGKGPEG WSPLFNGAAT QANADAVVKV DATA SEQUENCE XLDPKEFNTF VPLGTAALTN PAFGADIYWR GRVWVDQFWF GLKGXERYGY DATA SEQUENCE RDDALKLADT FFRHAKGLTA DGPIQENYNP LTGAQQGAPN FSWSAAHLYX DATA SEQUENCE LYNDFFRK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.676 177.584 0.154 0.000 1.274 2 A CA 0.000 52.187 52.037 0.249 0.000 0.836 2 A CB 0.000 19.107 19.000 0.178 0.000 0.831 3 D N 1.351 121.787 120.400 0.060 0.000 2.351 3 D HA -0.083 4.559 4.640 0.004 0.000 0.216 3 D C 0.818 177.038 176.300 -0.134 0.000 0.968 3 D CA 0.777 54.764 54.000 -0.023 0.000 0.899 3 D CB -0.094 40.693 40.800 -0.021 0.000 0.907 3 D HN 0.478 nan 8.370 nan 0.000 0.514 4 N N 0.009 118.573 118.700 -0.227 0.000 2.515 4 N HA -0.094 4.648 4.740 0.004 0.000 0.185 4 N C -0.264 174.791 175.510 -0.758 0.000 1.109 4 N CA 0.375 53.111 53.050 -0.524 0.000 0.903 4 N CB 0.208 38.268 38.487 -0.713 0.000 0.969 4 N HN 0.313 nan 8.380 nan 0.000 0.450 5 Y N 0.851 121.142 120.300 -0.015 0.000 2.658 5 Y HA 0.348 4.900 4.550 0.004 0.000 0.362 5 Y C -0.108 175.776 175.900 -0.026 0.000 1.017 5 Y CA -0.737 57.357 58.100 -0.009 0.000 1.134 5 Y CB 0.362 38.831 38.460 0.016 0.000 1.144 5 Y HN -0.376 nan 8.280 nan 0.000 0.655 6 K N 2.064 122.468 120.400 0.006 0.000 2.234 6 K HA 0.210 4.532 4.320 0.004 0.000 0.282 6 K C 0.005 176.631 176.600 0.043 0.000 1.039 6 K CA -0.572 55.703 56.287 -0.021 0.000 0.928 6 K CB 0.543 32.905 32.500 -0.230 0.000 1.039 6 K HN 0.481 nan 8.250 nan 0.000 0.470 7 N N 1.193 119.946 118.700 0.089 0.000 2.725 7 N HA -0.166 4.576 4.740 0.004 0.000 0.251 7 N C 0.660 176.222 175.510 0.087 0.000 1.031 7 N CA 0.354 53.460 53.050 0.093 0.000 0.720 7 N CB -1.490 37.052 38.487 0.092 0.000 0.930 7 N HN 0.324 nan 8.380 nan 0.000 0.543 8 V N -0.580 119.390 119.914 0.093 0.000 2.490 8 V HA -0.068 4.054 4.120 0.004 0.000 0.250 8 V C 1.370 177.518 176.094 0.089 0.000 1.061 8 V CA 1.493 63.852 62.300 0.098 0.000 1.064 8 V CB -0.026 31.855 31.823 0.096 0.000 0.670 8 V HN 0.399 nan 8.190 nan 0.000 0.461 9 I N 0.149 120.774 120.570 0.093 0.000 2.545 9 I HA 0.308 4.480 4.170 0.004 0.000 0.292 9 I C -0.234 175.948 176.117 0.110 0.000 1.040 9 I CA -0.611 60.750 61.300 0.102 0.000 1.068 9 I CB 1.731 39.801 38.000 0.117 0.000 1.251 9 I HN -0.008 nan 8.210 nan 0.000 0.424 10 N N 5.630 124.397 118.700 0.111 0.000 2.406 10 N HA 0.098 4.840 4.740 0.004 0.000 0.265 10 N C 0.131 175.735 175.510 0.156 0.000 1.203 10 N CA 0.420 53.543 53.050 0.122 0.000 0.945 10 N CB 0.488 39.043 38.487 0.114 0.000 1.165 10 N HN 0.517 nan 8.380 nan 0.000 0.485 11 R N 1.236 121.828 120.500 0.155 0.000 2.552 11 R HA 0.083 4.425 4.340 0.004 0.000 0.314 11 R C 0.232 176.632 176.300 0.166 0.000 1.041 11 R CA -0.215 55.995 56.100 0.184 0.000 1.076 11 R CB 0.169 30.574 30.300 0.175 0.000 1.290 11 R HN 0.570 nan 8.270 nan 0.000 0.563 12 T N -1.753 112.887 114.554 0.144 0.000 2.899 12 T HA 0.706 5.058 4.350 0.004 0.000 0.284 12 T C 0.525 175.247 174.700 0.037 0.000 1.004 12 T CA -0.390 61.760 62.100 0.083 0.000 1.043 12 T CB 2.092 71.003 68.868 0.072 0.000 1.013 12 T HN 0.240 nan 8.240 nan 0.000 0.518 13 G N -0.804 107.897 108.800 -0.165 0.000 2.368 13 G HA2 0.576 4.538 3.960 0.004 0.000 0.303 13 G HA3 0.576 4.538 3.960 0.004 0.000 0.303 13 G C -1.182 173.301 174.900 -0.694 0.000 1.590 13 G CA -0.430 44.295 45.100 -0.625 0.000 0.938 13 G HN 1.302 nan 8.290 nan 0.000 0.675 14 A N 1.755 124.115 122.820 -0.768 0.000 3.082 14 A HA 0.797 5.119 4.320 0.004 0.000 0.328 14 A C -2.535 174.756 177.584 -0.488 0.000 1.089 14 A CA -1.270 50.477 52.037 -0.484 0.000 0.802 14 A CB 0.892 19.749 19.000 -0.239 0.000 1.138 14 A HN 0.421 nan 8.150 nan 0.000 0.474 15 P HA 0.095 nan 4.420 nan 0.000 0.266 15 P C 0.210 177.378 177.300 -0.221 0.000 1.195 15 P CA 0.406 63.246 63.100 -0.434 0.000 0.768 15 P CB 0.704 31.782 31.700 -1.037 0.000 0.838 16 Q N 0.946 120.698 119.800 -0.079 0.000 2.164 16 Q HA 0.207 4.549 4.340 0.004 0.000 0.226 16 Q C -0.359 175.325 176.000 -0.527 0.000 0.813 16 Q CA 0.329 55.961 55.803 -0.285 0.000 0.978 16 Q CB 0.508 29.041 28.738 -0.341 0.000 1.149 16 Q HN 0.564 nan 8.270 nan 0.000 0.489 20 D N 2.530 122.945 120.400 0.025 0.000 2.564 20 D HA 0.103 4.745 4.640 0.004 0.000 0.226 20 D C -0.576 175.808 176.300 0.140 0.000 1.149 20 D CA -0.146 53.925 54.000 0.120 0.000 0.994 20 D CB 0.190 41.200 40.800 0.351 0.000 1.029 20 D HN 0.199 nan 8.370 nan 0.000 0.517 21 Y N 1.145 121.414 120.300 -0.052 0.000 2.300 21 Y HA 0.171 4.723 4.550 0.003 0.000 0.328 21 Y C 1.198 176.978 175.900 -0.201 0.000 1.270 21 Y CA -1.316 56.716 58.100 -0.114 0.000 1.352 21 Y CB 0.409 38.787 38.460 -0.137 0.000 1.286 21 Y HN 0.261 nan 8.280 nan 0.000 0.536 22 D N -1.183 119.198 120.400 -0.032 0.000 2.506 22 D HA 0.067 4.709 4.640 0.004 0.000 0.272 22 D C 0.479 176.680 176.300 -0.166 0.000 1.214 22 D CA -0.363 53.524 54.000 -0.189 0.000 1.067 22 D CB -0.022 40.706 40.800 -0.120 0.000 1.117 22 D HN 0.389 nan 8.370 nan 0.000 0.578 23 Y N -0.537 119.729 120.300 -0.057 0.000 2.298 23 Y HA -0.085 4.467 4.550 0.003 0.000 0.287 23 Y C 1.108 176.938 175.900 -0.117 0.000 1.164 23 Y CA 1.330 59.389 58.100 -0.070 0.000 1.229 23 Y CB -0.319 38.108 38.460 -0.054 0.000 0.977 23 Y HN 0.363 nan 8.280 nan 0.000 0.538 24 D N -0.339 120.037 120.400 -0.040 0.000 2.427 24 D HA 0.030 4.672 4.640 0.004 0.000 0.224 24 D C -0.220 175.679 176.300 -0.667 0.000 1.157 24 D CA 0.347 54.202 54.000 -0.243 0.000 0.828 24 D CB -0.016 40.707 40.800 -0.128 0.000 0.974 24 D HN 0.274 nan 8.370 nan 0.000 0.498 25 D N 0.742 120.812 120.400 -0.551 0.000 3.068 25 D HA -0.149 4.493 4.640 0.004 0.000 0.218 25 D C 0.006 175.464 176.300 -1.405 0.000 1.145 25 D CA 0.827 54.261 54.000 -0.943 0.000 0.896 25 D CB -1.344 38.972 40.800 -0.807 0.000 1.105 25 D HN 0.490 nan 8.370 nan 0.000 0.423 26 H N 0.512 119.255 119.070 -0.545 0.000 2.472 26 H HA 0.271 4.829 4.556 0.003 0.000 0.335 26 H C 1.144 176.403 175.328 -0.115 0.000 1.136 26 H CA -0.227 55.594 56.048 -0.377 0.000 1.264 26 H CB 0.816 30.458 29.762 -0.199 0.000 1.486 26 H HN -0.059 nan 8.280 nan 0.000 0.517 27 Q N 2.091 121.993 119.800 0.170 0.000 2.263 27 Q HA -0.034 4.308 4.340 0.004 0.000 0.289 27 Q C 1.270 177.377 176.000 0.178 0.000 1.061 27 Q CA 0.135 56.130 55.803 0.320 0.000 0.927 27 Q CB 0.824 29.738 28.738 0.294 0.000 1.154 27 Q HN 0.691 nan 8.270 nan 0.000 0.378 28 R N 1.177 121.685 120.500 0.014 0.000 2.323 28 R HA 0.096 4.438 4.340 0.004 0.000 0.198 28 R C -0.371 175.664 176.300 -0.442 0.000 0.988 28 R CA 0.436 56.365 56.100 -0.284 0.000 1.041 28 R CB 0.140 30.141 30.300 -0.498 0.000 0.926 28 R HN 0.165 nan 8.270 nan 0.000 0.476 29 F N 0.485 120.584 119.950 0.249 0.000 2.575 29 F HA 0.403 4.932 4.527 0.003 0.000 0.330 29 F C 0.145 176.105 175.800 0.265 0.000 1.056 29 F CA -1.575 56.564 58.000 0.232 0.000 0.964 29 F CB 1.268 40.408 39.000 0.235 0.000 1.258 29 F HN -0.125 nan 8.300 nan 0.000 0.484 30 N N 2.160 121.119 118.700 0.432 0.000 2.898 30 N HA 0.293 5.035 4.740 0.004 0.000 0.245 30 N C -2.929 172.790 175.510 0.349 0.000 1.185 30 N CA -1.314 51.940 53.050 0.339 0.000 0.879 30 N CB 0.971 39.608 38.487 0.250 0.000 1.157 30 N HN 0.114 nan 8.380 nan 0.000 0.503 31 P HA 0.076 nan 4.420 nan 0.000 0.269 31 P C -0.366 177.076 177.300 0.237 0.000 1.215 31 P CA -0.233 63.014 63.100 0.245 0.000 0.780 31 P CB 0.423 32.176 31.700 0.089 0.000 0.898 32 F N 3.692 123.635 119.950 -0.011 0.000 2.411 32 F HA 0.517 5.046 4.527 0.004 0.000 0.355 32 F C -1.246 174.487 175.800 -0.112 0.000 1.117 32 F CA -0.660 57.371 58.000 0.052 0.000 1.139 32 F CB -0.277 38.781 39.000 0.097 0.000 1.120 32 F HN 0.120 nan 8.300 nan 0.000 0.493 33 F N 4.359 123.963 119.950 -0.577 0.000 2.563 33 F HA 0.492 5.021 4.527 0.004 0.000 0.316 33 F C -0.407 174.663 175.800 -1.216 0.000 1.076 33 F CA -0.744 56.677 58.000 -0.967 0.000 0.921 33 F CB 1.970 40.631 39.000 -0.565 0.000 1.209 33 F HN 0.438 nan 8.300 nan 0.000 0.462 34 D N 0.509 119.979 120.400 -1.549 0.000 2.622 34 D HA 0.410 5.052 4.640 0.004 0.000 0.255 34 D C -0.248 175.489 176.300 -0.938 0.000 1.246 34 D CA -0.403 53.080 54.000 -0.862 0.000 0.795 34 D CB 1.605 42.217 40.800 -0.314 0.000 1.369 34 D HN 0.359 nan 8.370 nan 0.000 0.425 35 L N 1.806 122.551 121.223 -0.796 0.000 4.367 35 L HA -0.120 4.222 4.340 0.004 0.000 0.424 35 L C 1.156 177.301 176.870 -1.208 0.000 1.152 35 L CA 2.207 56.525 54.840 -0.870 0.000 0.974 35 L CB -1.506 40.469 42.059 -0.139 0.000 2.012 35 L HN 1.091 nan 8.230 nan 0.000 0.922 36 G N -2.349 105.413 108.800 -1.729 0.000 2.143 36 G HA2 -0.008 3.954 3.960 0.004 0.000 0.248 36 G HA3 -0.008 3.954 3.960 0.004 0.000 0.248 36 G C 0.709 175.292 174.900 -0.528 0.000 0.991 36 G CA 0.681 45.044 45.100 -1.228 0.000 0.689 36 G HN 1.731 nan 8.290 nan 0.000 0.522 37 A N -1.152 121.381 122.820 -0.479 0.000 2.429 37 A HA 0.515 4.837 4.320 0.004 0.000 0.242 37 A C 0.532 178.072 177.584 -0.073 0.000 1.088 37 A CA 0.781 52.760 52.037 -0.097 0.000 0.784 37 A CB 0.306 19.214 19.000 -0.152 0.000 1.038 37 A HN 0.811 nan 8.150 nan 0.000 0.501 38 W N 0.736 122.146 121.300 0.183 0.000 3.015 38 W HA 0.270 4.932 4.660 0.004 0.000 0.429 38 W C 0.488 177.324 176.519 0.529 0.000 0.976 38 W CA 0.300 57.822 57.345 0.296 0.000 2.086 38 W CB 0.095 29.700 29.460 0.241 0.000 1.125 38 W HN 0.796 nan 8.180 nan 0.000 0.721 39 H N -2.066 117.306 119.070 0.504 0.000 3.046 39 H HA 0.787 5.345 4.556 0.003 0.000 0.361 39 H C -0.534 174.719 175.328 -0.124 0.000 1.235 39 H CA -0.909 55.303 56.048 0.272 0.000 1.146 39 H CB 1.323 31.246 29.762 0.268 0.000 1.859 39 H HN -0.053 nan 8.280 nan 0.000 0.548 40 G N 0.731 109.106 108.800 -0.708 0.000 2.730 40 G HA2 0.490 4.452 3.960 0.004 0.000 0.289 40 G HA3 0.490 4.452 3.960 0.004 0.000 0.289 40 G C -1.523 172.903 174.900 -0.790 0.000 1.341 40 G CA -0.655 43.630 45.100 -1.358 0.000 0.932 40 G HN 0.714 nan 8.290 nan 0.000 0.481 41 H N -0.829 118.147 119.070 -0.157 0.000 2.895 41 H HA 0.563 5.121 4.556 0.004 0.000 0.373 41 H C -0.757 174.651 175.328 0.134 0.000 1.174 41 H CA -0.356 55.729 56.048 0.061 0.000 1.144 41 H CB 2.293 32.116 29.762 0.102 0.000 1.793 41 H HN 0.231 nan 8.280 nan 0.000 0.551 42 L N 1.232 122.634 121.223 0.298 0.000 2.286 42 L HA 0.454 4.796 4.340 0.004 0.000 0.265 42 L C -0.179 176.859 176.870 0.280 0.000 1.012 42 L CA -0.981 53.995 54.840 0.227 0.000 0.818 42 L CB 1.781 43.892 42.059 0.087 0.000 1.337 42 L HN 0.189 nan 8.230 nan 0.000 0.438 43 L N 2.244 123.589 121.223 0.204 0.000 2.357 43 L HA 0.443 4.785 4.340 0.004 0.000 0.273 43 L C -2.135 174.761 176.870 0.043 0.000 1.080 43 L CA -1.775 53.182 54.840 0.195 0.000 0.803 43 L CB 1.353 43.499 42.059 0.145 0.000 1.174 43 L HN 0.288 nan 8.230 nan 0.000 0.443 44 P HA 0.013 nan 4.420 nan 0.000 0.271 44 P C -0.909 176.356 177.300 -0.059 0.000 1.218 44 P CA -0.125 62.918 63.100 -0.096 0.000 0.780 44 P CB 0.841 32.438 31.700 -0.171 0.000 0.901 45 D N 0.887 121.250 120.400 -0.061 0.000 2.431 45 D HA 0.274 4.916 4.640 0.004 0.000 0.213 45 D C 0.731 177.013 176.300 -0.030 0.000 1.130 45 D CA -0.357 53.624 54.000 -0.032 0.000 0.834 45 D CB 0.442 41.224 40.800 -0.030 0.000 0.985 45 D HN 0.547 nan 8.370 nan 0.000 0.504 46 G N 0.322 109.095 108.800 -0.045 0.000 2.317 46 G HA2 0.216 4.178 3.960 0.004 0.000 0.293 46 G HA3 0.216 4.178 3.960 0.004 0.000 0.293 46 G C -2.435 172.436 174.900 -0.049 0.000 1.287 46 G CA -0.675 44.402 45.100 -0.038 0.000 0.850 46 G HN -0.227 nan 8.290 nan 0.000 0.515 47 P HA -0.039 nan 4.420 nan 0.000 0.218 47 P C 1.357 178.626 177.300 -0.051 0.000 1.148 47 P CA 1.311 64.385 63.100 -0.043 0.000 0.822 47 P CB 0.003 31.681 31.700 -0.037 0.000 0.784 48 N N -1.367 117.302 118.700 -0.051 0.000 2.396 48 N HA -0.030 4.712 4.740 0.004 0.000 0.180 48 N C 0.646 176.116 175.510 -0.066 0.000 1.028 48 N CA 0.750 53.768 53.050 -0.055 0.000 0.893 48 N CB -0.016 38.440 38.487 -0.051 0.000 0.967 48 N HN 0.329 nan 8.380 nan 0.000 0.440 52 G N -0.564 108.071 108.800 -0.274 0.000 2.682 52 G HA2 0.552 4.514 3.960 0.004 0.000 0.290 52 G HA3 0.552 4.514 3.960 0.004 0.000 0.290 52 G C -1.823 172.813 174.900 -0.439 0.000 1.425 52 G CA -0.901 44.061 45.100 -0.230 0.000 0.807 52 G HN 0.142 nan 8.290 nan 0.000 0.482 53 F N 2.416 122.396 119.950 0.049 0.000 2.325 53 F HA 0.399 4.928 4.527 0.004 0.000 0.369 53 F C -1.535 174.303 175.800 0.064 0.000 1.095 53 F CA -1.807 56.217 58.000 0.040 0.000 1.082 53 F CB 1.917 40.935 39.000 0.029 0.000 1.289 53 F HN 0.141 nan 8.300 nan 0.000 0.462 54 P HA 0.209 nan 4.420 nan 0.000 0.275 54 P C 0.358 177.681 177.300 0.037 0.000 1.266 54 P CA -0.059 63.067 63.100 0.043 0.000 0.793 54 P CB 0.969 32.628 31.700 -0.068 0.000 1.074 55 G N -0.841 107.928 108.800 -0.051 0.000 2.324 55 G HA2 -0.172 3.791 3.960 0.004 0.000 0.292 55 G HA3 -0.172 3.791 3.960 0.004 0.000 0.292 55 G C -0.051 174.962 174.900 0.189 0.000 1.079 55 G CA -0.237 44.825 45.100 -0.063 0.000 1.026 55 G HN 0.469 nan 8.290 nan 0.000 0.506 56 V N 0.338 120.299 119.914 0.080 0.000 2.475 56 V HA 0.359 4.481 4.120 0.004 0.000 0.292 56 V C 1.135 177.233 176.094 0.006 0.000 1.003 56 V CA 0.823 63.083 62.300 -0.066 0.000 1.120 56 V CB 0.599 32.197 31.823 -0.375 0.000 0.937 56 V HN 1.350 nan 8.190 nan 0.000 0.476 57 A N 7.617 130.405 122.820 -0.053 0.000 2.260 57 A HA 0.738 5.060 4.320 0.004 0.000 0.314 57 A C -0.509 177.012 177.584 -0.105 0.000 1.257 57 A CA -0.557 51.402 52.037 -0.130 0.000 0.871 57 A CB 0.362 19.281 19.000 -0.136 0.000 1.166 57 A HN 0.798 nan 8.150 nan 0.000 0.522 58 L N 3.254 124.368 121.223 -0.181 0.000 2.295 58 L HA 0.382 4.724 4.340 0.004 0.000 0.285 58 L C -0.470 176.392 176.870 -0.013 0.000 1.035 58 L CA -0.428 54.284 54.840 -0.214 0.000 0.806 58 L CB 1.444 43.178 42.059 -0.543 0.000 1.214 58 L HN 0.578 nan 8.230 nan 0.000 0.426 59 L N 3.486 124.843 121.223 0.223 0.000 2.288 59 L HA 0.192 4.534 4.340 0.004 0.000 0.283 59 L C 0.558 177.628 176.870 0.333 0.000 1.072 59 L CA -0.367 54.615 54.840 0.237 0.000 0.862 59 L CB 0.589 42.765 42.059 0.196 0.000 1.245 59 L HN 0.659 nan 8.230 nan 0.000 0.432 60 T N -0.966 113.665 114.554 0.128 0.000 3.781 60 T HA 0.218 4.570 4.350 0.004 0.000 0.286 60 T C 0.723 175.370 174.700 -0.088 0.000 1.277 60 T CA -0.421 61.684 62.100 0.010 0.000 1.136 60 T CB 0.124 68.945 68.868 -0.080 0.000 1.202 60 T HN 0.751 nan 8.240 nan 0.000 0.884 61 E N 1.271 121.344 120.200 -0.211 0.000 4.609 61 E HA -0.328 4.024 4.350 0.004 0.000 0.178 61 E C 0.836 177.468 176.600 0.053 0.000 1.274 61 E CA 2.239 58.386 56.400 -0.422 0.000 2.344 61 E CB -1.079 28.129 29.700 -0.819 0.000 1.833 61 E HN 0.814 nan 8.360 nan 0.000 0.404 62 E N -1.385 118.752 120.200 -0.105 0.000 2.702 62 E HA 0.211 4.564 4.350 0.004 0.000 0.225 62 E C -0.876 175.285 176.600 -0.731 0.000 0.942 62 E CA -0.054 56.144 56.400 -0.335 0.000 1.210 62 E CB 0.884 30.318 29.700 -0.444 0.000 1.143 62 E HN 0.167 nan 8.360 nan 0.000 0.544 63 Y N -0.036 120.285 120.300 0.036 0.000 2.588 63 Y HA 0.387 4.939 4.550 0.003 0.000 0.343 63 Y C -0.541 175.329 175.900 -0.050 0.000 1.065 63 Y CA -1.280 56.808 58.100 -0.019 0.000 1.038 63 Y CB 1.413 39.843 38.460 -0.051 0.000 1.297 63 Y HN -0.094 nan 8.280 nan 0.000 0.467 64 I N 3.395 124.018 120.570 0.088 0.000 2.336 64 I HA 0.431 4.604 4.170 0.004 0.000 0.292 64 I C -1.419 174.652 176.117 -0.077 0.000 0.991 64 I CA -0.336 60.947 61.300 -0.029 0.000 1.227 64 I CB 0.395 38.349 38.000 -0.078 0.000 1.366 64 I HN 0.732 nan 8.210 nan 0.000 0.466 65 N N 6.903 125.514 118.700 -0.148 0.000 2.310 65 N HA 0.371 5.114 4.740 0.004 0.000 0.292 65 N C -0.792 174.599 175.510 -0.199 0.000 1.049 65 N CA -0.302 52.658 53.050 -0.149 0.000 0.849 65 N CB 1.863 40.291 38.487 -0.098 0.000 1.532 65 N HN 0.290 nan 8.380 nan 0.000 0.479 69 S N -0.102 115.580 115.700 -0.029 0.000 2.339 69 S HA 0.169 4.641 4.470 0.004 0.000 0.189 69 S C 0.686 175.281 174.600 -0.008 0.000 0.966 69 S CA 0.685 58.833 58.200 -0.086 0.000 0.925 69 S CB -0.376 62.754 63.200 -0.115 0.000 0.890 69 S HN 0.724 nan 8.310 nan 0.000 0.539 70 N N 0.099 118.806 118.700 0.012 0.000 2.488 70 N HA 0.406 5.149 4.740 0.004 0.000 0.274 70 N C -1.533 174.079 175.510 0.170 0.000 1.111 70 N CA 0.047 53.122 53.050 0.041 0.000 0.974 70 N CB 0.685 39.155 38.487 -0.027 0.000 1.089 70 N HN 0.279 nan 8.380 nan 0.000 0.465 71 F N 1.983 121.949 119.950 0.027 0.000 2.991 71 F HA 0.142 4.671 4.527 0.004 0.000 0.355 71 F C -0.730 175.205 175.800 0.224 0.000 1.262 71 F CA -0.553 57.525 58.000 0.130 0.000 1.127 71 F CB 0.853 39.926 39.000 0.122 0.000 1.447 71 F HN 0.497 nan 8.300 nan 0.000 0.584 72 D N 2.897 123.322 120.400 0.042 0.000 2.873 72 D HA -0.226 4.416 4.640 0.004 0.000 0.228 72 D C -0.150 176.361 176.300 0.352 0.000 1.122 72 D CA 0.741 54.928 54.000 0.313 0.000 0.758 72 D CB -0.404 40.616 40.800 0.367 0.000 1.094 72 D HN 0.723 nan 8.370 nan 0.000 0.434 73 R N 0.617 121.223 120.500 0.176 0.000 2.298 73 R HA 0.418 4.760 4.340 0.004 0.000 0.310 73 R C -0.324 176.044 176.300 0.113 0.000 1.068 73 R CA -0.606 55.559 56.100 0.109 0.000 0.957 73 R CB 0.478 30.776 30.300 -0.003 0.000 1.003 73 R HN 0.249 nan 8.270 nan 0.000 0.454 74 L N 4.449 125.705 121.223 0.054 0.000 2.326 74 L HA 0.390 4.732 4.340 0.004 0.000 0.278 74 L C -0.720 176.059 176.870 -0.152 0.000 1.092 74 L CA 0.360 55.082 54.840 -0.196 0.000 0.810 74 L CB 1.665 43.604 42.059 -0.201 0.000 1.153 74 L HN 0.849 nan 8.230 nan 0.000 0.439 75 T N 2.103 116.568 114.554 -0.148 0.000 2.900 75 T HA 0.759 5.112 4.350 0.004 0.000 0.295 75 T C -0.741 173.968 174.700 0.015 0.000 1.044 75 T CA -0.790 61.303 62.100 -0.012 0.000 0.995 75 T CB 1.492 70.427 68.868 0.112 0.000 1.072 75 T HN 0.396 nan 8.240 nan 0.000 0.473 76 V N 2.035 121.925 119.914 -0.039 0.000 2.555 76 V HA 0.675 4.797 4.120 0.004 0.000 0.302 76 V C -1.226 174.715 176.094 -0.254 0.000 1.038 76 V CA -0.848 61.456 62.300 0.005 0.000 0.887 76 V CB 1.418 33.322 31.823 0.136 0.000 0.991 76 V HN 0.958 nan 8.190 nan 0.000 0.434 77 W N 2.734 123.973 121.300 -0.101 0.000 2.819 77 W HA 0.758 5.420 4.660 0.004 0.000 0.337 77 W C -0.452 176.021 176.519 -0.076 0.000 1.077 77 W CA -0.786 56.503 57.345 -0.093 0.000 1.226 77 W CB 1.717 31.130 29.460 -0.078 0.000 1.419 77 W HN 0.554 nan 8.180 nan 0.000 0.502 78 Q N 0.521 120.385 119.800 0.106 0.000 2.304 78 Q HA 0.473 4.815 4.340 0.004 0.000 0.270 78 Q C -0.508 175.533 176.000 0.068 0.000 1.035 78 Q CA -0.787 55.050 55.803 0.057 0.000 0.781 78 Q CB 1.881 30.609 28.738 -0.017 0.000 1.261 78 Q HN 0.523 nan 8.270 nan 0.000 0.444 79 D N 2.533 122.978 120.400 0.074 0.000 2.751 79 D HA -0.201 4.441 4.640 0.004 0.000 0.233 79 D C 0.854 177.203 176.300 0.080 0.000 1.149 79 D CA 2.481 56.517 54.000 0.060 0.000 0.682 79 D CB -1.106 39.713 40.800 0.031 0.000 1.068 79 D HN 1.500 nan 8.370 nan 0.000 0.429 80 G N -0.575 108.304 108.800 0.132 0.000 2.184 80 G HA2 -0.383 3.579 3.960 0.004 0.000 0.264 80 G HA3 -0.383 3.579 3.960 0.004 0.000 0.264 80 G C 0.330 175.414 174.900 0.307 0.000 0.975 80 G CA 0.691 45.893 45.100 0.171 0.000 0.642 80 G HN 0.711 nan 8.290 nan 0.000 0.536 81 K N 0.497 121.033 120.400 0.226 0.000 2.221 81 K HA 0.541 4.863 4.320 0.004 0.000 0.258 81 K C 0.255 176.776 176.600 -0.132 0.000 0.944 81 K CA -0.899 55.448 56.287 0.101 0.000 0.823 81 K CB 0.909 33.400 32.500 -0.015 0.000 1.113 81 K HN 0.106 nan 8.250 nan 0.000 0.431 82 K N 2.991 123.040 120.400 -0.586 0.000 2.368 82 K HA 0.090 4.412 4.320 0.004 0.000 0.282 82 K C -0.647 175.542 176.600 -0.685 0.000 1.035 82 K CA -0.461 55.126 56.287 -1.166 0.000 0.973 82 K CB 0.765 32.370 32.500 -1.492 0.000 0.957 82 K HN 0.321 nan 8.250 nan 0.000 0.474 83 V N 3.830 123.323 119.914 -0.702 0.000 2.637 83 V HA -0.033 4.089 4.120 0.004 0.000 0.296 83 V C 0.033 175.635 176.094 -0.821 0.000 1.046 83 V CA -0.118 61.751 62.300 -0.718 0.000 1.066 83 V CB 1.190 32.486 31.823 -0.878 0.000 0.968 83 V HN 0.822 nan 8.190 nan 0.000 0.483 84 D N 3.752 123.763 120.400 -0.648 0.000 2.396 84 D HA 0.403 5.045 4.640 0.004 0.000 0.225 84 D C -0.704 175.337 176.300 -0.432 0.000 1.121 84 D CA -0.174 53.554 54.000 -0.453 0.000 0.853 84 D CB 0.235 40.871 40.800 -0.274 0.000 1.043 84 D HN 0.211 nan 8.370 nan 0.000 0.500 85 F N 1.400 121.267 119.950 -0.137 0.000 2.403 85 F HA 0.425 4.955 4.527 0.004 0.000 0.326 85 F C 1.113 176.858 175.800 -0.092 0.000 1.081 85 F CA -0.833 57.101 58.000 -0.112 0.000 1.041 85 F CB 1.598 40.525 39.000 -0.121 0.000 1.234 85 F HN 0.137 nan 8.300 nan 0.000 0.503 86 T N 0.702 115.350 114.554 0.156 0.000 2.859 86 T HA 0.674 5.026 4.350 0.004 0.000 0.281 86 T C -0.988 173.733 174.700 0.036 0.000 1.005 86 T CA -0.780 61.356 62.100 0.059 0.000 1.025 86 T CB 1.645 70.534 68.868 0.034 0.000 0.977 86 T HN 0.508 nan 8.240 nan 0.000 0.458 87 L N 1.143 122.367 121.223 0.002 0.000 2.331 87 L HA 0.738 5.080 4.340 0.004 0.000 0.275 87 L C -0.346 176.515 176.870 -0.015 0.000 1.022 87 L CA -0.464 54.356 54.840 -0.032 0.000 0.812 87 L CB 1.493 43.521 42.059 -0.052 0.000 1.257 87 L HN 0.977 nan 8.230 nan 0.000 0.435 88 E N 3.730 123.916 120.200 -0.024 0.000 2.281 88 E HA 0.720 5.072 4.350 0.004 0.000 0.266 88 E C -2.011 174.586 176.600 -0.005 0.000 0.893 88 E CA -0.674 55.742 56.400 0.026 0.000 0.798 88 E CB 1.529 31.267 29.700 0.062 0.000 1.245 88 E HN 0.888 nan 8.360 nan 0.000 0.410 89 A N 3.820 126.656 122.820 0.028 0.000 2.422 89 A HA 0.769 5.091 4.320 0.004 0.000 0.302 89 A C -1.777 175.859 177.584 0.087 0.000 1.041 89 A CA -0.629 51.385 52.037 -0.037 0.000 0.708 89 A CB 0.783 19.757 19.000 -0.043 0.000 1.257 89 A HN 0.633 nan 8.150 nan 0.000 0.414 90 Y N -0.588 119.737 120.300 0.041 0.000 2.624 90 Y HA 0.758 5.311 4.550 0.004 0.000 0.334 90 Y C -0.271 175.627 175.900 -0.002 0.000 1.155 90 Y CA -0.774 57.339 58.100 0.021 0.000 1.046 90 Y CB 0.648 39.112 38.460 0.006 0.000 1.316 90 Y HN 0.953 nan 8.280 nan 0.000 0.457 91 S N 2.694 118.520 115.700 0.210 0.000 2.638 91 S HA 0.924 5.397 4.470 0.004 0.000 0.298 91 S C -0.586 174.072 174.600 0.096 0.000 1.111 91 S CA -0.448 57.773 58.200 0.034 0.000 1.027 91 S CB 1.558 64.738 63.200 -0.033 0.000 1.064 91 S HN 1.172 nan 8.310 nan 0.000 0.525 92 I N -3.140 117.388 120.570 -0.071 0.000 3.095 92 I HA 0.620 4.792 4.170 0.004 0.000 0.310 92 I C -3.266 172.696 176.117 -0.259 0.000 1.196 92 I CA -3.374 57.898 61.300 -0.047 0.000 0.985 92 I CB 1.854 39.870 38.000 0.027 0.000 1.250 92 I HN 0.281 nan 8.210 nan 0.000 0.446 93 P HA 0.170 nan 4.420 nan 0.000 0.260 93 P C 0.694 177.311 177.300 -1.139 0.000 1.207 93 P CA 1.117 63.935 63.100 -0.470 0.000 0.780 93 P CB 0.392 32.108 31.700 0.028 0.000 0.789 94 G N 2.183 109.907 108.800 -1.793 0.000 2.176 94 G HA2 0.037 4.000 3.960 0.004 0.000 0.232 94 G HA3 0.037 4.000 3.960 0.004 0.000 0.232 94 G C 0.112 174.592 174.900 -0.699 0.000 0.986 94 G CA -0.080 43.962 45.100 -1.763 0.000 0.643 94 G HN 0.895 nan 8.290 nan 0.000 0.522 95 A N -0.880 121.381 122.820 -0.931 0.000 2.597 95 A HA 0.777 5.099 4.320 0.004 0.000 0.292 95 A C -1.156 176.000 177.584 -0.713 0.000 1.057 95 A CA -0.529 51.087 52.037 -0.702 0.000 0.674 95 A CB 0.927 19.761 19.000 -0.277 0.000 1.278 95 A HN 0.878 nan 8.150 nan 0.000 0.416 96 L N 0.930 121.829 121.223 -0.540 0.000 2.346 96 L HA 0.779 5.121 4.340 0.004 0.000 0.276 96 L C -0.945 175.755 176.870 -0.284 0.000 1.006 96 L CA -1.041 53.560 54.840 -0.399 0.000 0.817 96 L CB 1.863 43.644 42.059 -0.463 0.000 1.272 96 L HN 0.503 nan 8.230 nan 0.000 0.421 97 V N 2.356 122.137 119.914 -0.222 0.000 2.841 97 V HA 0.499 4.621 4.120 0.004 0.000 0.310 97 V C -0.876 175.068 176.094 -0.249 0.000 1.090 97 V CA -0.592 61.547 62.300 -0.269 0.000 0.930 97 V CB 2.180 33.609 31.823 -0.657 0.000 1.014 97 V HN 0.891 nan 8.190 nan 0.000 0.425 98 Q N 2.695 122.427 119.800 -0.113 0.000 2.309 98 Q HA 0.703 5.046 4.340 0.004 0.000 0.273 98 Q C -1.799 174.098 176.000 -0.172 0.000 1.040 98 Q CA -1.076 54.615 55.803 -0.187 0.000 0.834 98 Q CB 2.842 31.417 28.738 -0.272 0.000 1.345 98 Q HN 0.628 nan 8.270 nan 0.000 0.414 99 K N 3.104 123.413 120.400 -0.152 0.000 2.376 99 K HA 0.534 4.856 4.320 0.004 0.000 0.257 99 K C -1.040 175.464 176.600 -0.159 0.000 0.939 99 K CA -0.532 55.677 56.287 -0.129 0.000 0.809 99 K CB 1.856 34.326 32.500 -0.051 0.000 1.121 99 K HN 0.528 nan 8.250 nan 0.000 0.425 100 L N 2.619 123.686 121.223 -0.259 0.000 2.296 100 L HA 0.441 4.783 4.340 0.004 0.000 0.286 100 L C -0.360 176.415 176.870 -0.159 0.000 1.023 100 L CA -0.687 53.938 54.840 -0.359 0.000 0.812 100 L CB 1.743 43.221 42.059 -0.969 0.000 1.223 100 L HN 0.587 nan 8.230 nan 0.000 0.421 101 T N 2.268 116.872 114.554 0.083 0.000 2.807 101 T HA 0.783 5.135 4.350 0.004 0.000 0.279 101 T C -0.211 174.655 174.700 0.276 0.000 0.993 101 T CA -0.483 61.715 62.100 0.164 0.000 0.970 101 T CB 2.068 70.978 68.868 0.069 0.000 0.950 101 T HN 0.726 nan 8.240 nan 0.000 0.441 102 A N 2.194 125.149 122.820 0.225 0.000 2.564 102 A HA 0.789 5.111 4.320 0.004 0.000 0.288 102 A C 1.019 178.604 177.584 0.001 0.000 1.164 102 A CA -0.708 51.347 52.037 0.030 0.000 0.712 102 A CB 1.285 20.158 19.000 -0.213 0.000 1.303 102 A HN 0.633 nan 8.150 nan 0.000 0.418 103 K N 0.080 120.447 120.400 -0.055 0.000 1.985 103 K HA -0.108 4.214 4.320 0.004 0.000 0.210 103 K C 0.651 177.235 176.600 -0.025 0.000 1.047 103 K CA 2.796 59.060 56.287 -0.039 0.000 0.932 103 K CB -0.082 32.384 32.500 -0.056 0.000 0.716 103 K HN 0.641 nan 8.250 nan 0.000 0.439 104 D N -0.724 119.651 120.400 -0.041 0.000 2.366 104 D HA 0.083 4.725 4.640 0.004 0.000 0.205 104 D C -0.300 176.001 176.300 0.001 0.000 1.022 104 D CA 0.201 54.186 54.000 -0.024 0.000 0.868 104 D CB 0.797 41.574 40.800 -0.039 0.000 0.953 104 D HN -0.011 nan 8.370 nan 0.000 0.514 105 V N 0.979 120.908 119.914 0.025 0.000 2.735 105 V HA 0.392 4.514 4.120 0.004 0.000 0.310 105 V C -0.755 175.476 176.094 0.228 0.000 1.061 105 V CA -0.761 61.604 62.300 0.108 0.000 0.913 105 V CB 2.297 34.200 31.823 0.132 0.000 1.005 105 V HN -0.171 nan 8.190 nan 0.000 0.428 106 Q N 1.975 121.859 119.800 0.139 0.000 2.389 106 Q HA 0.817 5.159 4.340 0.004 0.000 0.277 106 Q C -1.444 174.525 176.000 -0.051 0.000 1.082 106 Q CA -0.546 55.297 55.803 0.067 0.000 0.810 106 Q CB 2.898 31.653 28.738 0.029 0.000 1.374 106 Q HN 0.549 nan 8.270 nan 0.000 0.422 107 V N 0.735 120.536 119.914 -0.189 0.000 2.638 107 V HA 0.577 4.699 4.120 0.004 0.000 0.306 107 V C -0.617 175.372 176.094 -0.176 0.000 1.052 107 V CA -0.709 61.463 62.300 -0.213 0.000 0.885 107 V CB 1.965 33.571 31.823 -0.363 0.000 0.999 107 V HN 0.784 nan 8.190 nan 0.000 0.424 111 L N 3.726 124.811 121.223 -0.230 0.000 2.325 111 L HA 0.812 5.154 4.340 0.004 0.000 0.281 111 L C -0.399 176.412 176.870 -0.098 0.000 1.004 111 L CA -0.056 54.612 54.840 -0.286 0.000 0.823 111 L CB 0.959 42.584 42.059 -0.722 0.000 1.236 111 L HN 0.639 nan 8.230 nan 0.000 0.415 112 R N 3.180 123.681 120.500 0.003 0.000 2.855 112 R HA 0.570 4.912 4.340 0.004 0.000 0.266 112 R C -1.440 174.926 176.300 0.110 0.000 1.034 112 R CA -0.788 55.438 56.100 0.209 0.000 0.944 112 R CB 1.746 32.167 30.300 0.203 0.000 1.219 112 R HN 0.353 nan 8.270 nan 0.000 0.474 113 F N -0.026 120.068 119.950 0.240 0.000 2.399 113 F HA 0.390 4.919 4.527 0.004 0.000 0.334 113 F C 0.890 176.804 175.800 0.190 0.000 1.097 113 F CA -0.005 58.089 58.000 0.157 0.000 1.076 113 F CB 1.878 40.911 39.000 0.055 0.000 1.162 113 F HN 0.680 nan 8.300 nan 0.000 0.495 114 A N 1.257 124.233 122.820 0.259 0.000 2.055 114 A HA 0.293 4.615 4.320 0.004 0.000 0.205 114 A C 0.666 178.407 177.584 0.262 0.000 1.235 114 A CA 0.993 53.170 52.037 0.235 0.000 0.822 114 A CB -0.092 18.864 19.000 -0.074 0.000 0.903 114 A HN 0.693 nan 8.150 nan 0.000 0.473 115 T N -5.448 109.241 114.554 0.226 0.000 2.787 115 T HA 0.512 4.864 4.350 0.004 0.000 0.297 115 T C -2.960 171.874 174.700 0.222 0.000 1.221 115 T CA -1.264 60.961 62.100 0.208 0.000 1.006 115 T CB 1.272 70.223 68.868 0.139 0.000 1.328 115 T HN -0.167 nan 8.240 nan 0.000 0.509 116 P HA 0.200 nan 4.420 nan 0.000 0.239 116 P C 0.716 178.178 177.300 0.270 0.000 1.184 116 P CA 0.329 63.529 63.100 0.166 0.000 0.760 116 P CB 0.110 31.912 31.700 0.169 0.000 0.884 117 R N -2.938 117.736 120.500 0.290 0.000 2.526 117 R HA 0.268 4.610 4.340 0.004 0.000 0.346 117 R C -0.169 176.402 176.300 0.451 0.000 0.926 117 R CA 0.369 56.686 56.100 0.363 0.000 1.147 117 R CB 0.515 30.945 30.300 0.216 0.000 1.629 117 R HN 0.049 nan 8.270 nan 0.000 0.516 118 T N 1.009 115.800 114.554 0.396 0.000 2.921 118 T HA 0.342 4.694 4.350 0.004 0.000 0.297 118 T C -0.403 174.422 174.700 0.209 0.000 1.013 118 T CA -0.546 61.744 62.100 0.316 0.000 0.990 118 T CB 2.494 71.412 68.868 0.085 0.000 1.023 118 T HN 0.078 nan 8.240 nan 0.000 0.447 119 S N 2.337 118.105 115.700 0.114 0.000 2.593 119 S HA 0.833 5.305 4.470 0.004 0.000 0.297 119 S C -0.829 173.672 174.600 -0.165 0.000 1.112 119 S CA -0.952 57.064 58.200 -0.306 0.000 1.043 119 S CB 1.442 64.271 63.200 -0.619 0.000 1.054 119 S HN 0.558 nan 8.310 nan 0.000 0.516 120 L N 2.112 123.226 121.223 -0.182 0.000 2.333 120 L HA 0.744 5.086 4.340 0.004 0.000 0.280 120 L C -1.367 175.429 176.870 -0.122 0.000 1.004 120 L CA -0.941 53.816 54.840 -0.138 0.000 0.820 120 L CB 1.568 43.597 42.059 -0.050 0.000 1.247 120 L HN 0.823 nan 8.230 nan 0.000 0.416 121 L N 4.525 125.653 121.223 -0.158 0.000 2.305 121 L HA 0.543 4.885 4.340 0.004 0.000 0.284 121 L C -0.539 176.318 176.870 -0.021 0.000 1.013 121 L CA 0.010 54.795 54.840 -0.091 0.000 0.819 121 L CB 1.423 43.413 42.059 -0.114 0.000 1.227 121 L HN 0.796 nan 8.230 nan 0.000 0.417 122 E N 3.113 123.316 120.200 0.004 0.000 2.134 122 E HA 0.346 4.698 4.350 0.004 0.000 0.278 122 E C -1.169 175.354 176.600 -0.128 0.000 0.959 122 E CA -0.431 55.899 56.400 -0.117 0.000 0.783 122 E CB 0.947 30.663 29.700 0.027 0.000 1.095 122 E HN 0.689 nan 8.360 nan 0.000 0.399 123 T N 5.492 119.917 114.554 -0.214 0.000 2.947 123 T HA 0.189 4.542 4.350 0.004 0.000 0.337 123 T C -0.331 174.285 174.700 -0.140 0.000 1.139 123 T CA -0.495 61.546 62.100 -0.098 0.000 0.992 123 T CB 0.459 69.331 68.868 0.007 0.000 1.043 123 T HN 0.307 nan 8.240 nan 0.000 0.498 124 K N 4.589 124.923 120.400 -0.109 0.000 2.267 124 K HA 0.447 4.770 4.320 0.004 0.000 0.282 124 K C -0.656 175.903 176.600 -0.068 0.000 1.078 124 K CA -0.440 55.792 56.287 -0.091 0.000 0.903 124 K CB 0.318 32.780 32.500 -0.063 0.000 1.111 124 K HN 0.556 nan 8.250 nan 0.000 0.475 125 I N 3.471 124.008 120.570 -0.054 0.000 2.354 125 I HA 0.183 4.355 4.170 0.004 0.000 0.292 125 I C -0.259 175.846 176.117 -0.021 0.000 0.989 125 I CA -0.700 60.577 61.300 -0.038 0.000 1.188 125 I CB 2.094 40.077 38.000 -0.028 0.000 1.342 125 I HN 0.470 nan 8.210 nan 0.000 0.457 126 T N 4.315 118.863 114.554 -0.011 0.000 2.772 126 T HA 0.435 4.787 4.350 0.004 0.000 0.288 126 T C -0.409 174.296 174.700 0.010 0.000 0.994 126 T CA -0.499 61.600 62.100 -0.001 0.000 0.951 126 T CB 1.049 69.919 68.868 0.002 0.000 0.933 126 T HN 0.575 nan 8.240 nan 0.000 0.447 127 S N 2.335 118.037 115.700 0.003 0.000 2.566 127 S HA 0.273 4.745 4.470 0.004 0.000 0.273 127 S C 0.630 175.229 174.600 -0.002 0.000 1.157 127 S CA -0.899 57.303 58.200 0.002 0.000 0.938 127 S CB 0.776 63.974 63.200 -0.003 0.000 1.087 127 S HN 0.713 nan 8.310 nan 0.000 0.474 128 N N 3.384 122.083 118.700 -0.002 0.000 2.467 128 N HA 0.091 4.833 4.740 0.004 0.000 0.184 128 N C -0.095 175.415 175.510 -0.001 0.000 1.106 128 N CA 0.126 53.176 53.050 -0.001 0.000 0.892 128 N CB 0.096 38.583 38.487 -0.001 0.000 0.969 128 N HN 0.496 nan 8.380 nan 0.000 0.454 129 K N 0.067 120.464 120.400 -0.004 0.000 2.509 129 K HA 0.488 4.810 4.320 0.004 0.000 0.266 129 K C -2.956 173.636 176.600 -0.013 0.000 0.987 129 K CA -1.944 54.342 56.287 -0.001 0.000 0.868 129 K CB 2.074 34.575 32.500 0.002 0.000 1.421 129 K HN -0.204 nan 8.250 nan 0.000 0.444 130 P HA 0.164 nan 4.420 nan 0.000 0.270 130 P C -0.988 176.261 177.300 -0.086 0.000 1.223 130 P CA 0.049 63.114 63.100 -0.059 0.000 0.785 130 P CB 0.508 32.240 31.700 0.054 0.000 0.923 131 L N 1.059 122.149 121.223 -0.221 0.000 2.409 131 L HA 0.483 4.825 4.340 0.004 0.000 0.255 131 L C -0.665 176.097 176.870 -0.181 0.000 1.027 131 L CA -0.830 53.935 54.840 -0.125 0.000 0.834 131 L CB 2.276 44.292 42.059 -0.070 0.000 1.426 131 L HN 0.178 nan 8.230 nan 0.000 0.411 132 D N 2.216 122.618 120.400 0.003 0.000 2.278 132 D HA 0.591 5.233 4.640 0.004 0.000 0.245 132 D C -0.872 175.438 176.300 0.017 0.000 1.052 132 D CA -0.204 53.820 54.000 0.039 0.000 0.834 132 D CB 2.458 43.314 40.800 0.094 0.000 1.194 132 D HN 0.208 nan 8.370 nan 0.000 0.481 133 L N 1.237 122.399 121.223 -0.101 0.000 2.325 133 L HA 0.650 4.992 4.340 0.004 0.000 0.278 133 L C -0.327 176.292 176.870 -0.418 0.000 1.023 133 L CA -1.049 53.588 54.840 -0.338 0.000 0.811 133 L CB 1.981 43.671 42.059 -0.614 0.000 1.249 133 L HN -0.043 nan 8.230 nan 0.000 0.431 134 V N 0.778 120.403 119.914 -0.482 0.000 2.686 134 V HA 0.471 4.593 4.120 0.004 0.000 0.306 134 V C -1.068 174.823 176.094 -0.338 0.000 1.065 134 V CA -0.586 61.554 62.300 -0.267 0.000 0.894 134 V CB 2.384 34.148 31.823 -0.099 0.000 1.004 134 V HN 0.607 nan 8.190 nan 0.000 0.424 135 W N 3.448 124.790 121.300 0.070 0.000 2.702 135 W HA 0.600 5.262 4.660 0.004 0.000 0.331 135 W C -0.663 175.804 176.519 -0.087 0.000 1.049 135 W CA -0.491 56.888 57.345 0.057 0.000 1.230 135 W CB 2.297 31.853 29.460 0.161 0.000 1.408 135 W HN 0.748 nan 8.180 nan 0.000 0.492 136 D N 0.507 120.842 120.400 -0.108 0.000 2.523 136 D HA 0.756 5.398 4.640 0.004 0.000 0.236 136 D C -0.565 175.157 176.300 -0.964 0.000 1.094 136 D CA -0.506 53.122 54.000 -0.620 0.000 0.942 136 D CB 2.702 43.311 40.800 -0.317 0.000 1.447 136 D HN 0.426 nan 8.370 nan 0.000 0.479 137 G N -0.548 107.440 108.800 -1.354 0.000 2.673 137 G HA2 0.480 4.442 3.960 0.004 0.000 0.292 137 G HA3 0.480 4.442 3.960 0.004 0.000 0.292 137 G C -1.886 172.831 174.900 -0.305 0.000 1.450 137 G CA -0.757 43.864 45.100 -0.798 0.000 0.837 137 G HN 0.601 nan 8.290 nan 0.000 0.505 138 E N 0.479 120.735 120.200 0.094 0.000 2.311 138 E HA 0.375 4.727 4.350 0.004 0.000 0.281 138 E C -0.668 176.050 176.600 0.197 0.000 0.905 138 E CA -0.662 55.813 56.400 0.124 0.000 0.778 138 E CB 1.760 31.466 29.700 0.009 0.000 1.240 138 E HN 0.469 nan 8.360 nan 0.000 0.410 139 L N 4.195 125.528 121.223 0.182 0.000 2.439 139 L HA 0.276 4.618 4.340 0.004 0.000 0.269 139 L C 0.541 177.442 176.870 0.052 0.000 1.179 139 L CA -0.400 54.501 54.840 0.102 0.000 0.828 139 L CB 0.223 42.328 42.059 0.076 0.000 1.106 139 L HN 0.490 nan 8.230 nan 0.000 0.467 140 L N 1.785 123.028 121.223 0.034 0.000 2.473 140 L HA 0.026 4.368 4.340 0.004 0.000 0.268 140 L C 1.240 178.124 176.870 0.024 0.000 1.215 140 L CA 0.481 55.325 54.840 0.007 0.000 0.823 140 L CB 0.469 42.538 42.059 0.018 0.000 1.099 140 L HN 0.775 nan 8.230 nan 0.000 0.483 141 E N 0.741 120.933 120.200 -0.013 0.000 2.367 141 E HA 0.084 4.436 4.350 0.004 0.000 0.204 141 E C 0.006 176.614 176.600 0.013 0.000 0.840 141 E CA -0.156 56.249 56.400 0.009 0.000 1.051 141 E CB 0.599 30.291 29.700 -0.013 0.000 1.051 141 E HN 0.495 nan 8.360 nan 0.000 0.509 142 K N 1.431 121.800 120.400 -0.051 0.000 2.298 142 K HA 0.103 4.426 4.320 0.004 0.000 0.280 142 K C 0.785 177.461 176.600 0.128 0.000 1.032 142 K CA -0.331 55.955 56.287 -0.002 0.000 0.958 142 K CB 1.803 34.176 32.500 -0.211 0.000 0.978 142 K HN 0.050 nan 8.250 nan 0.000 0.472 143 L N 2.545 123.871 121.223 0.172 0.000 2.034 143 L HA -0.045 4.297 4.340 0.004 0.000 0.203 143 L C 0.292 177.235 176.870 0.121 0.000 1.074 143 L CA 1.582 56.506 54.840 0.140 0.000 0.748 143 L CB 0.056 42.150 42.059 0.058 0.000 0.905 143 L HN 0.792 nan 8.230 nan 0.000 0.439 144 E N -0.837 119.414 120.200 0.086 0.000 2.356 144 E HA 0.688 5.040 4.350 0.004 0.000 0.275 144 E C -1.390 174.958 176.600 -0.420 0.000 0.904 144 E CA -0.799 55.510 56.400 -0.152 0.000 0.757 144 E CB 1.983 31.587 29.700 -0.160 0.000 1.232 144 E HN 0.172 nan 8.360 nan 0.000 0.442 145 A N 2.080 124.550 122.820 -0.582 0.000 2.594 145 A HA 0.664 4.986 4.320 0.004 0.000 0.295 145 A C -1.551 175.825 177.584 -0.347 0.000 1.071 145 A CA -0.915 50.707 52.037 -0.691 0.000 0.685 145 A CB 2.148 20.309 19.000 -1.400 0.000 1.285 145 A HN 0.572 nan 8.150 nan 0.000 0.405 146 K N 1.243 121.497 120.400 -0.244 0.000 2.502 146 K HA 0.464 4.786 4.320 0.004 0.000 0.254 146 K C -0.667 175.804 176.600 -0.215 0.000 0.947 146 K CA -0.279 55.920 56.287 -0.147 0.000 0.834 146 K CB 0.713 33.188 32.500 -0.043 0.000 1.112 146 K HN 0.609 nan 8.250 nan 0.000 0.427 147 E N 2.684 122.698 120.200 -0.310 0.000 2.297 147 E HA -0.232 4.121 4.350 0.004 0.000 0.228 147 E C 0.481 176.956 176.600 -0.208 0.000 1.213 147 E CA 1.463 57.634 56.400 -0.381 0.000 0.712 147 E CB -1.505 27.784 29.700 -0.684 0.000 1.202 147 E HN 1.183 nan 8.360 nan 0.000 0.376 148 G N -0.770 107.933 108.800 -0.162 0.000 2.205 148 G HA2 -0.333 3.630 3.960 0.004 0.000 0.261 148 G HA3 -0.333 3.630 3.960 0.004 0.000 0.261 148 G C 0.127 174.986 174.900 -0.069 0.000 0.980 148 G CA 0.823 45.884 45.100 -0.064 0.000 0.632 148 G HN 0.170 nan 8.290 nan 0.000 0.533 149 K N 1.481 121.800 120.400 -0.135 0.000 2.206 149 K HA 0.477 4.799 4.320 0.004 0.000 0.264 149 K C -2.534 173.929 176.600 -0.227 0.000 0.967 149 K CA -2.308 53.913 56.287 -0.110 0.000 0.844 149 K CB 2.267 34.735 32.500 -0.054 0.000 1.099 149 K HN 0.172 nan 8.250 nan 0.000 0.441 150 P HA 0.064 nan 4.420 nan 0.000 0.265 150 P C 0.388 177.600 177.300 -0.145 0.000 1.193 150 P CA -0.037 62.917 63.100 -0.243 0.000 0.765 150 P CB 0.781 32.490 31.700 0.015 0.000 0.823 151 L N 1.386 122.512 121.223 -0.160 0.000 2.375 151 L HA 0.030 4.372 4.340 0.004 0.000 0.215 151 L C 1.339 178.184 176.870 -0.043 0.000 1.108 151 L CA 0.839 55.627 54.840 -0.085 0.000 0.830 151 L CB -0.167 41.840 42.059 -0.085 0.000 0.959 151 L HN 0.597 nan 8.230 nan 0.000 0.457 152 S N -2.301 113.380 115.700 -0.031 0.000 2.655 152 S HA 0.155 4.628 4.470 0.004 0.000 0.266 152 S C -0.917 173.698 174.600 0.026 0.000 1.149 152 S CA -0.431 57.767 58.200 -0.004 0.000 0.818 152 S CB 1.069 64.263 63.200 -0.009 0.000 1.130 152 S HN 0.118 nan 8.310 nan 0.000 0.476 153 D N -0.408 120.008 120.400 0.026 0.000 2.388 153 D HA 0.222 4.864 4.640 0.004 0.000 0.221 153 D C -0.055 176.264 176.300 0.032 0.000 1.133 153 D CA -0.388 53.636 54.000 0.041 0.000 0.831 153 D CB -0.175 40.642 40.800 0.028 0.000 0.962 153 D HN 0.481 nan 8.370 nan 0.000 0.502 154 K N 0.698 121.110 120.400 0.019 0.000 2.436 154 K HA 0.256 4.578 4.320 0.004 0.000 0.275 154 K C 0.554 177.165 176.600 0.019 0.000 0.999 154 K CA 0.168 56.454 56.287 -0.002 0.000 0.980 154 K CB 0.606 33.087 32.500 -0.033 0.000 0.919 154 K HN 0.261 nan 8.250 nan 0.000 0.484 155 T N -1.098 113.460 114.554 0.006 0.000 2.952 155 T HA 0.284 4.636 4.350 0.004 0.000 0.286 155 T C 1.459 176.180 174.700 0.036 0.000 1.024 155 T CA -1.013 61.105 62.100 0.031 0.000 1.029 155 T CB 0.768 69.656 68.868 0.032 0.000 1.094 155 T HN 0.248 nan 8.240 nan 0.000 0.515 156 I N 1.156 121.788 120.570 0.103 0.000 2.179 156 I HA -0.105 4.067 4.170 0.004 0.000 0.242 156 I C 2.964 179.218 176.117 0.227 0.000 1.088 156 I CA 1.938 63.363 61.300 0.209 0.000 1.357 156 I CB -2.028 36.143 38.000 0.285 0.000 1.051 156 I HN 0.901 nan 8.210 nan 0.000 0.409 157 A N 0.796 123.723 122.820 0.178 0.000 1.969 157 A HA -0.041 4.281 4.320 0.004 0.000 0.218 157 A C 2.485 180.120 177.584 0.085 0.000 1.169 157 A CA 1.691 53.826 52.037 0.164 0.000 0.635 157 A CB -1.228 17.841 19.000 0.116 0.000 0.810 157 A HN 0.447 nan 8.150 nan 0.000 0.445 158 G N -0.595 108.221 108.800 0.027 0.000 2.403 158 G HA2 -0.150 3.812 3.960 0.004 0.000 0.216 158 G HA3 -0.150 3.812 3.960 0.004 0.000 0.216 158 G C 1.454 176.299 174.900 -0.093 0.000 1.154 158 G CA 1.192 46.281 45.100 -0.018 0.000 0.784 158 G HN 0.569 nan 8.290 nan 0.000 0.538 159 E N -0.248 119.828 120.200 -0.206 0.000 2.112 159 E HA -0.004 4.348 4.350 0.004 0.000 0.190 159 E C -0.135 176.074 176.600 -0.652 0.000 0.979 159 E CA 0.471 56.566 56.400 -0.509 0.000 0.814 159 E CB -0.095 29.127 29.700 -0.798 0.000 0.762 159 E HN 0.467 nan 8.360 nan 0.000 0.460 160 Y N -0.818 119.496 120.300 0.023 0.000 2.787 160 Y HA 0.345 4.897 4.550 0.003 0.000 0.352 160 Y C -2.067 173.885 175.900 0.086 0.000 1.027 160 Y CA -2.789 55.322 58.100 0.019 0.000 1.219 160 Y CB 1.345 39.765 38.460 -0.068 0.000 1.110 160 Y HN 0.047 nan 8.280 nan 0.000 0.614 161 P HA -0.137 nan 4.420 nan 0.000 0.219 161 P C 0.719 178.111 177.300 0.154 0.000 1.146 161 P CA 1.601 64.778 63.100 0.128 0.000 0.808 161 P CB 0.466 32.211 31.700 0.075 0.000 0.779 162 D N -2.898 117.607 120.400 0.176 0.000 2.349 162 D HA -0.063 4.579 4.640 0.004 0.000 0.215 162 D C 1.530 177.977 176.300 0.245 0.000 1.016 162 D CA 0.262 54.362 54.000 0.166 0.000 0.870 162 D CB -0.501 40.374 40.800 0.126 0.000 0.917 162 D HN 0.128 nan 8.370 nan 0.000 0.524 163 Y N 1.855 122.233 120.300 0.131 0.000 2.165 163 Y HA -0.174 4.378 4.550 0.004 0.000 0.286 163 Y C 0.702 176.682 175.900 0.133 0.000 1.155 163 Y CA 1.032 59.216 58.100 0.140 0.000 1.164 163 Y CB -0.351 38.211 38.460 0.171 0.000 0.978 163 Y HN 0.044 nan 8.280 nan 0.000 0.513 164 Q N 1.313 121.228 119.800 0.192 0.000 2.417 164 Q HA -0.291 4.051 4.340 0.004 0.000 0.350 164 Q C -0.219 175.742 176.000 -0.066 0.000 1.364 164 Q CA 0.481 56.318 55.803 0.056 0.000 1.024 164 Q CB -1.234 27.539 28.738 0.058 0.000 1.235 164 Q HN 0.464 nan 8.270 nan 0.000 0.388 165 R N 1.253 121.655 120.500 -0.163 0.000 2.570 165 R HA 0.262 4.604 4.340 0.004 0.000 0.277 165 R C 0.237 176.406 176.300 -0.218 0.000 1.039 165 R CA 0.489 56.397 56.100 -0.319 0.000 1.065 165 R CB 0.614 30.713 30.300 -0.335 0.000 0.964 165 R HN 0.170 nan 8.270 nan 0.000 0.428 166 K N 2.583 122.816 120.400 -0.280 0.000 2.523 166 K HA 0.333 4.655 4.320 0.004 0.000 0.257 166 K C -1.532 174.967 176.600 -0.168 0.000 0.932 166 K CA -0.795 55.393 56.287 -0.165 0.000 0.812 166 K CB 1.239 33.666 32.500 -0.122 0.000 1.326 166 K HN 0.267 nan 8.250 nan 0.000 0.433 167 I N 2.119 122.643 120.570 -0.078 0.000 2.354 167 I HA 0.335 4.508 4.170 0.004 0.000 0.292 167 I C -0.572 175.511 176.117 -0.056 0.000 0.989 167 I CA -0.074 61.199 61.300 -0.044 0.000 1.188 167 I CB 1.859 39.890 38.000 0.052 0.000 1.342 167 I HN 0.434 nan 8.210 nan 0.000 0.457 168 S N 3.629 119.281 115.700 -0.080 0.000 2.526 168 S HA 0.852 5.324 4.470 0.004 0.000 0.293 168 S C -0.253 174.285 174.600 -0.103 0.000 1.092 168 S CA -0.789 57.364 58.200 -0.078 0.000 0.980 168 S CB 1.912 65.068 63.200 -0.074 0.000 1.048 168 S HN 0.745 nan 8.310 nan 0.000 0.483 169 A N 2.065 124.831 122.820 -0.091 0.000 2.351 169 A HA 0.730 5.052 4.320 0.004 0.000 0.257 169 A C 0.614 178.133 177.584 -0.107 0.000 1.087 169 A CA -0.238 51.734 52.037 -0.109 0.000 0.798 169 A CB 0.028 18.981 19.000 -0.078 0.000 1.033 169 A HN 0.877 nan 8.150 nan 0.000 0.488 170 T N -1.949 112.527 114.554 -0.131 0.000 2.831 170 T HA 0.478 4.830 4.350 0.004 0.000 0.287 170 T C 0.958 175.598 174.700 -0.100 0.000 1.070 170 T CA -0.248 61.780 62.100 -0.120 0.000 1.010 170 T CB 1.055 69.818 68.868 -0.176 0.000 1.264 170 T HN 0.752 nan 8.240 nan 0.000 0.532 171 R N 0.454 120.908 120.500 -0.076 0.000 2.237 171 R HA 0.045 4.387 4.340 0.004 0.000 0.219 171 R C 0.041 176.305 176.300 -0.058 0.000 1.080 171 R CA 1.535 57.604 56.100 -0.051 0.000 0.995 171 R CB -0.535 29.750 30.300 -0.025 0.000 0.875 171 R HN 0.737 nan 8.270 nan 0.000 0.462 172 D N -1.170 119.173 120.400 -0.094 0.000 2.785 172 D HA 0.276 4.918 4.640 0.004 0.000 0.324 172 D C 0.451 176.641 176.300 -0.184 0.000 1.523 172 D CA 0.070 54.012 54.000 -0.096 0.000 0.789 172 D CB 0.677 41.466 40.800 -0.018 0.000 1.171 172 D HN 0.285 nan 8.370 nan 0.000 0.447 173 G N 0.308 108.975 108.800 -0.223 0.000 2.451 173 G HA2 0.343 4.305 3.960 0.004 0.000 0.083 173 G HA3 0.343 4.305 3.960 0.004 0.000 0.083 173 G C -1.536 173.189 174.900 -0.293 0.000 1.107 173 G CA -0.192 44.736 45.100 -0.286 0.000 1.117 173 G HN 0.636 nan 8.290 nan 0.000 0.454 174 L N -1.917 119.107 121.223 -0.331 0.000 2.892 174 L HA 0.933 5.275 4.340 0.004 0.000 0.269 174 L C -1.464 175.272 176.870 -0.223 0.000 1.058 174 L CA -1.132 53.538 54.840 -0.284 0.000 0.923 174 L CB 2.050 43.880 42.059 -0.382 0.000 1.518 174 L HN 1.059 nan 8.230 nan 0.000 0.402 175 K N 0.125 120.438 120.400 -0.145 0.000 2.532 175 K HA 0.809 5.131 4.320 0.004 0.000 0.265 175 K C -1.894 174.671 176.600 -0.059 0.000 0.948 175 K CA -0.938 55.303 56.287 -0.077 0.000 0.842 175 K CB 2.610 35.057 32.500 -0.089 0.000 1.392 175 K HN 0.400 nan 8.250 nan 0.000 0.436 176 V N 1.660 121.545 119.914 -0.049 0.000 2.459 176 V HA 0.477 4.599 4.120 0.004 0.000 0.295 176 V C -0.323 175.477 176.094 -0.489 0.000 1.029 176 V CA -0.507 61.636 62.300 -0.261 0.000 0.874 176 V CB 1.500 33.153 31.823 -0.282 0.000 0.985 176 V HN 1.001 nan 8.190 nan 0.000 0.438 177 T N 1.383 115.587 114.554 -0.583 0.000 2.888 177 T HA 0.828 5.180 4.350 0.004 0.000 0.284 177 T C -0.944 173.299 174.700 -0.761 0.000 1.017 177 T CA -0.509 61.302 62.100 -0.482 0.000 1.022 177 T CB 1.477 70.228 68.868 -0.195 0.000 1.013 177 T HN 0.198 nan 8.240 nan 0.000 0.465 178 F N 0.098 120.025 119.950 -0.039 0.000 2.551 178 F HA 0.680 5.209 4.527 0.003 0.000 0.316 178 F C 0.936 176.758 175.800 0.037 0.000 1.089 178 F CA -0.941 57.021 58.000 -0.064 0.000 0.915 178 F CB 1.912 40.905 39.000 -0.012 0.000 1.186 178 F HN 0.997 nan 8.300 nan 0.000 0.456 179 G N 0.813 109.763 108.800 0.250 0.000 2.580 179 G HA2 0.289 4.251 3.960 0.004 0.000 0.278 179 G HA3 0.289 4.251 3.960 0.004 0.000 0.278 179 G C -1.020 174.014 174.900 0.222 0.000 1.212 179 G CA -0.810 44.407 45.100 0.196 0.000 0.939 179 G HN 0.633 nan 8.290 nan 0.000 0.513 180 K N -0.264 120.218 120.400 0.137 0.000 2.349 180 K HA 0.382 4.704 4.320 0.004 0.000 0.289 180 K C -0.993 175.646 176.600 0.065 0.000 1.064 180 K CA -0.259 56.081 56.287 0.089 0.000 0.947 180 K CB 0.519 33.054 32.500 0.058 0.000 1.007 180 K HN 0.101 nan 8.250 nan 0.000 0.478 181 V N 6.083 126.002 119.914 0.008 0.000 2.483 181 V HA 0.331 4.454 4.120 0.004 0.000 0.297 181 V C -0.254 175.778 176.094 -0.103 0.000 1.027 181 V CA -0.930 61.329 62.300 -0.067 0.000 0.855 181 V CB 1.582 33.261 31.823 -0.239 0.000 0.995 181 V HN 0.712 nan 8.190 nan 0.000 0.424 182 R N 3.426 123.886 120.500 -0.066 0.000 3.472 182 R HA 0.462 4.804 4.340 0.004 0.000 0.322 182 R C 0.288 176.535 176.300 -0.089 0.000 1.330 182 R CA -0.261 55.793 56.100 -0.076 0.000 1.387 182 R CB 0.995 31.266 30.300 -0.050 0.000 1.446 182 R HN 0.696 nan 8.270 nan 0.000 0.628 183 A N 0.859 123.610 122.820 -0.116 0.000 2.807 183 A HA 0.212 4.535 4.320 0.004 0.000 0.307 183 A C 1.196 178.689 177.584 -0.152 0.000 1.532 183 A CA -0.273 51.709 52.037 -0.092 0.000 1.215 183 A CB -0.129 18.834 19.000 -0.063 0.000 1.127 183 A HN 0.398 nan 8.150 nan 0.000 0.543 184 T N 1.228 115.623 114.554 -0.265 0.000 2.701 184 T HA -0.281 4.071 4.350 0.004 0.000 0.265 184 T C 0.820 175.298 174.700 -0.371 0.000 1.032 184 T CA 2.473 64.273 62.100 -0.501 0.000 1.158 184 T CB -0.338 67.915 68.868 -1.025 0.000 0.854 184 T HN 0.884 nan 8.240 nan 0.000 0.463 185 W N 0.566 121.933 121.300 0.111 0.000 3.123 185 W HA 0.374 5.036 4.660 0.003 0.000 0.383 185 W C 1.211 177.362 176.519 -0.613 0.000 1.102 185 W CA -0.753 56.638 57.345 0.076 0.000 1.865 185 W CB 0.606 30.242 29.460 0.293 0.000 1.111 185 W HN 0.199 nan 8.180 nan 0.000 0.621 186 D N -0.883 119.185 120.400 -0.553 0.000 2.412 186 D HA 0.127 4.769 4.640 0.004 0.000 0.298 186 D C -0.461 175.500 176.300 -0.565 0.000 1.136 186 D CA 0.255 53.887 54.000 -0.614 0.000 0.988 186 D CB 0.796 41.519 40.800 -0.130 0.000 1.712 186 D HN -0.121 nan 8.370 nan 0.000 0.503 187 L N 1.624 122.606 121.223 -0.401 0.000 2.562 187 L HA 0.442 4.784 4.340 0.004 0.000 0.266 187 L C -2.180 174.529 176.870 -0.268 0.000 0.949 187 L CA -0.383 54.224 54.840 -0.388 0.000 0.879 187 L CB 1.866 43.423 42.059 -0.836 0.000 1.278 187 L HN -0.138 nan 8.230 nan 0.000 0.404 188 L N 4.814 125.949 121.223 -0.147 0.000 2.372 188 L HA 0.812 5.154 4.340 0.004 0.000 0.274 188 L C -0.449 176.301 176.870 -0.199 0.000 0.988 188 L CA -0.345 54.407 54.840 -0.147 0.000 0.833 188 L CB 2.194 44.201 42.059 -0.087 0.000 1.236 188 L HN 0.777 nan 8.230 nan 0.000 0.410 189 T N -2.470 111.989 114.554 -0.159 0.000 2.896 189 T HA 0.297 4.650 4.350 0.004 0.000 0.297 189 T C 0.672 175.337 174.700 -0.058 0.000 1.108 189 T CA -0.134 61.898 62.100 -0.113 0.000 1.004 189 T CB 1.874 70.736 68.868 -0.010 0.000 1.159 189 T HN 0.475 nan 8.240 nan 0.000 0.499 190 S N 0.008 115.689 115.700 -0.033 0.000 2.501 190 S HA 0.408 4.880 4.470 0.004 0.000 0.220 190 S C 1.921 176.549 174.600 0.047 0.000 0.997 190 S CA 0.673 58.881 58.200 0.013 0.000 0.919 190 S CB -0.621 62.596 63.200 0.030 0.000 0.778 190 S HN 2.293 nan 8.310 nan 0.000 0.523 191 G N 0.755 109.602 108.800 0.078 0.000 2.176 191 G HA2 -0.178 3.784 3.960 0.004 0.000 0.232 191 G HA3 -0.178 3.784 3.960 0.004 0.000 0.232 191 G C 0.459 175.416 174.900 0.094 0.000 0.986 191 G CA 0.333 45.491 45.100 0.097 0.000 0.643 191 G HN 0.471 nan 8.290 nan 0.000 0.522 192 E N 0.264 120.518 120.200 0.090 0.000 2.676 192 E HA 0.176 4.528 4.350 0.004 0.000 0.222 192 E C 1.035 177.698 176.600 0.106 0.000 0.968 192 E CA 0.664 57.113 56.400 0.082 0.000 1.090 192 E CB 0.821 30.554 29.700 0.056 0.000 1.066 192 E HN 0.718 nan 8.360 nan 0.000 0.496 193 S N 0.775 116.567 115.700 0.154 0.000 2.592 193 S HA 0.426 4.898 4.470 0.004 0.000 0.271 193 S C 0.157 174.985 174.600 0.379 0.000 1.326 193 S CA -0.321 58.000 58.200 0.202 0.000 1.024 193 S CB 1.726 65.025 63.200 0.164 0.000 0.921 193 S HN 0.000 nan 8.310 nan 0.000 0.527 194 E N 0.155 120.580 120.200 0.375 0.000 2.413 194 E HA 0.321 4.673 4.350 0.004 0.000 0.277 194 E C -2.098 174.799 176.600 0.496 0.000 0.958 194 E CA -0.697 55.931 56.400 0.379 0.000 0.779 194 E CB 1.662 31.457 29.700 0.158 0.000 1.278 194 E HN 0.691 nan 8.360 nan 0.000 0.456 195 Y N 1.710 122.178 120.300 0.280 0.000 2.338 195 Y HA 0.263 4.815 4.550 0.003 0.000 0.328 195 Y C -1.025 174.937 175.900 0.103 0.000 0.965 195 Y CA -0.347 57.868 58.100 0.191 0.000 1.208 195 Y CB 1.080 39.615 38.460 0.124 0.000 1.132 195 Y HN 0.361 nan 8.280 nan 0.000 0.469 196 Q N 4.383 124.037 119.800 -0.244 0.000 2.266 196 Q HA 0.697 5.039 4.340 0.004 0.000 0.261 196 Q C -1.329 174.555 176.000 -0.192 0.000 0.985 196 Q CA -1.278 54.431 55.803 -0.156 0.000 0.873 196 Q CB 2.918 31.684 28.738 0.045 0.000 1.306 196 Q HN 0.457 nan 8.270 nan 0.000 0.447 197 V N 2.474 122.289 119.914 -0.166 0.000 2.443 197 V HA 0.300 4.422 4.120 0.004 0.000 0.293 197 V C -1.202 174.726 176.094 -0.276 0.000 1.021 197 V CA -0.782 61.468 62.300 -0.084 0.000 0.848 197 V CB 1.081 32.899 31.823 -0.008 0.000 0.998 197 V HN 0.711 nan 8.190 nan 0.000 0.424 198 H N 2.956 121.926 119.070 -0.167 0.000 2.495 198 H HA 0.693 5.251 4.556 0.003 0.000 0.348 198 H C -0.353 174.860 175.328 -0.192 0.000 1.113 198 H CA -0.589 55.363 56.048 -0.161 0.000 1.195 198 H CB 1.752 31.434 29.762 -0.132 0.000 1.521 198 H HN 0.508 nan 8.280 nan 0.000 0.509 199 K N 0.433 120.782 120.400 -0.085 0.000 2.395 199 K HA 0.261 4.583 4.320 0.004 0.000 0.247 199 K C 0.323 176.890 176.600 -0.054 0.000 0.973 199 K CA -0.687 55.522 56.287 -0.130 0.000 0.828 199 K CB 2.143 34.484 32.500 -0.266 0.000 1.272 199 K HN 0.675 nan 8.250 nan 0.000 0.439 200 S N 0.579 116.266 115.700 -0.023 0.000 2.603 200 S HA 0.059 4.531 4.470 0.004 0.000 0.220 200 S C 0.644 175.259 174.600 0.025 0.000 0.967 200 S CA -0.314 57.905 58.200 0.032 0.000 0.920 200 S CB -0.715 62.555 63.200 0.116 0.000 0.773 200 S HN 0.520 nan 8.310 nan 0.000 0.529 201 L N -2.309 118.912 121.223 -0.003 0.000 2.376 201 L HA 0.820 5.162 4.340 0.004 0.000 0.258 201 L C -3.401 173.471 176.870 0.005 0.000 1.013 201 L CA -2.654 52.200 54.840 0.022 0.000 0.822 201 L CB 0.897 42.992 42.059 0.060 0.000 1.388 201 L HN -0.287 nan 8.230 nan 0.000 0.413 202 P HA 0.276 nan 4.420 nan 0.000 0.271 202 P C -0.784 176.542 177.300 0.043 0.000 1.220 202 P CA -0.215 62.898 63.100 0.022 0.000 0.768 202 P CB 1.261 32.981 31.700 0.034 0.000 0.848 203 V N 0.429 120.353 119.914 0.016 0.000 3.001 203 V HA 0.582 4.704 4.120 0.004 0.000 0.314 203 V C -0.900 175.221 176.094 0.044 0.000 1.099 203 V CA -0.909 61.425 62.300 0.057 0.000 0.989 203 V CB 2.451 34.273 31.823 -0.003 0.000 1.040 203 V HN 0.178 nan 8.190 nan 0.000 0.434 204 Q N 1.642 121.491 119.800 0.082 0.000 2.347 204 Q HA 0.594 4.936 4.340 0.004 0.000 0.262 204 Q C -0.604 175.435 176.000 0.066 0.000 0.980 204 Q CA -0.019 55.817 55.803 0.054 0.000 0.867 204 Q CB 1.718 30.487 28.738 0.051 0.000 1.242 204 Q HN 0.982 nan 8.270 nan 0.000 0.453 205 T N 2.116 116.690 114.554 0.033 0.000 2.807 205 T HA 0.387 4.739 4.350 0.004 0.000 0.279 205 T C -0.501 174.224 174.700 0.043 0.000 0.993 205 T CA -0.630 61.498 62.100 0.047 0.000 0.970 205 T CB 1.593 70.450 68.868 -0.018 0.000 0.950 205 T HN 0.414 nan 8.240 nan 0.000 0.441 206 E N 3.509 123.755 120.200 0.078 0.000 2.165 206 E HA 0.401 4.753 4.350 0.004 0.000 0.266 206 E C -0.947 175.707 176.600 0.091 0.000 0.889 206 E CA -0.718 55.716 56.400 0.057 0.000 0.756 206 E CB 0.674 30.396 29.700 0.037 0.000 1.131 206 E HN 0.362 nan 8.360 nan 0.000 0.411 207 I N 3.824 124.433 120.570 0.064 0.000 2.377 207 I HA 0.261 4.434 4.170 0.004 0.000 0.293 207 I C -0.563 175.586 176.117 0.054 0.000 0.987 207 I CA -0.789 60.560 61.300 0.082 0.000 1.185 207 I CB 1.156 39.186 38.000 0.050 0.000 1.341 207 I HN 0.554 nan 8.210 nan 0.000 0.455 208 N N 4.580 123.316 118.700 0.060 0.000 2.804 208 N HA 0.495 5.237 4.740 0.004 0.000 0.251 208 N C 0.679 176.210 175.510 0.036 0.000 1.250 208 N CA 0.023 53.093 53.050 0.033 0.000 0.820 208 N CB 1.413 39.912 38.487 0.019 0.000 1.156 208 N HN 0.941 nan 8.380 nan 0.000 0.512 209 G N 1.813 110.632 108.800 0.031 0.000 2.565 209 G HA2 -0.394 3.568 3.960 0.004 0.000 0.295 209 G HA3 -0.394 3.568 3.960 0.004 0.000 0.295 209 G C 0.446 175.374 174.900 0.046 0.000 1.165 209 G CA -0.003 45.113 45.100 0.028 0.000 0.977 209 G HN 0.493 nan 8.290 nan 0.000 0.546 210 N N 2.378 121.107 118.700 0.049 0.000 2.313 210 N HA 0.173 4.915 4.740 0.004 0.000 0.207 210 N C 0.927 176.510 175.510 0.122 0.000 1.141 210 N CA 1.107 54.203 53.050 0.077 0.000 0.830 210 N CB -0.035 38.485 38.487 0.055 0.000 1.008 210 N HN 0.885 nan 8.380 nan 0.000 0.481 211 R N -0.318 120.246 120.500 0.106 0.000 2.837 211 R HA 0.617 4.959 4.340 0.004 0.000 0.271 211 R C -1.101 175.278 176.300 0.133 0.000 0.993 211 R CA -0.832 55.316 56.100 0.079 0.000 0.931 211 R CB 1.209 31.503 30.300 -0.010 0.000 1.206 211 R HN -0.094 nan 8.270 nan 0.000 0.474 212 F N -1.627 118.309 119.950 -0.024 0.000 2.662 212 F HA 0.739 5.268 4.527 0.004 0.000 0.312 212 F C -1.728 174.048 175.800 -0.040 0.000 1.113 212 F CA -0.835 57.141 58.000 -0.041 0.000 0.951 212 F CB 2.353 41.311 39.000 -0.070 0.000 1.344 212 F HN 0.502 nan 8.300 nan 0.000 0.462 213 T N 1.369 116.037 114.554 0.189 0.000 2.991 213 T HA 0.598 4.950 4.350 0.004 0.000 0.303 213 T C -1.249 173.620 174.700 0.281 0.000 1.015 213 T CA -0.733 61.428 62.100 0.101 0.000 1.007 213 T CB 1.520 70.388 68.868 0.001 0.000 1.034 213 T HN 0.727 nan 8.240 nan 0.000 0.446 214 S N 2.569 118.489 115.700 0.367 0.000 2.513 214 S HA 0.671 5.143 4.470 0.004 0.000 0.299 214 S C -0.601 174.220 174.600 0.369 0.000 1.087 214 S CA -1.031 57.384 58.200 0.357 0.000 1.012 214 S CB 1.600 65.037 63.200 0.397 0.000 1.044 214 S HN 0.528 nan 8.310 nan 0.000 0.485 215 K N 0.878 121.440 120.400 0.269 0.000 2.395 215 K HA 0.889 5.211 4.320 0.004 0.000 0.247 215 K C -1.117 175.645 176.600 0.270 0.000 0.973 215 K CA -0.901 55.505 56.287 0.198 0.000 0.828 215 K CB 2.212 34.742 32.500 0.050 0.000 1.272 215 K HN 0.687 nan 8.250 nan 0.000 0.439 216 A N 1.269 124.226 122.820 0.228 0.000 2.605 216 A HA 0.384 4.706 4.320 0.004 0.000 0.294 216 A C -2.030 175.657 177.584 0.172 0.000 1.062 216 A CA -0.658 51.527 52.037 0.247 0.000 0.682 216 A CB 1.394 20.648 19.000 0.423 0.000 1.278 216 A HN 0.772 nan 8.150 nan 0.000 0.410 217 H N 1.657 120.772 119.070 0.075 0.000 2.489 217 H HA 0.679 5.237 4.556 0.004 0.000 0.343 217 H C -1.366 173.995 175.328 0.055 0.000 1.086 217 H CA -0.367 55.709 56.048 0.046 0.000 1.198 217 H CB 1.296 31.075 29.762 0.028 0.000 1.490 217 H HN 0.791 nan 8.280 nan 0.000 0.504 218 I N 1.623 121.930 120.570 -0.439 0.000 2.846 218 I HA 0.359 4.531 4.170 0.004 0.000 0.307 218 I C 0.426 176.349 176.117 -0.323 0.000 1.053 218 I CA -0.828 60.337 61.300 -0.225 0.000 1.050 218 I CB 1.311 39.251 38.000 -0.100 0.000 1.239 218 I HN 0.396 nan 8.210 nan 0.000 0.439 219 N N 1.987 120.635 118.700 -0.087 0.000 2.424 219 N HA 0.325 5.067 4.740 0.004 0.000 0.178 219 N C 0.555 176.049 175.510 -0.028 0.000 1.060 219 N CA 0.846 53.883 53.050 -0.020 0.000 0.901 219 N CB 0.752 39.264 38.487 0.043 0.000 0.979 219 N HN 0.991 nan 8.380 nan 0.000 0.451 220 G N -0.623 108.153 108.800 -0.039 0.000 2.336 220 G HA2 0.056 4.018 3.960 0.004 0.000 0.286 220 G HA3 0.056 4.018 3.960 0.004 0.000 0.286 220 G C -1.414 173.476 174.900 -0.018 0.000 1.269 220 G CA -0.735 44.351 45.100 -0.024 0.000 0.873 220 G HN -0.036 nan 8.290 nan 0.000 0.494 221 S N -0.023 115.672 115.700 -0.009 0.000 2.702 221 S HA 0.462 4.935 4.470 0.004 0.000 0.314 221 S C 0.304 174.901 174.600 -0.005 0.000 1.244 221 S CA 1.332 59.528 58.200 -0.007 0.000 1.058 221 S CB 0.527 63.726 63.200 -0.002 0.000 0.783 221 S HN 1.124 nan 8.310 nan 0.000 0.503 222 T N 2.024 116.572 114.554 -0.011 0.000 2.775 222 T HA 0.456 4.809 4.350 0.004 0.000 0.320 222 T C -1.485 173.194 174.700 -0.035 0.000 1.597 222 T CA -0.589 61.506 62.100 -0.009 0.000 1.022 222 T CB 1.491 70.360 68.868 0.002 0.000 1.485 222 T HN 0.436 nan 8.240 nan 0.000 0.494 223 T N 3.436 117.959 114.554 -0.053 0.000 2.809 223 T HA 0.643 4.995 4.350 0.004 0.000 0.284 223 T C -0.525 174.020 174.700 -0.259 0.000 0.992 223 T CA -0.537 61.464 62.100 -0.165 0.000 0.957 223 T CB 0.480 69.251 68.868 -0.161 0.000 0.942 223 T HN 0.628 nan 8.240 nan 0.000 0.439 224 L N 0.837 121.868 121.223 -0.320 0.000 2.334 224 L HA 0.883 5.226 4.340 0.004 0.000 0.270 224 L C -1.273 175.249 176.870 -0.580 0.000 1.018 224 L CA -1.082 53.596 54.840 -0.270 0.000 0.811 224 L CB 0.556 42.587 42.059 -0.047 0.000 1.271 224 L HN 0.441 nan 8.230 nan 0.000 0.443 225 Y N -0.968 119.311 120.300 -0.035 0.000 2.425 225 Y HA 0.771 5.323 4.550 0.004 0.000 0.344 225 Y C -0.246 175.568 175.900 -0.143 0.000 0.969 225 Y CA -0.620 57.434 58.100 -0.076 0.000 1.052 225 Y CB 2.733 41.156 38.460 -0.062 0.000 1.215 225 Y HN 0.689 nan 8.280 nan 0.000 0.451 226 T N 1.552 116.056 114.554 -0.084 0.000 2.916 226 T HA 0.499 4.851 4.350 0.004 0.000 0.298 226 T C -0.614 173.845 174.700 -0.402 0.000 1.031 226 T CA -1.016 60.920 62.100 -0.273 0.000 0.993 226 T CB 1.352 69.974 68.868 -0.410 0.000 1.045 226 T HN 0.624 nan 8.240 nan 0.000 0.454 227 T N 0.390 114.735 114.554 -0.347 0.000 2.855 227 T HA 0.736 5.088 4.350 0.004 0.000 0.281 227 T C -1.380 173.127 174.700 -0.321 0.000 1.007 227 T CA -0.740 61.169 62.100 -0.318 0.000 1.009 227 T CB 0.835 69.598 68.868 -0.175 0.000 0.983 227 T HN 0.398 nan 8.240 nan 0.000 0.455 228 Y N 0.546 120.808 120.300 -0.062 0.000 2.350 228 Y HA 0.638 5.190 4.550 0.003 0.000 0.338 228 Y C 0.098 175.829 175.900 -0.282 0.000 0.961 228 Y CA -1.215 56.768 58.100 -0.194 0.000 1.100 228 Y CB 2.255 40.748 38.460 0.056 0.000 1.179 228 Y HN 0.801 nan 8.280 nan 0.000 0.454 229 S N 1.941 117.434 115.700 -0.344 0.000 2.571 229 S HA 0.270 4.742 4.470 0.004 0.000 0.284 229 S C -1.707 172.795 174.600 -0.163 0.000 1.128 229 S CA -0.727 57.359 58.200 -0.188 0.000 0.970 229 S CB 0.943 64.131 63.200 -0.020 0.000 1.039 229 S HN 0.623 nan 8.310 nan 0.000 0.485 230 H N 3.183 122.216 119.070 -0.062 0.000 2.581 230 H HA 0.610 5.168 4.556 0.004 0.000 0.308 230 H C -1.346 174.101 175.328 0.198 0.000 1.040 230 H CA -0.741 55.424 56.048 0.196 0.000 1.231 230 H CB 0.040 30.007 29.762 0.341 0.000 1.396 230 H HN 0.481 nan 8.280 nan 0.000 0.467 231 L N 6.310 127.542 121.223 0.015 0.000 2.313 231 L HA 0.221 4.563 4.340 0.004 0.000 0.283 231 L C 0.257 177.019 176.870 -0.179 0.000 1.013 231 L CA -0.758 54.036 54.840 -0.076 0.000 0.816 231 L CB 1.736 43.811 42.059 0.026 0.000 1.236 231 L HN 0.550 nan 8.230 nan 0.000 0.419 232 L N 1.545 122.617 121.223 -0.251 0.000 2.529 232 L HA 0.143 4.485 4.340 0.004 0.000 0.223 232 L C 1.024 177.864 176.870 -0.051 0.000 1.113 232 L CA 0.647 55.344 54.840 -0.238 0.000 0.861 232 L CB -0.072 41.727 42.059 -0.433 0.000 1.012 232 L HN 0.796 nan 8.230 nan 0.000 0.461 233 T N -6.177 108.381 114.554 0.008 0.000 2.864 233 T HA 0.651 5.003 4.350 0.004 0.000 0.299 233 T C 0.893 175.612 174.700 0.032 0.000 1.166 233 T CA -0.258 61.869 62.100 0.044 0.000 1.007 233 T CB 1.641 70.552 68.868 0.072 0.000 1.219 233 T HN -0.150 nan 8.240 nan 0.000 0.506 234 A N 0.423 123.263 122.820 0.034 0.000 1.933 234 A HA -0.054 4.268 4.320 0.004 0.000 0.218 234 A C 2.169 179.763 177.584 0.018 0.000 1.175 234 A CA 1.716 53.769 52.037 0.027 0.000 0.628 234 A CB -1.090 17.925 19.000 0.025 0.000 0.814 234 A HN 0.783 nan 8.150 nan 0.000 0.444 235 Q N 0.072 119.880 119.800 0.013 0.000 2.084 235 Q HA -0.130 4.212 4.340 0.004 0.000 0.202 235 Q C 1.874 177.875 176.000 0.002 0.000 0.978 235 Q CA 1.846 57.651 55.803 0.003 0.000 0.844 235 Q CB -0.351 28.384 28.738 -0.005 0.000 0.898 235 Q HN 0.799 nan 8.270 nan 0.000 0.426 236 E N -0.384 119.818 120.200 0.003 0.000 2.077 236 E HA -0.138 4.214 4.350 0.004 0.000 0.193 236 E C 1.979 178.584 176.600 0.009 0.000 0.989 236 E CA 1.237 57.638 56.400 0.001 0.000 0.800 236 E CB -0.022 29.674 29.700 -0.008 0.000 0.746 236 E HN 0.124 nan 8.360 nan 0.000 0.452 237 V N 1.105 121.028 119.914 0.016 0.000 2.287 237 V HA -0.283 3.840 4.120 0.004 0.000 0.248 237 V C 2.309 178.412 176.094 0.015 0.000 1.053 237 V CA 1.990 64.304 62.300 0.024 0.000 1.027 237 V CB -0.492 31.351 31.823 0.034 0.000 0.646 237 V HN 0.207 nan 8.190 nan 0.000 0.447 238 S N -0.518 115.189 115.700 0.010 0.000 2.353 238 S HA -0.267 4.205 4.470 0.004 0.000 0.222 238 S C 2.037 176.636 174.600 -0.002 0.000 1.035 238 S CA 1.947 60.150 58.200 0.005 0.000 1.025 238 S CB -0.381 62.822 63.200 0.004 0.000 0.902 238 S HN 0.611 nan 8.310 nan 0.000 0.440 239 K N 1.007 121.406 120.400 -0.002 0.000 2.147 239 K HA -0.155 4.167 4.320 0.004 0.000 0.205 239 K C 1.979 178.574 176.600 -0.008 0.000 1.049 239 K CA 1.512 57.796 56.287 -0.004 0.000 0.936 239 K CB -0.100 32.399 32.500 -0.001 0.000 0.722 239 K HN 0.155 nan 8.250 nan 0.000 0.446 240 E N 0.730 120.924 120.200 -0.010 0.000 2.208 240 E HA -0.076 4.276 4.350 0.004 0.000 0.193 240 E C 0.383 176.941 176.600 -0.070 0.000 0.988 240 E CA 0.524 56.908 56.400 -0.027 0.000 0.828 240 E CB 0.113 29.805 29.700 -0.015 0.000 0.763 240 E HN 0.241 nan 8.360 nan 0.000 0.478 244 I N 1.887 122.341 120.570 -0.193 0.000 2.208 244 I HA -0.193 3.979 4.170 0.004 0.000 0.245 244 I C 2.317 178.303 176.117 -0.218 0.000 1.097 244 I CA 1.592 62.724 61.300 -0.279 0.000 1.363 244 I CB -0.673 37.041 38.000 -0.476 0.000 1.051 244 I HN 0.241 nan 8.210 nan 0.000 0.413 245 R N 0.492 120.898 120.500 -0.157 0.000 2.081 245 R HA -0.169 4.173 4.340 0.004 0.000 0.235 245 R C 1.889 178.155 176.300 -0.056 0.000 1.131 245 R CA 1.429 57.475 56.100 -0.091 0.000 0.960 245 R CB -0.247 30.019 30.300 -0.056 0.000 0.856 245 R HN 0.447 nan 8.270 nan 0.000 0.436 246 D N 0.671 121.047 120.400 -0.040 0.000 2.117 246 D HA -0.131 4.511 4.640 0.004 0.000 0.197 246 D C 1.981 178.314 176.300 0.054 0.000 0.987 246 D CA 1.128 55.154 54.000 0.043 0.000 0.829 246 D CB -0.125 40.740 40.800 0.108 0.000 0.961 246 D HN 0.223 nan 8.370 nan 0.000 0.460 247 I N 0.892 121.354 120.570 -0.181 0.000 2.179 247 I HA -0.242 3.930 4.170 0.004 0.000 0.242 247 I C 2.429 178.446 176.117 -0.167 0.000 1.088 247 I CA 0.806 61.877 61.300 -0.382 0.000 1.357 247 I CB -0.174 37.476 38.000 -0.584 0.000 1.051 247 I HN -0.046 nan 8.210 nan 0.000 0.409 248 L N 0.255 121.396 121.223 -0.137 0.000 2.291 248 L HA -0.106 4.236 4.340 0.004 0.000 0.214 248 L C 2.641 179.471 176.870 -0.066 0.000 1.120 248 L CA 0.836 55.618 54.840 -0.098 0.000 0.799 248 L CB -0.563 41.460 42.059 -0.059 0.000 0.925 248 L HN 0.239 nan 8.230 nan 0.000 0.446 249 A N 0.214 123.022 122.820 -0.020 0.000 1.975 249 A HA 0.025 4.347 4.320 0.004 0.000 0.215 249 A C 1.386 178.996 177.584 0.043 0.000 1.170 249 A CA 0.585 52.632 52.037 0.018 0.000 0.656 249 A CB 0.051 19.076 19.000 0.041 0.000 0.821 249 A HN 0.364 nan 8.150 nan 0.000 0.449 250 R N -0.644 119.916 120.500 0.099 0.000 2.701 250 R HA 0.176 4.518 4.340 0.004 0.000 0.281 250 R C -2.255 174.136 176.300 0.151 0.000 1.367 250 R CA -1.247 54.962 56.100 0.181 0.000 1.510 250 R CB 0.870 31.463 30.300 0.488 0.000 1.306 250 R HN 0.270 nan 8.270 nan 0.000 0.682 251 P HA -0.227 nan 4.420 nan 0.000 0.218 251 P C 1.195 178.425 177.300 -0.116 0.000 1.148 251 P CA 1.458 64.409 63.100 -0.249 0.000 0.822 251 P CB 0.413 31.473 31.700 -1.066 0.000 0.784 252 A N -0.612 122.080 122.820 -0.214 0.000 1.933 252 A HA -0.167 4.155 4.320 0.004 0.000 0.218 252 A C 2.028 179.519 177.584 -0.156 0.000 1.175 252 A CA 1.296 53.213 52.037 -0.199 0.000 0.628 252 A CB -1.689 17.112 19.000 -0.331 0.000 0.814 252 A HN 0.041 nan 8.150 nan 0.000 0.444 253 F N -1.579 118.350 119.950 -0.035 0.000 2.171 253 F HA -0.109 4.420 4.527 0.004 0.000 0.300 253 F C 2.121 177.817 175.800 -0.173 0.000 1.090 253 F CA 1.192 59.115 58.000 -0.128 0.000 1.293 253 F CB -0.889 37.975 39.000 -0.227 0.000 1.013 253 F HN 0.301 nan 8.300 nan 0.000 0.486 254 Y N -0.515 119.886 120.300 0.167 0.000 2.263 254 Y HA -0.096 4.456 4.550 0.003 0.000 0.292 254 Y C 2.295 178.266 175.900 0.119 0.000 1.130 254 Y CA 0.875 59.050 58.100 0.126 0.000 1.179 254 Y CB -0.652 37.857 38.460 0.082 0.000 0.998 254 Y HN -0.035 nan 8.280 nan 0.000 0.532 255 L N -1.125 120.229 121.223 0.218 0.000 2.056 255 L HA -0.208 4.134 4.340 0.004 0.000 0.207 255 L C 2.291 179.250 176.870 0.147 0.000 1.078 255 L CA 1.641 56.583 54.840 0.169 0.000 0.749 255 L CB -0.902 41.233 42.059 0.127 0.000 0.901 255 L HN 0.161 nan 8.230 nan 0.000 0.433 256 T N -0.014 114.604 114.554 0.108 0.000 2.746 256 T HA -0.169 4.183 4.350 0.004 0.000 0.267 256 T C 2.023 176.791 174.700 0.113 0.000 1.039 256 T CA 1.326 63.483 62.100 0.094 0.000 1.142 256 T CB -0.243 68.665 68.868 0.067 0.000 0.866 256 T HN 0.438 nan 8.240 nan 0.000 0.444 257 A N 1.068 123.956 122.820 0.113 0.000 1.908 257 A HA -0.122 4.201 4.320 0.004 0.000 0.218 257 A C 2.569 180.249 177.584 0.160 0.000 1.181 257 A CA 2.227 54.325 52.037 0.102 0.000 0.627 257 A CB -1.068 17.968 19.000 0.059 0.000 0.818 257 A HN 0.474 nan 8.150 nan 0.000 0.445 258 S N -1.057 114.784 115.700 0.236 0.000 2.355 258 S HA -0.244 4.228 4.470 0.004 0.000 0.222 258 S C 2.237 177.062 174.600 0.376 0.000 1.031 258 S CA 1.676 60.089 58.200 0.356 0.000 0.993 258 S CB -0.404 63.025 63.200 0.382 0.000 0.859 258 S HN 0.673 nan 8.310 nan 0.000 0.453 259 Q N 0.141 120.093 119.800 0.254 0.000 2.061 259 Q HA -0.195 4.147 4.340 0.004 0.000 0.204 259 Q C 2.348 178.465 176.000 0.196 0.000 0.984 259 Q CA 1.867 57.802 55.803 0.220 0.000 0.846 259 Q CB -0.237 28.589 28.738 0.145 0.000 0.902 259 Q HN 0.702 nan 8.270 nan 0.000 0.421 260 Q N -0.262 119.615 119.800 0.128 0.000 2.119 260 Q HA -0.172 4.170 4.340 0.004 0.000 0.201 260 Q C 2.163 178.158 176.000 -0.009 0.000 0.972 260 Q CA 1.176 57.017 55.803 0.064 0.000 0.847 260 Q CB -0.182 28.581 28.738 0.041 0.000 0.903 260 Q HN 0.286 nan 8.270 nan 0.000 0.433 261 R N 0.044 120.523 120.500 -0.035 0.000 2.081 261 R HA -0.178 4.164 4.340 0.004 0.000 0.235 261 R C 1.558 177.478 176.300 -0.633 0.000 1.131 261 R CA 1.564 57.474 56.100 -0.317 0.000 0.960 261 R CB -0.110 30.060 30.300 -0.216 0.000 0.856 261 R HN 0.288 nan 8.270 nan 0.000 0.436 262 W N 0.876 122.065 121.300 -0.185 0.000 2.476 262 W HA -0.014 4.648 4.660 0.004 0.000 0.281 262 W C 2.232 178.770 176.519 0.032 0.000 1.230 262 W CA 0.297 57.642 57.345 0.001 0.000 1.287 262 W CB 0.109 29.684 29.460 0.192 0.000 1.108 262 W HN 0.093 nan 8.180 nan 0.000 0.567 263 E N 0.288 120.605 120.200 0.196 0.000 2.110 263 E HA -0.237 4.115 4.350 0.004 0.000 0.193 263 E C 1.787 178.435 176.600 0.080 0.000 0.988 263 E CA 1.443 57.933 56.400 0.151 0.000 0.804 263 E CB -0.418 29.349 29.700 0.112 0.000 0.745 263 E HN 0.508 nan 8.360 nan 0.000 0.458 264 E N -0.438 119.743 120.200 -0.032 0.000 2.107 264 E HA -0.170 4.182 4.350 0.004 0.000 0.191 264 E C 1.696 178.304 176.600 0.014 0.000 0.982 264 E CA 0.588 56.953 56.400 -0.058 0.000 0.809 264 E CB -0.034 29.571 29.700 -0.158 0.000 0.756 264 E HN 0.184 nan 8.360 nan 0.000 0.459 265 Y N 0.758 121.047 120.300 -0.018 0.000 2.181 265 Y HA -0.189 4.363 4.550 0.004 0.000 0.288 265 Y C 2.174 178.062 175.900 -0.019 0.000 1.146 265 Y CA 0.995 59.069 58.100 -0.042 0.000 1.164 265 Y CB -0.578 37.752 38.460 -0.217 0.000 0.982 265 Y HN 0.096 nan 8.280 nan 0.000 0.515 266 L N -0.562 120.776 121.223 0.192 0.000 2.072 266 L HA -0.173 4.169 4.340 0.004 0.000 0.205 266 L C 2.444 179.386 176.870 0.120 0.000 1.079 266 L CA 1.437 56.345 54.840 0.114 0.000 0.752 266 L CB -0.514 41.639 42.059 0.156 0.000 0.906 266 L HN 0.044 nan 8.230 nan 0.000 0.436 267 K N 0.982 121.457 120.400 0.125 0.000 2.057 267 K HA -0.164 4.158 4.320 0.004 0.000 0.207 267 K C 2.003 178.675 176.600 0.120 0.000 1.049 267 K CA 1.625 57.980 56.287 0.112 0.000 0.931 267 K CB -0.024 32.526 32.500 0.085 0.000 0.714 267 K HN 0.125 nan 8.250 nan 0.000 0.440 268 K N -1.299 119.179 120.400 0.129 0.000 2.167 268 K HA 0.040 4.362 4.320 0.004 0.000 0.203 268 K C 2.085 178.819 176.600 0.224 0.000 1.052 268 K CA 1.129 57.505 56.287 0.147 0.000 0.956 268 K CB -0.065 32.512 32.500 0.128 0.000 0.735 268 K HN 0.336 nan 8.250 nan 0.000 0.451 269 G N 1.171 110.111 108.800 0.234 0.000 2.426 269 G HA2 -0.048 3.914 3.960 0.004 0.000 0.214 269 G HA3 -0.048 3.914 3.960 0.004 0.000 0.214 269 G C 0.744 175.883 174.900 0.399 0.000 1.156 269 G CA -0.050 45.241 45.100 0.317 0.000 0.802 269 G HN 0.066 nan 8.290 nan 0.000 0.534 270 L N 3.079 124.447 121.223 0.242 0.000 2.384 270 L HA 0.204 4.546 4.340 0.004 0.000 0.258 270 L C 1.290 178.351 176.870 0.319 0.000 1.266 270 L CA -0.094 54.918 54.840 0.287 0.000 1.162 270 L CB 0.183 42.331 42.059 0.148 0.000 1.375 270 L HN 0.171 nan 8.230 nan 0.000 0.420 271 T N -3.538 111.217 114.554 0.334 0.000 3.145 271 T HA 0.068 4.421 4.350 0.004 0.000 0.255 271 T C 0.612 175.326 174.700 0.025 0.000 1.039 271 T CA -0.416 61.778 62.100 0.156 0.000 0.928 271 T CB -0.244 68.697 68.868 0.123 0.000 1.029 271 T HN 0.266 nan 8.240 nan 0.000 0.554 272 N N 2.727 121.407 118.700 -0.033 0.000 2.621 272 N HA 0.326 5.069 4.740 0.004 0.000 0.237 272 N C -1.668 173.805 175.510 -0.062 0.000 0.997 272 N CA -2.499 50.416 53.050 -0.224 0.000 0.918 272 N CB 1.872 39.934 38.487 -0.707 0.000 1.122 272 N HN 0.003 nan 8.380 nan 0.000 0.510 273 P HA 0.010 nan 4.420 nan 0.000 0.230 273 P C -0.185 177.117 177.300 0.003 0.000 1.158 273 P CA 0.743 63.853 63.100 0.017 0.000 0.769 273 P CB 0.623 32.332 31.700 0.015 0.000 0.807 274 D N -0.038 120.341 120.400 -0.035 0.000 2.349 274 D HA 0.117 4.759 4.640 0.004 0.000 0.215 274 D C 1.010 177.295 176.300 -0.024 0.000 1.016 274 D CA 0.179 54.161 54.000 -0.029 0.000 0.870 274 D CB 0.057 40.830 40.800 -0.045 0.000 0.917 274 D HN 0.144 nan 8.370 nan 0.000 0.524 275 A N 1.156 123.964 122.820 -0.019 0.000 2.425 275 A HA 0.384 4.706 4.320 0.004 0.000 0.249 275 A C 0.961 178.578 177.584 0.055 0.000 1.084 275 A CA -0.322 51.731 52.037 0.027 0.000 0.781 275 A CB 0.216 19.303 19.000 0.145 0.000 1.019 275 A HN 0.152 nan 8.150 nan 0.000 0.490 276 T N 0.138 114.695 114.554 0.006 0.000 2.788 276 T HA 0.384 4.736 4.350 0.004 0.000 0.287 276 T C -1.947 172.802 174.700 0.082 0.000 1.007 276 T CA -1.202 60.909 62.100 0.019 0.000 1.005 276 T CB 0.578 69.426 68.868 -0.033 0.000 1.012 276 T HN 0.313 nan 8.240 nan 0.000 0.530 277 P HA -0.056 nan 4.420 nan 0.000 0.216 277 P C 1.259 178.652 177.300 0.156 0.000 1.150 277 P CA 0.966 64.142 63.100 0.127 0.000 0.837 277 P CB 0.043 31.796 31.700 0.089 0.000 0.786 278 E N -0.438 119.848 120.200 0.144 0.000 2.077 278 E HA -0.186 4.166 4.350 0.004 0.000 0.193 278 E C 2.098 178.861 176.600 0.272 0.000 0.989 278 E CA 1.265 57.790 56.400 0.209 0.000 0.800 278 E CB -0.861 28.994 29.700 0.259 0.000 0.746 278 E HN 0.410 nan 8.360 nan 0.000 0.452 279 Q N -0.362 119.526 119.800 0.148 0.000 2.172 279 Q HA -0.047 4.295 4.340 0.004 0.000 0.200 279 Q C 1.976 178.140 176.000 0.272 0.000 0.964 279 Q CA 1.544 57.416 55.803 0.115 0.000 0.855 279 Q CB -0.044 28.578 28.738 -0.192 0.000 0.918 279 Q HN 0.224 nan 8.270 nan 0.000 0.444 280 T N 0.737 115.427 114.554 0.227 0.000 2.821 280 T HA -0.142 4.210 4.350 0.004 0.000 0.267 280 T C 1.673 176.367 174.700 -0.010 0.000 1.046 280 T CA 1.148 63.310 62.100 0.104 0.000 1.139 280 T CB -0.120 68.875 68.868 0.212 0.000 0.871 280 T HN 0.260 nan 8.240 nan 0.000 0.454 281 R N 0.784 121.362 120.500 0.130 0.000 2.120 281 R HA -0.054 4.288 4.340 0.004 0.000 0.234 281 R C 2.175 178.515 176.300 0.065 0.000 1.123 281 R CA 0.987 57.158 56.100 0.120 0.000 0.975 281 R CB -0.437 29.978 30.300 0.193 0.000 0.866 281 R HN 0.217 nan 8.270 nan 0.000 0.446 282 V N 1.122 121.116 119.914 0.134 0.000 2.343 282 V HA -0.217 3.905 4.120 0.004 0.000 0.247 282 V C 2.505 178.653 176.094 0.090 0.000 1.051 282 V CA 1.891 64.296 62.300 0.175 0.000 1.036 282 V CB -0.733 31.299 31.823 0.348 0.000 0.654 282 V HN 0.562 nan 8.190 nan 0.000 0.451 283 A N -0.165 122.624 122.820 -0.052 0.000 1.908 283 A HA -0.177 4.145 4.320 0.004 0.000 0.218 283 A C 2.381 179.843 177.584 -0.203 0.000 1.181 283 A CA 2.188 54.095 52.037 -0.216 0.000 0.627 283 A CB -0.705 17.725 19.000 -0.950 0.000 0.818 283 A HN 0.352 nan 8.150 nan 0.000 0.445 284 V N 0.198 119.952 119.914 -0.267 0.000 2.427 284 V HA -0.251 3.871 4.120 0.004 0.000 0.248 284 V C 2.510 178.532 176.094 -0.120 0.000 1.051 284 V CA 2.294 64.421 62.300 -0.287 0.000 1.048 284 V CB -0.649 30.874 31.823 -0.500 0.000 0.666 284 V HN 0.690 nan 8.190 nan 0.000 0.456 285 K N 0.412 120.790 120.400 -0.037 0.000 2.057 285 K HA -0.183 4.139 4.320 0.004 0.000 0.207 285 K C 2.194 178.816 176.600 0.036 0.000 1.049 285 K CA 1.555 57.862 56.287 0.033 0.000 0.931 285 K CB -0.302 32.242 32.500 0.074 0.000 0.714 285 K HN 0.428 nan 8.250 nan 0.000 0.440 286 A N 1.009 123.844 122.820 0.025 0.000 1.902 286 A HA -0.144 4.179 4.320 0.004 0.000 0.217 286 A C 1.958 179.498 177.584 -0.072 0.000 1.181 286 A CA 1.382 53.439 52.037 0.035 0.000 0.623 286 A CB -0.447 18.619 19.000 0.110 0.000 0.818 286 A HN 0.276 nan 8.150 nan 0.000 0.443 287 I N 0.227 120.645 120.570 -0.253 0.000 2.226 287 I HA -0.196 3.976 4.170 0.004 0.000 0.245 287 I C 2.352 178.417 176.117 -0.086 0.000 1.100 287 I CA 1.455 62.455 61.300 -0.501 0.000 1.374 287 I CB -0.717 36.826 38.000 -0.761 0.000 1.057 287 I HN 0.405 nan 8.210 nan 0.000 0.413 288 E N -0.292 119.958 120.200 0.084 0.000 2.077 288 E HA -0.192 4.160 4.350 0.004 0.000 0.193 288 E C 2.130 178.864 176.600 0.223 0.000 0.989 288 E CA 1.867 58.427 56.400 0.267 0.000 0.800 288 E CB -0.181 29.631 29.700 0.186 0.000 0.746 288 E HN 0.479 nan 8.360 nan 0.000 0.452 289 T N 1.609 116.243 114.554 0.133 0.000 2.674 289 T HA -0.133 4.219 4.350 0.004 0.000 0.265 289 T C 2.019 176.777 174.700 0.096 0.000 1.039 289 T CA 0.862 63.031 62.100 0.115 0.000 1.150 289 T CB -0.256 68.664 68.868 0.087 0.000 0.864 289 T HN 0.070 nan 8.240 nan 0.000 0.427 290 L N 1.109 122.383 121.223 0.085 0.000 2.046 290 L HA -0.115 4.227 4.340 0.004 0.000 0.208 290 L C 2.570 179.510 176.870 0.115 0.000 1.077 290 L CA 1.034 55.922 54.840 0.079 0.000 0.747 290 L CB -0.570 41.564 42.059 0.124 0.000 0.896 290 L HN 0.193 nan 8.230 nan 0.000 0.432 291 N N 0.182 118.979 118.700 0.161 0.000 2.309 291 N HA -0.111 4.631 4.740 0.004 0.000 0.182 291 N C 1.791 177.472 175.510 0.284 0.000 1.018 291 N CA 1.362 54.571 53.050 0.266 0.000 0.876 291 N CB -0.418 38.181 38.487 0.188 0.000 0.972 291 N HN 0.356 nan 8.380 nan 0.000 0.434 292 G N 0.316 109.239 108.800 0.205 0.000 2.448 292 G HA2 -0.149 3.813 3.960 0.004 0.000 0.218 292 G HA3 -0.149 3.813 3.960 0.004 0.000 0.218 292 G C 1.337 176.187 174.900 -0.084 0.000 1.135 292 G CA 0.260 45.421 45.100 0.101 0.000 0.784 292 G HN 0.263 nan 8.290 nan 0.000 0.543 293 N N -0.552 118.130 118.700 -0.029 0.000 2.336 293 N HA 0.050 4.792 4.740 0.004 0.000 0.189 293 N C -0.016 175.470 175.510 -0.040 0.000 1.113 293 N CA -0.355 52.633 53.050 -0.103 0.000 0.858 293 N CB 0.089 38.538 38.487 -0.064 0.000 0.970 293 N HN 0.522 nan 8.380 nan 0.000 0.471 294 W N 3.155 124.346 121.300 -0.182 0.000 2.304 294 W HA 0.339 5.001 4.660 0.003 0.000 0.313 294 W C -0.490 175.903 176.519 -0.210 0.000 1.323 294 W CA -0.810 56.440 57.345 -0.158 0.000 1.223 294 W CB 0.462 29.849 29.460 -0.121 0.000 1.237 294 W HN -0.239 nan 8.180 nan 0.000 0.535 295 R N 4.590 125.137 120.500 0.078 0.000 2.670 295 R HA 0.352 4.694 4.340 0.004 0.000 0.289 295 R C 0.146 176.550 176.300 0.174 0.000 0.965 295 R CA -0.665 55.320 56.100 -0.191 0.000 0.899 295 R CB 1.671 31.777 30.300 -0.324 0.000 1.173 295 R HN 0.718 nan 8.270 nan 0.000 0.456 296 S N 1.998 117.821 115.700 0.205 0.000 2.634 296 S HA 0.413 4.885 4.470 0.004 0.000 0.261 296 S C -2.328 172.551 174.600 0.464 0.000 1.271 296 S CA -1.202 57.224 58.200 0.378 0.000 0.985 296 S CB 0.399 63.793 63.200 0.323 0.000 0.968 296 S HN 0.256 nan 8.310 nan 0.000 0.568 297 P HA 0.365 nan 4.420 nan 0.000 0.265 297 P C -0.184 177.167 177.300 0.084 0.000 1.187 297 P CA 0.403 63.606 63.100 0.172 0.000 0.766 297 P CB 0.220 31.940 31.700 0.034 0.000 0.820 298 G N 0.906 109.649 108.800 -0.095 0.000 2.761 298 G HA2 0.522 4.484 3.960 0.004 0.000 0.296 298 G HA3 0.522 4.484 3.960 0.004 0.000 0.296 298 G C -0.044 174.085 174.900 -1.286 0.000 1.416 298 G CA 0.168 44.837 45.100 -0.719 0.000 1.105 298 G HN 0.789 nan 8.290 nan 0.000 0.565 299 G N 1.205 108.730 108.800 -2.125 0.000 2.583 299 G HA2 0.087 4.049 3.960 0.004 0.000 0.292 299 G HA3 0.087 4.049 3.960 0.004 0.000 0.292 299 G C 1.669 176.189 174.900 -0.634 0.000 1.203 299 G CA 1.683 45.729 45.100 -1.757 0.000 0.987 299 G HN 2.142 nan 8.290 nan 0.000 0.554 300 A N -0.817 121.803 122.820 -0.333 0.000 2.121 300 A HA 0.451 4.773 4.320 0.004 0.000 0.218 300 A C 1.314 179.086 177.584 0.312 0.000 1.154 300 A CA 1.967 54.027 52.037 0.038 0.000 0.679 300 A CB -0.159 18.817 19.000 -0.040 0.000 0.795 300 A HN 1.475 nan 8.150 nan 0.000 0.458 301 V N 1.688 121.700 119.914 0.164 0.000 2.353 301 V HA 0.138 4.260 4.120 0.004 0.000 0.264 301 V C 0.481 176.663 176.094 0.147 0.000 1.049 301 V CA -0.423 62.054 62.300 0.296 0.000 0.896 301 V CB 1.074 33.050 31.823 0.254 0.000 1.025 301 V HN 0.265 nan 8.190 nan 0.000 0.475 302 K N 3.718 124.197 120.400 0.131 0.000 2.458 302 K HA 0.278 4.600 4.320 0.004 0.000 0.194 302 K C -0.326 176.032 176.600 -0.404 0.000 1.024 302 K CA 0.383 56.560 56.287 -0.183 0.000 1.108 302 K CB -0.047 32.251 32.500 -0.337 0.000 0.846 302 K HN 0.497 nan 8.250 nan 0.000 0.518 303 F N 0.291 120.308 119.950 0.113 0.000 2.611 303 F HA 0.306 4.835 4.527 0.003 0.000 0.324 303 F C 0.819 176.714 175.800 0.157 0.000 1.061 303 F CA -1.159 56.913 58.000 0.119 0.000 0.954 303 F CB 0.800 39.866 39.000 0.111 0.000 1.301 303 F HN -0.212 nan 8.300 nan 0.000 0.482 304 N N 0.704 119.628 118.700 0.373 0.000 2.479 304 N HA 0.221 4.963 4.740 0.004 0.000 0.257 304 N C -0.366 175.310 175.510 0.276 0.000 1.232 304 N CA 0.519 53.781 53.050 0.354 0.000 0.920 304 N CB 1.419 40.113 38.487 0.345 0.000 1.105 304 N HN 0.610 nan 8.380 nan 0.000 0.444 305 T N -0.112 114.605 114.554 0.272 0.000 2.754 305 T HA 0.537 4.889 4.350 0.004 0.000 0.296 305 T C -1.544 173.240 174.700 0.140 0.000 1.205 305 T CA -0.509 61.685 62.100 0.156 0.000 1.009 305 T CB 1.155 70.107 68.868 0.139 0.000 1.368 305 T HN 0.048 nan 8.240 nan 0.000 0.509 306 V N 2.537 122.485 119.914 0.055 0.000 2.623 306 V HA 0.604 4.726 4.120 0.004 0.000 0.304 306 V C 0.401 176.501 176.094 0.010 0.000 1.054 306 V CA -0.755 61.563 62.300 0.030 0.000 0.882 306 V CB 1.638 33.450 31.823 -0.020 0.000 1.002 306 V HN 1.144 nan 8.190 nan 0.000 0.424 307 T N 2.114 116.669 114.554 0.001 0.000 2.912 307 T HA 0.490 4.842 4.350 0.004 0.000 0.280 307 T C -2.014 172.660 174.700 -0.044 0.000 0.989 307 T CA -2.088 60.041 62.100 0.048 0.000 0.995 307 T CB 2.079 70.994 68.868 0.078 0.000 1.077 307 T HN 0.372 nan 8.240 nan 0.000 0.531 308 P HA 0.091 nan 4.420 nan 0.000 0.220 308 P C 0.150 177.332 177.300 -0.197 0.000 1.148 308 P CA 0.769 63.628 63.100 -0.401 0.000 0.803 308 P CB 0.224 31.377 31.700 -0.912 0.000 0.782 309 S N -2.359 113.357 115.700 0.027 0.000 2.581 309 S HA 0.115 4.587 4.470 0.004 0.000 0.306 309 S C 0.243 174.861 174.600 0.029 0.000 1.080 309 S CA -0.635 57.607 58.200 0.071 0.000 0.925 309 S CB 0.522 63.839 63.200 0.195 0.000 1.128 309 S HN -0.196 nan 8.310 nan 0.000 0.451 310 V N 4.935 124.783 119.914 -0.111 0.000 2.759 310 V HA -0.013 4.109 4.120 0.004 0.000 0.256 310 V C 2.037 178.033 176.094 -0.164 0.000 1.080 310 V CA 2.788 64.921 62.300 -0.278 0.000 1.101 310 V CB -0.455 30.977 31.823 -0.653 0.000 0.698 310 V HN 1.056 nan 8.190 nan 0.000 0.477 311 T N -2.594 111.937 114.554 -0.038 0.000 3.086 311 T HA 0.308 4.660 4.350 0.004 0.000 0.250 311 T C 0.976 175.692 174.700 0.026 0.000 1.074 311 T CA 0.362 62.476 62.100 0.024 0.000 0.988 311 T CB -0.010 68.912 68.868 0.090 0.000 0.988 311 T HN 0.552 nan 8.240 nan 0.000 0.530 312 G N 1.356 110.174 108.800 0.030 0.000 2.483 312 G HA2 0.346 4.308 3.960 0.004 0.000 0.248 312 G HA3 0.346 4.308 3.960 0.004 0.000 0.248 312 G C 0.779 175.642 174.900 -0.061 0.000 1.248 312 G CA -0.699 44.413 45.100 0.021 0.000 0.838 312 G HN 0.228 nan 8.290 nan 0.000 0.566 313 R N 0.959 121.370 120.500 -0.148 0.000 2.091 313 R HA -0.078 4.264 4.340 0.004 0.000 0.238 313 R C 1.154 177.001 176.300 -0.754 0.000 1.136 313 R CA 1.777 57.474 56.100 -0.672 0.000 0.959 313 R CB -0.231 29.409 30.300 -1.099 0.000 0.856 313 R HN 0.745 nan 8.270 nan 0.000 0.437 314 W N -2.193 118.974 121.300 -0.221 0.000 2.702 314 W HA 0.304 4.966 4.660 0.004 0.000 0.369 314 W C -0.040 176.560 176.519 0.135 0.000 0.987 314 W CA -0.762 56.550 57.345 -0.056 0.000 1.702 314 W CB 0.573 29.958 29.460 -0.125 0.000 1.138 314 W HN -0.097 nan 8.180 nan 0.000 0.552 315 F N -0.709 119.420 119.950 0.297 0.000 2.661 315 F HA 0.329 4.858 4.527 0.003 0.000 0.306 315 F C 1.410 177.295 175.800 0.142 0.000 1.094 315 F CA -0.796 57.361 58.000 0.262 0.000 1.254 315 F CB -0.594 38.467 39.000 0.101 0.000 1.040 315 F HN -0.331 nan 8.300 nan 0.000 0.562 316 S N -0.773 115.040 115.700 0.187 0.000 2.552 316 S HA 0.646 5.118 4.470 0.004 0.000 0.271 316 S C 1.144 175.713 174.600 -0.052 0.000 1.168 316 S CA 0.343 58.548 58.200 0.008 0.000 1.026 316 S CB 0.282 63.454 63.200 -0.045 0.000 1.120 316 S HN 0.593 nan 8.310 nan 0.000 0.514 317 G N 1.918 110.637 108.800 -0.135 0.000 2.596 317 G HA2 -0.299 3.663 3.960 0.004 0.000 0.295 317 G HA3 -0.299 3.663 3.960 0.004 0.000 0.295 317 G C -0.033 174.781 174.900 -0.143 0.000 1.240 317 G CA 0.610 45.670 45.100 -0.066 0.000 0.985 317 G HN 1.172 nan 8.290 nan 0.000 0.555 318 N N 0.697 119.481 118.700 0.140 0.000 2.338 318 N HA 0.150 4.892 4.740 0.004 0.000 0.251 318 N C 0.320 175.886 175.510 0.094 0.000 1.199 318 N CA 0.183 53.311 53.050 0.130 0.000 0.879 318 N CB 0.244 38.972 38.487 0.402 0.000 1.159 318 N HN 0.819 nan 8.380 nan 0.000 0.514 319 Q N 0.626 120.459 119.800 0.055 0.000 2.255 319 Q HA 0.142 4.484 4.340 0.004 0.000 0.280 319 Q C -0.532 175.429 176.000 -0.065 0.000 1.068 319 Q CA 0.740 56.492 55.803 -0.084 0.000 0.911 319 Q CB 0.425 29.156 28.738 -0.011 0.000 1.157 319 Q HN 0.201 nan 8.270 nan 0.000 0.380 320 T N 2.868 117.238 114.554 -0.306 0.000 2.861 320 T HA 0.459 4.811 4.350 0.004 0.000 0.287 320 T C -0.912 173.597 174.700 -0.319 0.000 1.003 320 T CA -0.747 61.271 62.100 -0.137 0.000 0.977 320 T CB 1.042 69.838 68.868 -0.120 0.000 0.996 320 T HN 0.420 nan 8.240 nan 0.000 0.448 321 W N 2.202 123.388 121.300 -0.190 0.000 2.689 321 W HA 0.287 4.949 4.660 0.004 0.000 0.340 321 W C -2.184 174.135 176.519 -0.335 0.000 1.060 321 W CA -2.347 54.877 57.345 -0.201 0.000 1.218 321 W CB 1.892 31.308 29.460 -0.074 0.000 1.410 321 W HN 0.485 nan 8.180 nan 0.000 0.528 322 P HA -0.195 nan 4.420 nan 0.000 0.214 322 P C 1.806 178.554 177.300 -0.919 0.000 1.162 322 P CA 1.913 64.586 63.100 -0.712 0.000 0.879 322 P CB 0.212 31.721 31.700 -0.319 0.000 0.786 323 W N 1.150 122.192 121.300 -0.429 0.000 2.302 323 W HA -0.273 4.390 4.660 0.004 0.000 0.320 323 W C 1.375 177.758 176.519 -0.226 0.000 1.241 323 W CA 1.611 58.820 57.345 -0.228 0.000 1.264 323 W CB -0.458 28.985 29.460 -0.028 0.000 1.154 323 W HN -0.042 nan 8.180 nan 0.000 0.483 324 D N -0.543 119.850 120.400 -0.011 0.000 2.117 324 D HA -0.196 4.447 4.640 0.004 0.000 0.197 324 D C 2.086 178.306 176.300 -0.132 0.000 0.987 324 D CA 2.372 56.340 54.000 -0.053 0.000 0.829 324 D CB -0.880 39.937 40.800 0.028 0.000 0.961 324 D HN 0.017 nan 8.370 nan 0.000 0.460 325 T N -0.274 114.129 114.554 -0.251 0.000 2.720 325 T HA -0.176 4.176 4.350 0.004 0.000 0.268 325 T C 1.610 176.318 174.700 0.013 0.000 1.037 325 T CA 1.140 63.099 62.100 -0.234 0.000 1.144 325 T CB -0.495 68.098 68.868 -0.458 0.000 0.864 325 T HN 0.389 nan 8.240 nan 0.000 0.444 326 W N 2.284 123.687 121.300 0.170 0.000 2.355 326 W HA -0.126 4.536 4.660 0.003 0.000 0.309 326 W C 2.514 179.200 176.519 0.278 0.000 1.206 326 W CA 0.621 58.134 57.345 0.280 0.000 1.284 326 W CB -0.188 29.524 29.460 0.420 0.000 1.145 326 W HN 0.288 nan 8.180 nan 0.000 0.502 327 K N 0.773 121.384 120.400 0.351 0.000 2.103 327 K HA -0.093 4.229 4.320 0.004 0.000 0.204 327 K C 1.779 178.401 176.600 0.036 0.000 1.052 327 K CA 1.244 57.644 56.287 0.188 0.000 0.945 327 K CB -0.803 31.662 32.500 -0.059 0.000 0.722 327 K HN 0.268 nan 8.250 nan 0.000 0.443 328 Q N 1.011 120.816 119.800 0.007 0.000 2.050 328 Q HA -0.106 4.236 4.340 0.004 0.000 0.202 328 Q C 2.372 178.325 176.000 -0.079 0.000 0.980 328 Q CA 1.889 57.662 55.803 -0.050 0.000 0.840 328 Q CB -0.313 28.384 28.738 -0.067 0.000 0.898 328 Q HN 0.522 nan 8.270 nan 0.000 0.424 329 A N 0.140 122.949 122.820 -0.018 0.000 1.930 329 A HA -0.171 4.151 4.320 0.004 0.000 0.217 329 A C 1.853 179.359 177.584 -0.131 0.000 1.175 329 A CA 0.902 52.890 52.037 -0.081 0.000 0.627 329 A CB -0.736 18.297 19.000 0.055 0.000 0.815 329 A HN 0.449 nan 8.150 nan 0.000 0.443 330 F N 1.000 120.819 119.950 -0.218 0.000 2.095 330 F HA 0.081 4.610 4.527 0.003 0.000 0.298 330 F C 1.720 177.403 175.800 -0.195 0.000 1.104 330 F CA 0.527 58.316 58.000 -0.351 0.000 1.232 330 F CB -0.383 38.227 39.000 -0.649 0.000 0.987 330 F HN 0.290 nan 8.300 nan 0.000 0.475 334 H N -0.863 117.974 119.070 -0.388 0.000 2.539 334 H HA 0.334 4.892 4.556 0.004 0.000 0.267 334 H C 0.954 176.272 175.328 -0.017 0.000 0.982 334 H CA 1.643 57.608 56.048 -0.138 0.000 1.146 334 H CB -0.018 29.812 29.762 0.114 0.000 1.382 334 H HN 0.763 nan 8.280 nan 0.000 0.577 335 F N -4.222 115.626 119.950 -0.170 0.000 2.801 335 F HA 0.300 4.830 4.527 0.004 0.000 0.381 335 F C -0.044 175.682 175.800 -0.124 0.000 0.861 335 F CA -0.610 57.308 58.000 -0.136 0.000 1.039 335 F CB 0.579 39.455 39.000 -0.207 0.000 1.041 335 F HN -0.160 nan 8.300 nan 0.000 0.596 336 N N 2.814 121.105 118.700 -0.682 0.000 2.703 336 N HA 0.336 5.078 4.740 0.004 0.000 0.283 336 N C -2.023 173.143 175.510 -0.573 0.000 1.851 336 N CA -2.200 50.550 53.050 -0.499 0.000 0.826 336 N CB 0.692 38.758 38.487 -0.702 0.000 1.239 336 N HN 0.023 nan 8.380 nan 0.000 0.495 337 P HA -0.112 nan 4.420 nan 0.000 0.217 337 P C 0.484 177.512 177.300 -0.453 0.000 1.148 337 P CA 1.090 63.903 63.100 -0.478 0.000 0.828 337 P CB 0.619 32.069 31.700 -0.417 0.000 0.783 338 D N -0.074 120.105 120.400 -0.369 0.000 2.123 338 D HA -0.124 4.519 4.640 0.004 0.000 0.196 338 D C 1.922 178.009 176.300 -0.355 0.000 0.992 338 D CA 1.061 54.873 54.000 -0.313 0.000 0.833 338 D CB -0.605 40.060 40.800 -0.224 0.000 0.954 338 D HN 0.192 nan 8.370 nan 0.000 0.455 339 I N 0.883 121.155 120.570 -0.495 0.000 2.617 339 I HA -0.048 4.124 4.170 0.004 0.000 0.256 339 I C 2.326 178.188 176.117 -0.425 0.000 1.167 339 I CA 0.270 61.227 61.300 -0.570 0.000 1.469 339 I CB -0.597 36.779 38.000 -1.040 0.000 1.098 339 I HN -0.121 nan 8.210 nan 0.000 0.436 340 A N 0.639 123.188 122.820 -0.453 0.000 1.883 340 A HA -0.234 4.088 4.320 0.004 0.000 0.217 340 A C 2.348 179.772 177.584 -0.266 0.000 1.186 340 A CA 1.714 53.531 52.037 -0.367 0.000 0.624 340 A CB -0.501 18.228 19.000 -0.450 0.000 0.822 340 A HN 0.345 nan 8.150 nan 0.000 0.444 341 K N -0.563 119.601 120.400 -0.392 0.000 2.057 341 K HA -0.132 4.190 4.320 0.004 0.000 0.207 341 K C 2.009 178.586 176.600 -0.037 0.000 1.049 341 K CA 1.334 57.387 56.287 -0.390 0.000 0.931 341 K CB -0.176 31.916 32.500 -0.680 0.000 0.714 341 K HN 0.430 nan 8.250 nan 0.000 0.440 342 E N 0.979 121.136 120.200 -0.072 0.000 2.077 342 E HA -0.199 4.154 4.350 0.004 0.000 0.193 342 E C 1.847 178.470 176.600 0.038 0.000 0.989 342 E CA 0.974 57.396 56.400 0.037 0.000 0.800 342 E CB -0.336 29.397 29.700 0.055 0.000 0.746 342 E HN 0.237 nan 8.360 nan 0.000 0.452 343 N N 1.117 119.813 118.700 -0.006 0.000 2.104 343 N HA -0.146 4.596 4.740 0.004 0.000 0.190 343 N C 1.748 177.294 175.510 0.060 0.000 1.024 343 N CA 0.899 53.956 53.050 0.012 0.000 0.853 343 N CB -0.184 38.278 38.487 -0.042 0.000 1.008 343 N HN 0.067 nan 8.380 nan 0.000 0.424 344 I N 0.884 121.551 120.570 0.161 0.000 2.226 344 I HA -0.181 3.991 4.170 0.004 0.000 0.245 344 I C 2.234 178.518 176.117 0.278 0.000 1.100 344 I CA 0.999 62.515 61.300 0.360 0.000 1.374 344 I CB -0.937 37.390 38.000 0.546 0.000 1.057 344 I HN 0.243 nan 8.210 nan 0.000 0.413 345 R N 0.702 121.247 120.500 0.074 0.000 2.081 345 R HA -0.127 4.215 4.340 0.004 0.000 0.235 345 R C 2.420 178.464 176.300 -0.428 0.000 1.131 345 R CA 1.522 57.451 56.100 -0.285 0.000 0.960 345 R CB -0.422 29.473 30.300 -0.675 0.000 0.856 345 R HN 0.362 nan 8.270 nan 0.000 0.436 346 A N 0.738 123.427 122.820 -0.218 0.000 1.883 346 A HA -0.159 4.163 4.320 0.004 0.000 0.217 346 A C 2.369 179.971 177.584 0.030 0.000 1.186 346 A CA 1.741 53.793 52.037 0.025 0.000 0.624 346 A CB -0.699 18.385 19.000 0.141 0.000 0.822 346 A HN 0.132 nan 8.150 nan 0.000 0.444 347 V N -1.614 118.263 119.914 -0.062 0.000 2.343 347 V HA -0.222 3.901 4.120 0.004 0.000 0.247 347 V C 2.242 178.190 176.094 -0.244 0.000 1.051 347 V CA 1.992 64.165 62.300 -0.212 0.000 1.036 347 V CB -0.915 30.673 31.823 -0.392 0.000 0.654 347 V HN 0.548 nan 8.190 nan 0.000 0.451 348 F N 1.014 120.924 119.950 -0.067 0.000 2.558 348 F HA -0.058 4.471 4.527 0.003 0.000 0.298 348 F C 2.612 178.348 175.800 -0.108 0.000 1.119 348 F CA 1.020 58.960 58.000 -0.100 0.000 1.451 348 F CB -0.573 38.362 39.000 -0.108 0.000 1.091 348 F HN 0.247 nan 8.300 nan 0.000 0.563 349 S N -1.706 114.011 115.700 0.029 0.000 2.442 349 S HA -0.224 4.248 4.470 0.004 0.000 0.236 349 S C 1.186 175.668 174.600 -0.196 0.000 1.007 349 S CA 0.677 58.852 58.200 -0.042 0.000 0.965 349 S CB -0.724 62.539 63.200 0.105 0.000 0.773 349 S HN 0.513 nan 8.310 nan 0.000 0.504 350 W N 2.045 123.381 121.300 0.060 0.000 2.926 350 W HA 0.459 5.121 4.660 0.003 0.000 0.419 350 W C 0.526 177.057 176.519 0.020 0.000 0.993 350 W CA -0.941 56.460 57.345 0.094 0.000 2.025 350 W CB 0.103 29.665 29.460 0.170 0.000 1.152 350 W HN 0.300 nan 8.180 nan 0.000 0.659 351 Q N 1.455 121.313 119.800 0.097 0.000 2.337 351 Q HA 0.062 4.404 4.340 0.004 0.000 0.270 351 Q C 0.501 176.563 176.000 0.103 0.000 1.002 351 Q CA -0.094 55.729 55.803 0.034 0.000 0.888 351 Q CB 0.661 29.453 28.738 0.091 0.000 1.222 351 Q HN -0.080 nan 8.270 nan 0.000 0.400 352 I N 4.314 124.959 120.570 0.125 0.000 2.668 352 I HA -0.050 4.122 4.170 0.004 0.000 0.285 352 I C 0.393 176.581 176.117 0.119 0.000 1.168 352 I CA 0.601 61.997 61.300 0.161 0.000 1.424 352 I CB 0.218 38.333 38.000 0.192 0.000 1.377 352 I HN 0.702 nan 8.210 nan 0.000 0.560 353 Q N 7.191 127.050 119.800 0.100 0.000 2.248 353 Q HA 0.483 4.825 4.340 0.004 0.000 0.263 353 Q C -2.238 173.806 176.000 0.074 0.000 1.007 353 Q CA -2.075 53.771 55.803 0.073 0.000 0.877 353 Q CB 0.909 29.672 28.738 0.041 0.000 1.315 353 Q HN 0.310 nan 8.270 nan 0.000 0.454 354 P HA 0.020 nan 4.420 nan 0.000 0.264 354 P C 0.429 177.759 177.300 0.049 0.000 1.183 354 P CA 1.099 64.234 63.100 0.059 0.000 0.763 354 P CB 0.280 32.009 31.700 0.049 0.000 0.807 355 G N 1.852 110.681 108.800 0.048 0.000 2.143 355 G HA2 -0.265 3.697 3.960 0.004 0.000 0.248 355 G HA3 -0.265 3.697 3.960 0.004 0.000 0.248 355 G C 0.121 175.048 174.900 0.046 0.000 0.991 355 G CA 0.068 45.192 45.100 0.040 0.000 0.689 355 G HN 0.670 nan 8.290 nan 0.000 0.522 356 D N 0.291 120.728 120.400 0.061 0.000 2.506 356 D HA 0.367 5.010 4.640 0.004 0.000 0.234 356 D C 1.936 178.273 176.300 0.061 0.000 1.143 356 D CA 1.041 55.085 54.000 0.073 0.000 0.871 356 D CB 0.619 41.479 40.800 0.099 0.000 1.190 356 D HN 0.418 nan 8.370 nan 0.000 0.459 357 S N 1.636 117.372 115.700 0.060 0.000 2.447 357 S HA -0.111 4.361 4.470 0.004 0.000 0.233 357 S C 1.526 176.150 174.600 0.040 0.000 1.006 357 S CA 0.854 59.080 58.200 0.043 0.000 0.957 357 S CB 0.021 63.243 63.200 0.037 0.000 0.773 357 S HN 0.367 nan 8.310 nan 0.000 0.507 358 V N 1.716 121.661 119.914 0.053 0.000 2.627 358 V HA 0.232 4.355 4.120 0.004 0.000 0.239 358 V C 1.241 177.359 176.094 0.040 0.000 1.077 358 V CA 0.884 63.210 62.300 0.044 0.000 1.103 358 V CB -0.385 31.470 31.823 0.053 0.000 0.802 358 V HN 0.649 nan 8.190 nan 0.000 0.482 359 R N 1.064 121.595 120.500 0.051 0.000 2.644 359 R HA 0.320 4.662 4.340 0.004 0.000 0.271 359 R C -2.430 173.901 176.300 0.052 0.000 1.687 359 R CA -1.364 54.756 56.100 0.033 0.000 1.655 359 R CB 0.578 30.875 30.300 -0.006 0.000 1.285 359 R HN 0.211 nan 8.270 nan 0.000 0.643 360 P HA -0.222 nan 4.420 nan 0.000 0.225 360 P C 0.687 178.027 177.300 0.067 0.000 1.148 360 P CA 1.055 64.191 63.100 0.059 0.000 0.779 360 P CB 0.402 32.129 31.700 0.045 0.000 0.780 361 Q N -0.612 119.222 119.800 0.056 0.000 2.444 361 Q HA -0.009 4.333 4.340 0.004 0.000 0.206 361 Q C 0.065 176.139 176.000 0.123 0.000 0.948 361 Q CA 0.876 56.716 55.803 0.061 0.000 0.946 361 Q CB -0.488 28.265 28.738 0.024 0.000 1.027 361 Q HN 0.194 nan 8.270 nan 0.000 0.513 362 D N 1.227 121.716 120.400 0.148 0.000 2.772 362 D HA 0.179 4.821 4.640 0.004 0.000 0.272 362 D C -0.525 175.942 176.300 0.278 0.000 1.314 362 D CA -0.276 53.885 54.000 0.267 0.000 0.835 362 D CB 0.990 41.796 40.800 0.010 0.000 1.080 362 D HN -0.029 nan 8.370 nan 0.000 0.482 363 V N 0.464 120.536 119.914 0.264 0.000 2.557 363 V HA 0.233 4.355 4.120 0.004 0.000 0.301 363 V C 1.716 177.985 176.094 0.292 0.000 1.026 363 V CA 1.457 63.891 62.300 0.223 0.000 1.137 363 V CB 0.748 32.675 31.823 0.174 0.000 0.917 363 V HN 0.617 nan 8.190 nan 0.000 0.484 364 G N 4.640 113.561 108.800 0.203 0.000 2.234 364 G HA2 -0.273 3.689 3.960 0.004 0.000 0.235 364 G HA3 -0.273 3.689 3.960 0.004 0.000 0.235 364 G C 0.099 175.042 174.900 0.072 0.000 0.997 364 G CA 0.111 45.351 45.100 0.234 0.000 0.623 364 G HN 0.840 nan 8.290 nan 0.000 0.514 365 F N 2.099 121.764 119.950 -0.475 0.000 2.563 365 F HA 0.504 5.034 4.527 0.004 0.000 0.363 365 F C 0.406 175.894 175.800 -0.520 0.000 1.123 365 F CA -0.100 57.312 58.000 -0.980 0.000 1.307 365 F CB 1.019 39.392 39.000 -1.045 0.000 1.115 365 F HN 0.076 nan 8.300 nan 0.000 0.592 366 V N 8.006 127.097 119.914 -1.372 0.000 2.357 366 V HA 0.307 4.429 4.120 0.004 0.000 0.284 366 V C -2.122 173.128 176.094 -1.406 0.000 1.018 366 V CA -2.029 59.583 62.300 -1.146 0.000 0.841 366 V CB 1.346 32.466 31.823 -1.172 0.000 0.991 366 V HN 0.680 nan 8.190 nan 0.000 0.437 367 P HA 0.004 nan 4.420 nan 0.000 0.265 367 P C 0.555 177.544 177.300 -0.519 0.000 1.187 367 P CA 0.267 62.994 63.100 -0.623 0.000 0.766 367 P CB 0.701 32.151 31.700 -0.417 0.000 0.820 368 D N 3.246 123.469 120.400 -0.296 0.000 2.144 368 D HA -0.090 4.552 4.640 0.004 0.000 0.199 368 D C 0.065 176.083 176.300 -0.470 0.000 0.984 368 D CA 1.255 55.150 54.000 -0.175 0.000 0.834 368 D CB 0.049 40.881 40.800 0.053 0.000 0.955 368 D HN 0.182 nan 8.370 nan 0.000 0.465 369 L N 0.694 121.518 121.223 -0.665 0.000 2.516 369 L HA 0.368 4.710 4.340 0.004 0.000 0.267 369 L C -1.308 174.877 176.870 -1.141 0.000 0.957 369 L CA -0.882 53.346 54.840 -1.020 0.000 0.860 369 L CB 1.535 42.986 42.059 -1.013 0.000 1.265 369 L HN 0.081 nan 8.230 nan 0.000 0.403 370 I N 2.044 121.950 120.570 -1.106 0.000 2.693 370 I HA 1.027 5.199 4.170 0.004 0.000 0.303 370 I C -0.576 175.156 176.117 -0.642 0.000 1.025 370 I CA -0.407 60.056 61.300 -1.396 0.000 1.086 370 I CB 2.034 39.335 38.000 -1.164 0.000 1.268 370 I HN 0.659 nan 8.210 nan 0.000 0.440 371 A N 4.002 126.675 122.820 -0.246 0.000 2.493 371 A HA 0.285 4.607 4.320 0.004 0.000 0.300 371 A C -0.148 177.612 177.584 0.293 0.000 1.152 371 A CA -0.683 51.398 52.037 0.073 0.000 0.643 371 A CB 0.337 19.367 19.000 0.051 0.000 1.316 371 A HN 1.020 nan 8.150 nan 0.000 0.469 372 W N 1.236 122.612 121.300 0.127 0.000 2.304 372 W HA -0.119 4.543 4.660 0.003 0.000 0.315 372 W C -0.339 176.210 176.519 0.051 0.000 1.233 372 W CA 2.194 59.597 57.345 0.095 0.000 1.261 372 W CB -0.169 29.325 29.460 0.057 0.000 1.150 372 W HN 0.614 nan 8.180 nan 0.000 0.494 373 N N 1.282 120.209 118.700 0.379 0.000 2.419 373 N HA 0.218 4.960 4.740 0.004 0.000 0.277 373 N C -0.366 175.154 175.510 0.015 0.000 1.006 373 N CA -0.238 52.923 53.050 0.185 0.000 0.923 373 N CB 1.560 40.143 38.487 0.160 0.000 1.140 373 N HN -0.102 nan 8.380 nan 0.000 0.488 374 L N 1.103 122.154 121.223 -0.286 0.000 2.464 374 L HA 0.088 4.430 4.340 0.004 0.000 0.264 374 L C 1.430 178.029 176.870 -0.451 0.000 1.199 374 L CA -0.229 54.147 54.840 -0.774 0.000 0.818 374 L CB 0.358 41.923 42.059 -0.823 0.000 1.102 374 L HN 0.575 nan 8.230 nan 0.000 0.473 375 S N 0.973 116.331 115.700 -0.570 0.000 2.600 375 S HA 0.187 4.659 4.470 0.004 0.000 0.265 375 S C -1.936 172.548 174.600 -0.193 0.000 1.325 375 S CA -1.065 57.004 58.200 -0.219 0.000 1.002 375 S CB 0.786 63.915 63.200 -0.118 0.000 0.921 375 S HN 0.408 nan 8.310 nan 0.000 0.554 376 P HA -0.050 nan 4.420 nan 0.000 0.218 376 P C 0.923 178.176 177.300 -0.079 0.000 1.148 376 P CA 1.065 64.120 63.100 -0.075 0.000 0.822 376 P CB -0.023 31.656 31.700 -0.035 0.000 0.784 377 E N -0.797 119.358 120.200 -0.076 0.000 2.204 377 E HA -0.113 4.239 4.350 0.004 0.000 0.195 377 E C 1.447 177.992 176.600 -0.092 0.000 0.990 377 E CA 0.961 57.325 56.400 -0.060 0.000 0.821 377 E CB -0.450 29.230 29.700 -0.032 0.000 0.750 377 E HN 0.256 nan 8.360 nan 0.000 0.477 378 R N -1.208 119.187 120.500 -0.176 0.000 2.468 378 R HA 0.276 4.618 4.340 0.004 0.000 0.280 378 R C 0.571 176.766 176.300 -0.176 0.000 0.963 378 R CA 0.494 56.473 56.100 -0.200 0.000 1.083 378 R CB 0.893 30.964 30.300 -0.382 0.000 1.200 378 R HN 0.243 nan 8.270 nan 0.000 0.541 379 G N -0.110 108.609 108.800 -0.136 0.000 2.176 379 G HA2 -0.225 3.737 3.960 0.004 0.000 0.232 379 G HA3 -0.225 3.737 3.960 0.004 0.000 0.232 379 G C 0.349 175.186 174.900 -0.105 0.000 0.986 379 G CA -0.271 44.769 45.100 -0.100 0.000 0.643 379 G HN 0.532 nan 8.290 nan 0.000 0.522 380 G N -0.162 108.548 108.800 -0.149 0.000 2.795 380 G HA2 0.576 4.538 3.960 0.004 0.000 0.267 380 G HA3 0.576 4.538 3.960 0.004 0.000 0.267 380 G C 0.204 175.051 174.900 -0.087 0.000 1.362 380 G CA 0.604 45.634 45.100 -0.117 0.000 1.048 380 G HN 0.582 nan 8.290 nan 0.000 0.547 381 D N -1.484 118.877 120.400 -0.064 0.000 2.571 381 D HA 0.215 4.857 4.640 0.004 0.000 0.239 381 D C 0.895 177.150 176.300 -0.074 0.000 1.267 381 D CA -0.281 53.681 54.000 -0.063 0.000 0.823 381 D CB 0.038 40.806 40.800 -0.053 0.000 1.056 381 D HN 0.548 nan 8.370 nan 0.000 0.494 382 G N -0.332 108.437 108.800 -0.053 0.000 2.403 382 G HA2 0.428 4.390 3.960 0.004 0.000 0.259 382 G HA3 0.428 4.390 3.960 0.004 0.000 0.259 382 G C 0.919 175.805 174.900 -0.024 0.000 1.244 382 G CA -0.348 44.742 45.100 -0.017 0.000 0.849 382 G HN 0.199 nan 8.290 nan 0.000 0.532 383 G N 1.004 109.743 108.800 -0.102 0.000 2.921 383 G HA2 -0.046 3.916 3.960 0.004 0.000 0.213 383 G HA3 -0.046 3.916 3.960 0.004 0.000 0.213 383 G C 1.173 176.241 174.900 0.280 0.000 1.143 383 G CA 0.026 45.077 45.100 -0.081 0.000 0.764 383 G HN 0.620 nan 8.290 nan 0.000 0.542 384 N N -0.879 117.972 118.700 0.253 0.000 2.387 384 N HA 0.029 4.771 4.740 0.004 0.000 0.176 384 N C 0.575 176.157 175.510 0.121 0.000 1.022 384 N CA -0.515 52.686 53.050 0.252 0.000 0.883 384 N CB 0.110 38.720 38.487 0.205 0.000 1.019 384 N HN 0.265 nan 8.380 nan 0.000 0.435 385 W N 3.283 124.546 121.300 -0.062 0.000 2.513 385 W HA -0.064 4.598 4.660 0.004 0.000 0.339 385 W C -0.293 176.182 176.519 -0.074 0.000 1.257 385 W CA 0.745 58.010 57.345 -0.134 0.000 1.280 385 W CB -0.432 28.930 29.460 -0.164 0.000 1.214 385 W HN 0.077 nan 8.180 nan 0.000 0.567 386 N N 3.966 122.572 118.700 -0.158 0.000 2.295 386 N HA 0.197 4.939 4.740 0.004 0.000 0.293 386 N C -0.664 174.876 175.510 0.050 0.000 1.040 386 N CA -0.311 52.756 53.050 0.028 0.000 0.840 386 N CB 1.406 39.903 38.487 0.017 0.000 1.468 386 N HN 0.417 nan 8.380 nan 0.000 0.478 387 E N 1.621 121.950 120.200 0.214 0.000 2.812 387 E HA 0.207 4.559 4.350 0.004 0.000 0.211 387 E C 0.494 177.254 176.600 0.266 0.000 0.986 387 E CA 0.020 56.620 56.400 0.333 0.000 1.119 387 E CB 0.587 30.495 29.700 0.346 0.000 1.046 387 E HN 0.485 nan 8.360 nan 0.000 0.474 388 R N 1.392 122.057 120.500 0.275 0.000 2.236 388 R HA 0.031 4.373 4.340 0.004 0.000 0.208 388 R C 0.726 177.298 176.300 0.455 0.000 1.036 388 R CA 0.798 57.073 56.100 0.292 0.000 1.001 388 R CB -0.029 30.479 30.300 0.347 0.000 0.896 388 R HN 0.248 nan 8.270 nan 0.000 0.464 389 N N -2.148 116.853 118.700 0.502 0.000 3.261 389 N HA 0.040 4.782 4.740 0.004 0.000 0.248 389 N C -0.947 174.872 175.510 0.515 0.000 1.498 389 N CA -0.545 52.828 53.050 0.538 0.000 0.884 389 N CB 1.538 40.304 38.487 0.465 0.000 1.428 389 N HN -0.199 nan 8.380 nan 0.000 0.517 390 T N -1.061 113.733 114.554 0.400 0.000 2.602 390 T HA 0.564 4.916 4.350 0.004 0.000 0.235 390 T C -1.211 173.642 174.700 0.254 0.000 0.882 390 T CA -0.157 62.018 62.100 0.126 0.000 1.123 390 T CB 0.784 69.586 68.868 -0.110 0.000 1.662 390 T HN 0.458 nan 8.240 nan 0.000 0.536 391 K N 0.594 121.193 120.400 0.331 0.000 2.469 391 K HA 0.527 4.849 4.320 0.004 0.000 0.268 391 K C -2.875 173.942 176.600 0.362 0.000 1.027 391 K CA -2.116 54.312 56.287 0.236 0.000 0.893 391 K CB 1.268 33.872 32.500 0.173 0.000 1.460 391 K HN 0.305 nan 8.250 nan 0.000 0.449 392 P HA 0.028 nan 4.420 nan 0.000 0.266 392 P C -0.628 176.730 177.300 0.096 0.000 1.195 392 P CA 0.160 63.167 63.100 -0.155 0.000 0.768 392 P CB 0.527 31.706 31.700 -0.869 0.000 0.838 393 S N 2.850 118.587 115.700 0.062 0.000 2.420 393 S HA 0.361 4.834 4.470 0.004 0.000 0.313 393 S C 0.181 174.759 174.600 -0.036 0.000 1.079 393 S CA -0.513 57.810 58.200 0.204 0.000 1.104 393 S CB -0.706 62.597 63.200 0.172 0.000 0.969 393 S HN 0.352 nan 8.310 nan 0.000 0.471 394 L N 4.526 125.696 121.223 -0.089 0.000 3.202 394 L HA 0.351 4.693 4.340 0.004 0.000 0.278 394 L C 1.786 178.506 176.870 -0.250 0.000 1.268 394 L CA -0.134 54.701 54.840 -0.009 0.000 1.034 394 L CB -0.066 42.099 42.059 0.177 0.000 1.407 394 L HN 0.800 nan 8.230 nan 0.000 0.581 395 A N 0.532 122.828 122.820 -0.873 0.000 1.883 395 A HA -0.188 4.134 4.320 0.004 0.000 0.217 395 A C 2.453 179.869 177.584 -0.280 0.000 1.186 395 A CA 1.990 53.353 52.037 -1.123 0.000 0.624 395 A CB -0.295 18.208 19.000 -0.829 0.000 0.822 395 A HN 0.437 nan 8.150 nan 0.000 0.444 396 A N -1.515 121.257 122.820 -0.079 0.000 1.902 396 A HA -0.160 4.162 4.320 0.004 0.000 0.217 396 A C 1.992 179.548 177.584 -0.046 0.000 1.181 396 A CA 1.655 53.685 52.037 -0.011 0.000 0.623 396 A CB -1.001 18.054 19.000 0.092 0.000 0.818 396 A HN 0.922 nan 8.150 nan 0.000 0.443 397 W N 0.827 122.007 121.300 -0.201 0.000 2.335 397 W HA -0.212 4.450 4.660 0.003 0.000 0.311 397 W C 2.575 179.082 176.519 -0.020 0.000 1.213 397 W CA 2.154 59.292 57.345 -0.344 0.000 1.274 397 W CB -0.522 28.962 29.460 0.040 0.000 1.148 397 W HN 0.263 nan 8.180 nan 0.000 0.498 398 S N -0.109 115.677 115.700 0.145 0.000 2.355 398 S HA -0.103 4.369 4.470 0.004 0.000 0.222 398 S C 1.103 175.739 174.600 0.060 0.000 1.031 398 S CA 1.159 59.400 58.200 0.070 0.000 0.993 398 S CB -0.932 62.487 63.200 0.366 0.000 0.859 398 S HN -0.053 nan 8.310 nan 0.000 0.453 402 V N 1.458 121.226 119.914 -0.244 0.000 2.407 402 V HA -0.198 3.924 4.120 0.004 0.000 0.248 402 V C 2.099 178.047 176.094 -0.244 0.000 1.055 402 V CA 2.199 64.281 62.300 -0.363 0.000 1.049 402 V CB -0.589 30.914 31.823 -0.534 0.000 0.662 402 V HN 0.409 nan 8.190 nan 0.000 0.455 403 Y N 1.826 122.081 120.300 -0.075 0.000 2.200 403 Y HA -0.195 4.357 4.550 0.004 0.000 0.290 403 Y C 2.499 178.347 175.900 -0.087 0.000 1.137 403 Y CA 1.751 59.852 58.100 0.000 0.000 1.163 403 Y CB -0.412 38.112 38.460 0.108 0.000 0.988 403 Y HN 0.278 nan 8.280 nan 0.000 0.518 404 N N -0.094 118.523 118.700 -0.139 0.000 2.137 404 N HA -0.182 4.560 4.740 0.004 0.000 0.190 404 N C 1.877 177.210 175.510 -0.295 0.000 1.017 404 N CA 1.774 54.700 53.050 -0.206 0.000 0.859 404 N CB -0.469 37.959 38.487 -0.098 0.000 1.002 404 N HN 0.341 nan 8.380 nan 0.000 0.428 405 V N 0.464 120.167 119.914 -0.352 0.000 2.379 405 V HA -0.105 4.018 4.120 0.004 0.000 0.243 405 V C 2.458 178.362 176.094 -0.317 0.000 1.035 405 V CA 2.031 64.118 62.300 -0.355 0.000 1.035 405 V CB -0.757 30.770 31.823 -0.494 0.000 0.673 405 V HN 0.494 nan 8.190 nan 0.000 0.457 406 T N -2.915 111.432 114.554 -0.344 0.000 3.035 406 T HA -0.076 4.277 4.350 0.004 0.000 0.259 406 T C 1.102 175.625 174.700 -0.295 0.000 1.078 406 T CA 0.712 62.639 62.100 -0.288 0.000 1.132 406 T CB -0.182 68.520 68.868 -0.277 0.000 0.900 406 T HN 0.502 nan 8.240 nan 0.000 0.480 407 Q N 0.851 120.343 119.800 -0.514 0.000 2.480 407 Q HA -0.164 4.178 4.340 0.004 0.000 0.265 407 Q C -0.805 175.077 176.000 -0.197 0.000 1.072 407 Q CA 0.746 56.145 55.803 -0.673 0.000 1.018 407 Q CB -1.607 26.903 28.738 -0.380 0.000 1.433 407 Q HN 0.618 nan 8.270 nan 0.000 0.513 408 D N 0.461 120.862 120.400 0.002 0.000 2.411 408 D HA 0.124 4.766 4.640 0.004 0.000 0.225 408 D C 0.737 177.264 176.300 0.378 0.000 1.156 408 D CA -0.032 54.070 54.000 0.170 0.000 0.874 408 D CB 0.718 41.578 40.800 0.100 0.000 1.034 408 D HN 0.120 nan 8.370 nan 0.000 0.502 409 K N 1.116 121.693 120.400 0.295 0.000 2.209 409 K HA -0.112 4.210 4.320 0.004 0.000 0.204 409 K C 1.858 178.506 176.600 0.079 0.000 1.048 409 K CA 1.400 57.789 56.287 0.169 0.000 0.940 409 K CB 0.035 32.587 32.500 0.086 0.000 0.729 409 K HN 0.512 nan 8.250 nan 0.000 0.451 410 T N -1.278 113.340 114.554 0.107 0.000 2.962 410 T HA -0.177 4.175 4.350 0.004 0.000 0.270 410 T C 1.558 176.326 174.700 0.113 0.000 1.088 410 T CA 0.331 62.476 62.100 0.075 0.000 1.127 410 T CB -0.357 68.555 68.868 0.075 0.000 0.883 410 T HN 0.504 nan 8.240 nan 0.000 0.493 411 W N 1.664 122.958 121.300 -0.010 0.000 2.409 411 W HA -0.088 4.574 4.660 0.004 0.000 0.299 411 W C 1.557 178.044 176.519 -0.054 0.000 1.203 411 W CA 0.473 57.803 57.345 -0.024 0.000 1.298 411 W CB -0.204 29.256 29.460 0.001 0.000 1.127 411 W HN 0.144 nan 8.180 nan 0.000 0.528 412 V N 2.155 121.963 119.914 -0.177 0.000 2.358 412 V HA -0.276 3.846 4.120 0.004 0.000 0.246 412 V C 2.811 178.726 176.094 -0.299 0.000 1.047 412 V CA 2.276 64.356 62.300 -0.367 0.000 1.035 412 V CB -1.563 30.041 31.823 -0.366 0.000 0.658 412 V HN 0.283 nan 8.190 nan 0.000 0.452 413 A N -0.509 122.193 122.820 -0.196 0.000 1.933 413 A HA -0.194 4.128 4.320 0.004 0.000 0.218 413 A C 1.590 179.089 177.584 -0.141 0.000 1.175 413 A CA 1.307 53.257 52.037 -0.145 0.000 0.628 413 A CB -0.342 18.601 19.000 -0.095 0.000 0.814 413 A HN 0.660 nan 8.150 nan 0.000 0.444 417 P HA -0.109 nan 4.420 nan 0.000 0.218 417 P C 0.648 177.808 177.300 -0.235 0.000 1.149 417 P CA 1.952 64.916 63.100 -0.227 0.000 0.817 417 P CB 0.127 31.777 31.700 -0.082 0.000 0.785 418 K N -0.265 119.948 120.400 -0.313 0.000 2.062 418 K HA 0.002 4.324 4.320 0.004 0.000 0.205 418 K C 2.383 178.810 176.600 -0.289 0.000 1.051 418 K CA 0.936 57.015 56.287 -0.347 0.000 0.941 418 K CB -0.532 31.550 32.500 -0.697 0.000 0.719 418 K HN 0.150 nan 8.250 nan 0.000 0.440 419 L N 0.703 121.682 121.223 -0.407 0.000 2.093 419 L HA -0.167 4.176 4.340 0.004 0.000 0.208 419 L C 2.309 179.158 176.870 -0.036 0.000 1.085 419 L CA 0.768 55.505 54.840 -0.171 0.000 0.755 419 L CB -0.439 41.455 42.059 -0.274 0.000 0.904 419 L HN -0.019 nan 8.230 nan 0.000 0.435 420 V N 0.091 119.866 119.914 -0.232 0.000 2.358 420 V HA -0.270 3.853 4.120 0.004 0.000 0.246 420 V C 2.760 178.930 176.094 0.126 0.000 1.047 420 V CA 1.783 63.996 62.300 -0.144 0.000 1.035 420 V CB -0.861 30.773 31.823 -0.315 0.000 0.658 420 V HN 0.474 nan 8.190 nan 0.000 0.452 421 A N -1.005 121.884 122.820 0.115 0.000 1.933 421 A HA -0.259 4.064 4.320 0.004 0.000 0.218 421 A C 2.197 180.020 177.584 0.399 0.000 1.175 421 A CA 1.976 54.143 52.037 0.218 0.000 0.628 421 A CB -0.705 18.388 19.000 0.155 0.000 0.814 421 A HN 0.595 nan 8.150 nan 0.000 0.444 422 Y N 0.021 120.494 120.300 0.288 0.000 2.200 422 Y HA -0.186 4.366 4.550 0.003 0.000 0.290 422 Y C 2.425 178.668 175.900 0.571 0.000 1.137 422 Y CA 1.671 60.008 58.100 0.395 0.000 1.163 422 Y CB -0.812 37.919 38.460 0.453 0.000 0.988 422 Y HN 0.636 nan 8.280 nan 0.000 0.518 423 H N -0.038 119.286 119.070 0.424 0.000 2.319 423 H HA -0.149 4.409 4.556 0.003 0.000 0.299 423 H C 1.256 176.777 175.328 0.321 0.000 1.092 423 H CA 2.104 58.347 56.048 0.325 0.000 1.302 423 H CB -0.201 29.660 29.762 0.165 0.000 1.373 423 H HN 0.311 nan 8.280 nan 0.000 0.497 424 D N -0.152 120.503 120.400 0.425 0.000 2.178 424 D HA -0.139 4.503 4.640 0.004 0.000 0.202 424 D C 2.050 178.466 176.300 0.194 0.000 0.974 424 D CA 0.780 54.945 54.000 0.275 0.000 0.841 424 D CB -0.834 40.126 40.800 0.267 0.000 0.953 424 D HN 0.519 nan 8.370 nan 0.000 0.478 425 W N 0.588 121.956 121.300 0.113 0.000 2.358 425 W HA -0.185 4.477 4.660 0.003 0.000 0.303 425 W C 1.757 178.253 176.519 -0.037 0.000 1.208 425 W CA 1.199 58.566 57.345 0.036 0.000 1.274 425 W CB -0.701 28.797 29.460 0.063 0.000 1.138 425 W HN -0.028 nan 8.180 nan 0.000 0.515 426 W N 0.383 121.619 121.300 -0.106 0.000 2.338 426 W HA -0.187 4.476 4.660 0.005 0.000 0.304 426 W C 2.333 178.595 176.519 -0.429 0.000 1.212 426 W CA 1.602 58.710 57.345 -0.395 0.000 1.264 426 W CB -1.009 28.316 29.460 -0.224 0.000 1.142 426 W HN -0.185 nan 8.180 nan 0.000 0.512 427 L N -0.250 120.921 121.223 -0.087 0.000 2.201 427 L HA -0.112 4.230 4.340 0.004 0.000 0.212 427 L C 2.443 179.214 176.870 -0.165 0.000 1.105 427 L CA 1.140 55.901 54.840 -0.132 0.000 0.775 427 L CB -0.652 41.338 42.059 -0.116 0.000 0.913 427 L HN 0.014 nan 8.230 nan 0.000 0.440 428 R N -0.293 120.077 120.500 -0.216 0.000 2.090 428 R HA 0.026 4.368 4.340 0.004 0.000 0.219 428 R C 1.285 177.402 176.300 -0.305 0.000 1.100 428 R CA 0.865 56.838 56.100 -0.211 0.000 0.991 428 R CB -0.016 30.194 30.300 -0.150 0.000 0.893 428 R HN 0.314 nan 8.270 nan 0.000 0.443 429 N N -0.284 118.084 118.700 -0.553 0.000 2.220 429 N HA 0.066 4.808 4.740 0.004 0.000 0.195 429 N C 0.142 175.350 175.510 -0.505 0.000 1.123 429 N CA 0.268 52.970 53.050 -0.580 0.000 0.874 429 N CB 0.776 38.775 38.487 -0.815 0.000 0.995 429 N HN -0.112 nan 8.380 nan 0.000 0.498 430 R N 0.459 120.695 120.500 -0.441 0.000 2.734 430 R HA 0.228 4.570 4.340 0.004 0.000 0.395 430 R C -0.898 175.340 176.300 -0.104 0.000 1.096 430 R CA -0.057 55.921 56.100 -0.204 0.000 1.071 430 R CB 0.093 30.358 30.300 -0.059 0.000 1.348 430 R HN -0.006 nan 8.270 nan 0.000 0.600 431 D N -0.640 119.688 120.400 -0.120 0.000 2.621 431 D HA 0.049 4.691 4.640 0.004 0.000 0.274 431 D C 0.921 177.179 176.300 -0.069 0.000 1.215 431 D CA -0.292 53.652 54.000 -0.094 0.000 0.810 431 D CB 0.078 40.804 40.800 -0.123 0.000 1.248 431 D HN 0.132 nan 8.370 nan 0.000 0.517 432 H N 2.127 121.123 119.070 -0.124 0.000 2.321 432 H HA -0.171 4.387 4.556 0.003 0.000 0.295 432 H C 1.293 176.568 175.328 -0.087 0.000 1.102 432 H CA 2.676 58.656 56.048 -0.113 0.000 1.266 432 H CB 0.409 30.106 29.762 -0.109 0.000 1.363 432 H HN 0.301 nan 8.280 nan 0.000 0.492 433 N N -0.295 118.331 118.700 -0.124 0.000 2.268 433 N HA 0.073 4.815 4.740 0.004 0.000 0.204 433 N C 0.907 176.343 175.510 -0.124 0.000 1.124 433 N CA 0.678 53.636 53.050 -0.154 0.000 0.838 433 N CB -0.384 38.079 38.487 -0.040 0.000 0.994 433 N HN 0.500 nan 8.380 nan 0.000 0.489 434 G N 2.094 110.818 108.800 -0.127 0.000 2.390 434 G HA2 -0.365 3.597 3.960 0.004 0.000 0.299 434 G HA3 -0.365 3.597 3.960 0.004 0.000 0.299 434 G C 0.399 175.242 174.900 -0.095 0.000 1.002 434 G CA 0.636 45.670 45.100 -0.111 0.000 0.979 434 G HN 0.727 nan 8.290 nan 0.000 0.513 435 N N -0.532 118.103 118.700 -0.109 0.000 2.230 435 N HA 0.368 5.110 4.740 0.004 0.000 0.202 435 N C 1.599 177.006 175.510 -0.171 0.000 1.119 435 N CA 0.498 53.480 53.050 -0.114 0.000 0.851 435 N CB 0.066 38.493 38.487 -0.100 0.000 0.990 435 N HN 1.485 nan 8.380 nan 0.000 0.497 436 G N -0.663 108.039 108.800 -0.163 0.000 2.179 436 G HA2 -0.243 3.719 3.960 0.004 0.000 0.260 436 G HA3 -0.243 3.719 3.960 0.004 0.000 0.260 436 G C -0.530 174.229 174.900 -0.234 0.000 0.977 436 G CA 0.391 45.391 45.100 -0.167 0.000 0.641 436 G HN 0.316 nan 8.290 nan 0.000 0.533 437 V N 1.815 121.540 119.914 -0.316 0.000 2.313 437 V HA 0.444 4.566 4.120 0.004 0.000 0.278 437 V C -1.659 174.284 176.094 -0.252 0.000 1.017 437 V CA -1.700 60.378 62.300 -0.369 0.000 0.823 437 V CB 1.718 33.136 31.823 -0.674 0.000 1.010 437 V HN 0.075 nan 8.190 nan 0.000 0.443 438 P HA 0.299 nan 4.420 nan 0.000 0.271 438 P C -0.593 176.597 177.300 -0.183 0.000 1.233 438 P CA -0.187 62.807 63.100 -0.177 0.000 0.789 438 P CB 0.763 32.343 31.700 -0.200 0.000 0.951 439 E N -0.445 119.692 120.200 -0.106 0.000 2.336 439 E HA 0.441 4.793 4.350 0.004 0.000 0.267 439 E C -1.015 175.579 176.600 -0.010 0.000 0.906 439 E CA -0.542 55.807 56.400 -0.085 0.000 0.781 439 E CB 0.561 30.258 29.700 -0.005 0.000 1.261 439 E HN 0.273 nan 8.360 nan 0.000 0.436 440 Y N 0.320 120.704 120.300 0.140 0.000 2.301 440 Y HA 0.625 5.177 4.550 0.003 0.000 0.328 440 Y C 1.083 177.072 175.900 0.148 0.000 1.242 440 Y CA 0.546 58.749 58.100 0.173 0.000 1.323 440 Y CB 1.246 39.728 38.460 0.036 0.000 1.266 440 Y HN 0.615 nan 8.280 nan 0.000 0.527 441 G N -0.525 108.502 108.800 0.377 0.000 2.677 441 G HA2 0.723 4.686 3.960 0.004 0.000 0.283 441 G HA3 0.723 4.686 3.960 0.004 0.000 0.283 441 G C -1.875 173.213 174.900 0.313 0.000 1.221 441 G CA -0.203 45.062 45.100 0.275 0.000 0.851 441 G HN 0.829 nan 8.290 nan 0.000 0.504 442 A N -1.054 121.961 122.820 0.326 0.000 2.594 442 A HA 0.915 5.238 4.320 0.004 0.000 0.291 442 A C 0.080 177.915 177.584 0.417 0.000 1.105 442 A CA 0.428 52.687 52.037 0.370 0.000 0.694 442 A CB 1.089 20.213 19.000 0.208 0.000 1.291 442 A HN 1.907 nan 8.150 nan 0.000 0.410 443 T N -1.269 113.529 114.554 0.407 0.000 2.862 443 T HA 0.600 4.952 4.350 0.004 0.000 0.276 443 T C 0.321 175.246 174.700 0.375 0.000 0.974 443 T CA -0.626 61.615 62.100 0.236 0.000 0.966 443 T CB 0.744 69.585 68.868 -0.044 0.000 1.072 443 T HN 0.830 nan 8.240 nan 0.000 0.538 444 R N 0.777 121.377 120.500 0.167 0.000 2.389 444 R HA 0.407 4.749 4.340 0.004 0.000 0.295 444 R C -1.079 175.291 176.300 0.116 0.000 1.075 444 R CA -0.122 56.092 56.100 0.191 0.000 1.005 444 R CB 0.000 30.329 30.300 0.049 0.000 0.987 444 R HN 0.893 nan 8.270 nan 0.000 0.452 445 D N 1.618 122.076 120.400 0.097 0.000 2.609 445 D HA 0.154 4.796 4.640 0.004 0.000 0.239 445 D C -0.044 176.227 176.300 -0.047 0.000 1.229 445 D CA -0.680 53.267 54.000 -0.088 0.000 0.808 445 D CB 1.636 42.175 40.800 -0.435 0.000 1.448 445 D HN 0.429 nan 8.370 nan 0.000 0.433 446 K N 0.596 120.972 120.400 -0.040 0.000 2.280 446 K HA -0.029 4.294 4.320 0.004 0.000 0.202 446 K C 1.381 177.983 176.600 0.004 0.000 1.047 446 K CA 1.150 57.438 56.287 0.001 0.000 0.942 446 K CB -0.008 32.498 32.500 0.011 0.000 0.739 446 K HN 0.349 nan 8.250 nan 0.000 0.457 447 A N 0.181 122.968 122.820 -0.054 0.000 2.178 447 A HA -0.031 4.292 4.320 0.004 0.000 0.211 447 A C 1.219 178.882 177.584 0.131 0.000 1.157 447 A CA 0.632 52.676 52.037 0.012 0.000 0.780 447 A CB -0.342 18.664 19.000 0.011 0.000 0.828 447 A HN 0.351 nan 8.150 nan 0.000 0.476 448 H N -0.955 118.135 119.070 0.035 0.000 2.639 448 H HA 0.122 4.680 4.556 0.004 0.000 0.267 448 H C -0.089 175.255 175.328 0.027 0.000 0.958 448 H CA 0.226 56.268 56.048 -0.010 0.000 1.221 448 H CB 0.270 30.044 29.762 0.019 0.000 1.446 448 H HN 0.741 nan 8.280 nan 0.000 0.512 449 N N -0.255 118.559 118.700 0.190 0.000 2.825 449 N HA 0.122 4.864 4.740 0.004 0.000 0.253 449 N C -0.518 175.051 175.510 0.098 0.000 1.426 449 N CA -0.695 52.450 53.050 0.159 0.000 0.851 449 N CB 1.208 39.836 38.487 0.236 0.000 1.470 449 N HN -0.025 nan 8.380 nan 0.000 0.517 450 T N -2.621 111.981 114.554 0.080 0.000 2.698 450 T HA 0.203 4.555 4.350 0.004 0.000 0.295 450 T C 0.787 175.518 174.700 0.053 0.000 1.007 450 T CA -0.249 61.883 62.100 0.052 0.000 0.980 450 T CB 0.406 69.298 68.868 0.040 0.000 1.036 450 T HN 0.585 nan 8.240 nan 0.000 0.526 451 E N 0.458 120.681 120.200 0.038 0.000 2.118 451 E HA -0.128 4.224 4.350 0.004 0.000 0.195 451 E C 2.255 178.876 176.600 0.036 0.000 0.992 451 E CA 1.492 57.912 56.400 0.034 0.000 0.804 451 E CB -0.219 29.496 29.700 0.025 0.000 0.741 451 E HN 0.798 nan 8.360 nan 0.000 0.458 452 S N -0.752 114.970 115.700 0.037 0.000 2.603 452 S HA 0.170 4.643 4.470 0.004 0.000 0.220 452 S C 1.484 176.112 174.600 0.046 0.000 0.967 452 S CA 0.282 58.504 58.200 0.037 0.000 0.920 452 S CB 0.507 63.727 63.200 0.034 0.000 0.773 452 S HN 0.394 nan 8.310 nan 0.000 0.529 453 G N 0.493 109.330 108.800 0.061 0.000 2.131 453 G HA2 -0.209 3.754 3.960 0.004 0.000 0.223 453 G HA3 -0.209 3.754 3.960 0.004 0.000 0.223 453 G C -0.192 174.775 174.900 0.111 0.000 0.990 453 G CA 0.046 45.193 45.100 0.079 0.000 0.671 453 G HN 0.581 nan 8.290 nan 0.000 0.521 457 F N -1.099 118.813 119.950 -0.064 0.000 2.708 457 F HA 0.751 5.280 4.527 0.004 0.000 0.309 457 F C -1.391 174.370 175.800 -0.065 0.000 1.120 457 F CA -0.567 57.378 58.000 -0.091 0.000 0.978 457 F CB 1.666 40.614 39.000 -0.088 0.000 1.283 457 F HN 0.217 nan 8.300 nan 0.000 0.439 458 T N 2.762 117.380 114.554 0.107 0.000 2.812 458 T HA 0.627 4.979 4.350 0.004 0.000 0.282 458 T C -0.932 173.815 174.700 0.079 0.000 0.990 458 T CA -0.677 61.432 62.100 0.017 0.000 0.960 458 T CB 1.700 70.556 68.868 -0.019 0.000 0.948 458 T HN 0.613 nan 8.240 nan 0.000 0.438 459 V N 3.693 123.649 119.914 0.070 0.000 2.439 459 V HA 0.563 4.685 4.120 0.004 0.000 0.282 459 V C 0.106 176.215 176.094 0.026 0.000 1.039 459 V CA -0.736 61.579 62.300 0.024 0.000 0.913 459 V CB 1.353 33.221 31.823 0.075 0.000 0.983 459 V HN 0.630 nan 8.190 nan 0.000 0.460 460 K N 4.102 124.520 120.400 0.029 0.000 2.323 460 K HA 0.664 4.986 4.320 0.004 0.000 0.259 460 K C -0.938 175.726 176.600 0.107 0.000 0.947 460 K CA -0.686 55.636 56.287 0.059 0.000 0.819 460 K CB 1.333 33.861 32.500 0.046 0.000 1.109 460 K HN 0.544 nan 8.250 nan 0.000 0.429 461 K N 3.245 123.696 120.400 0.085 0.000 2.668 461 K HA 0.536 4.858 4.320 0.004 0.000 0.246 461 K C 0.119 176.752 176.600 0.054 0.000 0.976 461 K CA 0.376 56.715 56.287 0.086 0.000 0.902 461 K CB 0.870 33.425 32.500 0.092 0.000 1.172 461 K HN 0.680 nan 8.250 nan 0.000 0.452 462 G N 3.569 112.396 108.800 0.046 0.000 2.601 462 G HA2 -0.312 3.650 3.960 0.004 0.000 0.306 462 G HA3 -0.312 3.650 3.960 0.004 0.000 0.306 462 G C 0.123 175.039 174.900 0.028 0.000 1.172 462 G CA 0.497 45.616 45.100 0.032 0.000 0.966 462 G HN 0.623 nan 8.290 nan 0.000 0.542 463 D N 1.517 121.932 120.400 0.024 0.000 2.431 463 D HA 0.189 4.832 4.640 0.004 0.000 0.213 463 D C 0.374 176.686 176.300 0.020 0.000 1.130 463 D CA 0.134 54.146 54.000 0.019 0.000 0.834 463 D CB 0.406 41.215 40.800 0.015 0.000 0.985 463 D HN 0.210 nan 8.370 nan 0.000 0.504 464 K N 1.411 121.826 120.400 0.025 0.000 2.201 464 K HA 0.353 4.675 4.320 0.004 0.000 0.278 464 K C 0.178 176.793 176.600 0.025 0.000 1.027 464 K CA -0.113 56.188 56.287 0.023 0.000 0.909 464 K CB 1.852 34.369 32.500 0.028 0.000 1.062 464 K HN 0.032 nan 8.250 nan 0.000 0.465 465 E N 2.099 122.307 120.200 0.015 0.000 2.220 465 E HA 0.147 4.499 4.350 0.004 0.000 0.256 465 E C -1.015 175.583 176.600 -0.003 0.000 0.881 465 E CA -0.387 56.018 56.400 0.009 0.000 0.766 465 E CB 2.038 31.741 29.700 0.004 0.000 1.187 465 E HN 0.436 nan 8.360 nan 0.000 0.419 466 E N 2.788 122.984 120.200 -0.007 0.000 2.155 466 E HA 0.201 4.553 4.350 0.004 0.000 0.264 466 E C -0.951 175.600 176.600 -0.081 0.000 0.886 466 E CA -0.599 55.783 56.400 -0.031 0.000 0.752 466 E CB 1.099 30.792 29.700 -0.011 0.000 1.133 466 E HN 0.440 nan 8.360 nan 0.000 0.414 467 T N 1.815 116.300 114.554 -0.115 0.000 2.806 467 T HA 0.421 4.774 4.350 0.004 0.000 0.290 467 T C 0.015 174.529 174.700 -0.311 0.000 0.966 467 T CA -0.621 61.357 62.100 -0.203 0.000 1.060 467 T CB 1.461 70.246 68.868 -0.138 0.000 0.927 467 T HN 0.488 nan 8.240 nan 0.000 0.485 468 Q N 1.204 120.626 119.800 -0.632 0.000 2.605 468 Q HA 0.730 5.072 4.340 0.004 0.000 0.296 468 Q C -0.945 174.583 176.000 -0.788 0.000 1.056 468 Q CA -1.233 54.150 55.803 -0.700 0.000 0.778 468 Q CB 2.450 30.712 28.738 -0.793 0.000 1.497 468 Q HN 0.941 nan 8.270 nan 0.000 0.443 469 S N -1.368 114.103 115.700 -0.381 0.000 2.579 469 S HA 0.909 5.381 4.470 0.004 0.000 0.272 469 S C -0.524 174.156 174.600 0.133 0.000 1.141 469 S CA -0.262 57.884 58.200 -0.089 0.000 0.843 469 S CB 1.995 65.173 63.200 -0.038 0.000 1.122 469 S HN 1.204 nan 8.310 nan 0.000 0.468 470 G N 0.529 109.472 108.800 0.239 0.000 3.233 470 G HA2 0.114 4.076 3.960 0.004 0.000 0.686 470 G HA3 0.114 4.076 3.960 0.004 0.000 0.686 470 G C -0.179 174.911 174.900 0.317 0.000 1.153 470 G CA -0.269 44.973 45.100 0.238 0.000 0.853 470 G HN 1.401 nan 8.290 nan 0.000 0.582 471 L N 1.959 123.325 121.223 0.237 0.000 2.079 471 L HA -0.053 4.289 4.340 0.004 0.000 0.210 471 L C 2.509 179.532 176.870 0.254 0.000 1.081 471 L CA 2.762 57.745 54.840 0.239 0.000 0.752 471 L CB -0.344 41.822 42.059 0.178 0.000 0.896 471 L HN 0.704 nan 8.230 nan 0.000 0.433 472 N N -0.031 118.782 118.700 0.189 0.000 2.084 472 N HA -0.186 4.556 4.740 0.004 0.000 0.190 472 N C 1.522 177.120 175.510 0.145 0.000 1.030 472 N CA 1.608 54.743 53.050 0.142 0.000 0.849 472 N CB -0.652 37.901 38.487 0.110 0.000 1.012 472 N HN 0.491 nan 8.380 nan 0.000 0.423 473 N N 0.851 119.679 118.700 0.214 0.000 2.120 473 N HA -0.173 4.570 4.740 0.004 0.000 0.188 473 N C 1.801 177.430 175.510 0.198 0.000 1.024 473 N CA 0.655 53.858 53.050 0.255 0.000 0.852 473 N CB -0.587 38.124 38.487 0.372 0.000 1.003 473 N HN 0.392 nan 8.380 nan 0.000 0.424 474 Y N 1.913 122.194 120.300 -0.032 0.000 2.128 474 Y HA -0.185 4.368 4.550 0.004 0.000 0.284 474 Y C 2.369 178.124 175.900 -0.241 0.000 1.154 474 Y CA 1.803 59.584 58.100 -0.530 0.000 1.149 474 Y CB -0.631 37.512 38.460 -0.528 0.000 0.976 474 Y HN 0.064 nan 8.280 nan 0.000 0.505 475 A N 0.867 123.527 122.820 -0.267 0.000 1.908 475 A HA -0.244 4.078 4.320 0.004 0.000 0.218 475 A C 2.442 179.892 177.584 -0.224 0.000 1.181 475 A CA 3.025 54.883 52.037 -0.298 0.000 0.627 475 A CB -1.446 17.526 19.000 -0.046 0.000 0.818 475 A HN 0.588 nan 8.150 nan 0.000 0.445 476 R N -0.698 119.740 120.500 -0.103 0.000 2.081 476 R HA 0.007 4.349 4.340 0.004 0.000 0.235 476 R C 2.258 178.526 176.300 -0.053 0.000 1.131 476 R CA 1.818 57.891 56.100 -0.045 0.000 0.960 476 R CB -1.827 28.483 30.300 0.018 0.000 0.856 476 R HN 0.433 nan 8.270 nan 0.000 0.436 477 V N 0.748 120.615 119.914 -0.079 0.000 2.295 477 V HA -0.232 3.890 4.120 0.004 0.000 0.246 477 V C 2.613 178.715 176.094 0.014 0.000 1.049 477 V CA 1.955 64.244 62.300 -0.019 0.000 1.024 477 V CB -0.437 31.345 31.823 -0.068 0.000 0.648 477 V HN 0.413 nan 8.190 nan 0.000 0.447 478 V N 0.007 119.797 119.914 -0.206 0.000 2.407 478 V HA -0.295 3.827 4.120 0.004 0.000 0.248 478 V C 2.421 178.481 176.094 -0.056 0.000 1.055 478 V CA 2.259 64.484 62.300 -0.124 0.000 1.049 478 V CB -0.643 30.918 31.823 -0.436 0.000 0.662 478 V HN 0.685 nan 8.190 nan 0.000 0.455 479 E N 0.575 120.721 120.200 -0.090 0.000 2.031 479 E HA -0.257 4.095 4.350 0.004 0.000 0.193 479 E C 2.287 178.866 176.600 -0.035 0.000 0.994 479 E CA 1.523 57.890 56.400 -0.056 0.000 0.800 479 E CB -0.057 29.613 29.700 -0.050 0.000 0.752 479 E HN 0.588 nan 8.360 nan 0.000 0.447 480 K N -0.793 119.598 120.400 -0.015 0.000 2.097 480 K HA -0.058 4.264 4.320 0.004 0.000 0.205 480 K C 1.430 177.990 176.600 -0.067 0.000 1.050 480 K CA 0.760 57.036 56.287 -0.018 0.000 0.938 480 K CB -0.188 32.320 32.500 0.014 0.000 0.718 480 K HN 0.387 nan 8.250 nan 0.000 0.442 481 G N 2.205 110.953 108.800 -0.087 0.000 2.203 481 G HA2 -0.308 3.654 3.960 0.004 0.000 0.263 481 G HA3 -0.308 3.654 3.960 0.004 0.000 0.263 481 G C -0.211 174.383 174.900 -0.511 0.000 1.012 481 G CA 0.377 45.238 45.100 -0.399 0.000 0.749 481 G HN 0.442 nan 8.290 nan 0.000 0.512 482 Q N -0.395 119.280 119.800 -0.208 0.000 3.150 482 Q HA 0.508 4.850 4.340 0.004 0.000 0.297 482 Q C -0.210 175.798 176.000 0.015 0.000 1.382 482 Q CA -0.268 55.472 55.803 -0.106 0.000 1.059 482 Q CB -0.037 28.697 28.738 -0.006 0.000 1.559 482 Q HN 0.845 nan 8.270 nan 0.000 0.548 483 Y N -3.274 117.029 120.300 0.006 0.000 2.641 483 Y HA 0.308 4.860 4.550 0.004 0.000 0.333 483 Y C -0.310 175.596 175.900 0.010 0.000 1.174 483 Y CA -1.503 56.605 58.100 0.013 0.000 1.057 483 Y CB 0.640 39.113 38.460 0.021 0.000 1.322 483 Y HN -0.111 nan 8.280 nan 0.000 0.457 484 D N 1.027 121.576 120.400 0.248 0.000 2.183 484 D HA 0.065 4.707 4.640 0.004 0.000 0.205 484 D C 0.100 176.546 176.300 0.244 0.000 0.962 484 D CA 1.835 55.929 54.000 0.158 0.000 0.849 484 D CB 0.411 41.270 40.800 0.098 0.000 0.978 484 D HN 0.567 nan 8.370 nan 0.000 0.488 485 S N -0.543 115.351 115.700 0.323 0.000 2.565 485 S HA 0.520 4.992 4.470 0.004 0.000 0.269 485 S C -1.555 173.033 174.600 -0.020 0.000 1.153 485 S CA -1.019 57.305 58.200 0.206 0.000 0.835 485 S CB 2.208 65.466 63.200 0.097 0.000 1.122 485 S HN -0.011 nan 8.310 nan 0.000 0.462 486 L N 1.232 122.368 121.223 -0.146 0.000 2.372 486 L HA 0.588 4.930 4.340 0.004 0.000 0.274 486 L C -0.998 175.791 176.870 -0.135 0.000 0.988 486 L CA -0.134 54.531 54.840 -0.292 0.000 0.833 486 L CB 1.492 43.221 42.059 -0.549 0.000 1.236 486 L HN 0.881 nan 8.230 nan 0.000 0.410 487 E N 6.028 126.183 120.200 -0.075 0.000 2.081 487 E HA 0.426 4.778 4.350 0.004 0.000 0.276 487 E C -1.123 175.429 176.600 -0.081 0.000 0.950 487 E CA -0.461 55.895 56.400 -0.072 0.000 0.776 487 E CB 1.533 31.210 29.700 -0.039 0.000 1.094 487 E HN 0.395 nan 8.360 nan 0.000 0.402 488 I N 5.171 125.624 120.570 -0.195 0.000 2.390 488 I HA 0.203 4.375 4.170 0.004 0.000 0.283 488 I C -1.915 173.973 176.117 -0.381 0.000 1.016 488 I CA -2.262 58.869 61.300 -0.281 0.000 1.151 488 I CB 1.375 39.072 38.000 -0.504 0.000 1.293 488 I HN 0.266 nan 8.210 nan 0.000 0.458 489 P HA -0.278 nan 4.420 nan 0.000 0.216 489 P C 1.523 178.489 177.300 -0.556 0.000 1.154 489 P CA 1.783 64.727 63.100 -0.260 0.000 0.865 489 P CB 0.335 32.022 31.700 -0.022 0.000 0.789 490 A N -0.626 121.710 122.820 -0.807 0.000 1.902 490 A HA -0.264 4.058 4.320 0.004 0.000 0.217 490 A C 2.359 179.437 177.584 -0.844 0.000 1.181 490 A CA 1.810 53.145 52.037 -1.170 0.000 0.623 490 A CB -1.385 16.967 19.000 -1.081 0.000 0.818 490 A HN 0.210 nan 8.150 nan 0.000 0.443 491 Q N -0.418 118.699 119.800 -1.139 0.000 2.230 491 Q HA -0.068 4.274 4.340 0.004 0.000 0.202 491 Q C 1.787 177.427 176.000 -0.600 0.000 0.963 491 Q CA 1.362 56.492 55.803 -1.121 0.000 0.866 491 Q CB -0.131 27.827 28.738 -1.301 0.000 0.931 491 Q HN 0.410 nan 8.270 nan 0.000 0.452 492 V N 0.642 120.191 119.914 -0.608 0.000 2.358 492 V HA -0.239 3.883 4.120 0.004 0.000 0.246 492 V C 2.286 177.760 176.094 -1.033 0.000 1.047 492 V CA 1.725 63.631 62.300 -0.658 0.000 1.035 492 V CB -0.925 30.514 31.823 -0.640 0.000 0.658 492 V HN 0.508 nan 8.190 nan 0.000 0.452 493 A N -0.029 122.250 122.820 -0.901 0.000 1.972 493 A HA -0.078 4.245 4.320 0.004 0.000 0.219 493 A C 2.392 179.857 177.584 -0.198 0.000 1.169 493 A CA 1.897 53.578 52.037 -0.593 0.000 0.635 493 A CB -0.636 18.292 19.000 -0.121 0.000 0.810 493 A HN 0.562 nan 8.150 nan 0.000 0.446 494 A N 0.370 123.076 122.820 -0.190 0.000 1.930 494 A HA -0.069 4.253 4.320 0.004 0.000 0.217 494 A C 2.491 179.969 177.584 -0.177 0.000 1.175 494 A CA 2.148 54.170 52.037 -0.025 0.000 0.627 494 A CB -0.888 18.183 19.000 0.118 0.000 0.815 494 A HN 0.982 nan 8.150 nan 0.000 0.443 495 S N -1.469 114.073 115.700 -0.264 0.000 2.402 495 S HA -0.176 4.296 4.470 0.004 0.000 0.229 495 S C 1.750 176.249 174.600 -0.168 0.000 1.021 495 S CA 1.133 59.166 58.200 -0.278 0.000 0.974 495 S CB -0.633 62.506 63.200 -0.102 0.000 0.800 495 S HN 0.661 nan 8.310 nan 0.000 0.484 496 W N 2.054 123.268 121.300 -0.144 0.000 2.388 496 W HA 0.216 4.878 4.660 0.003 0.000 0.294 496 W C 2.507 178.942 176.519 -0.141 0.000 1.212 496 W CA 0.405 57.694 57.345 -0.093 0.000 1.271 496 W CB -1.167 28.313 29.460 0.033 0.000 1.126 496 W HN 0.533 nan 8.180 nan 0.000 0.535 497 E N 0.638 120.899 120.200 0.102 0.000 2.204 497 E HA -0.179 4.173 4.350 0.004 0.000 0.195 497 E C 2.234 178.588 176.600 -0.410 0.000 0.990 497 E CA 1.827 58.250 56.400 0.039 0.000 0.821 497 E CB -0.027 29.813 29.700 0.233 0.000 0.750 497 E HN 0.123 nan 8.360 nan 0.000 0.477 498 S N -1.241 113.963 115.700 -0.828 0.000 2.453 498 S HA 0.046 4.518 4.470 0.004 0.000 0.231 498 S C 1.728 175.796 174.600 -0.888 0.000 1.005 498 S CA 0.811 58.094 58.200 -1.529 0.000 0.949 498 S CB 0.128 62.414 63.200 -1.523 0.000 0.774 498 S HN 0.491 nan 8.310 nan 0.000 0.510 499 G N 1.379 109.823 108.800 -0.593 0.000 2.199 499 G HA2 -0.261 3.701 3.960 0.004 0.000 0.254 499 G HA3 -0.261 3.701 3.960 0.004 0.000 0.254 499 G C 0.255 174.755 174.900 -0.667 0.000 0.982 499 G CA 0.130 44.937 45.100 -0.488 0.000 0.632 499 G HN 0.614 nan 8.290 nan 0.000 0.529 500 R N 0.596 120.630 120.500 -0.776 0.000 2.644 500 R HA 0.322 4.664 4.340 0.004 0.000 0.271 500 R C 0.350 176.331 176.300 -0.532 0.000 1.687 500 R CA 0.115 55.458 56.100 -1.262 0.000 1.655 500 R CB 0.398 30.127 30.300 -0.952 0.000 1.285 500 R HN 0.336 nan 8.270 nan 0.000 0.643 501 D N -0.809 119.380 120.400 -0.352 0.000 2.403 501 D HA -0.157 4.485 4.640 0.004 0.000 0.227 501 D C 0.494 176.471 176.300 -0.539 0.000 0.995 501 D CA 0.743 54.608 54.000 -0.225 0.000 0.928 501 D CB 0.283 41.109 40.800 0.043 0.000 0.887 501 D HN 0.279 nan 8.370 nan 0.000 0.529 502 D N -0.977 119.278 120.400 -0.242 0.000 2.556 502 D HA 0.279 4.921 4.640 0.004 0.000 0.237 502 D C -0.136 176.300 176.300 0.226 0.000 1.296 502 D CA -0.237 53.596 54.000 -0.279 0.000 0.807 502 D CB 0.413 41.254 40.800 0.068 0.000 1.084 502 D HN 0.235 nan 8.370 nan 0.000 0.510 503 A N 0.321 123.374 122.820 0.388 0.000 2.462 503 A HA 0.512 4.835 4.320 0.004 0.000 0.243 503 A C 1.685 179.574 177.584 0.509 0.000 1.076 503 A CA 0.475 52.793 52.037 0.468 0.000 0.773 503 A CB 0.533 19.759 19.000 0.377 0.000 1.010 503 A HN 0.268 nan 8.150 nan 0.000 0.493 504 A N 2.322 125.387 122.820 0.408 0.000 1.940 504 A HA -0.065 4.257 4.320 0.004 0.000 0.219 504 A C 2.075 179.851 177.584 0.320 0.000 1.176 504 A CA 1.885 54.205 52.037 0.472 0.000 0.631 504 A CB -0.914 18.374 19.000 0.479 0.000 0.814 504 A HN 1.549 nan 8.150 nan 0.000 0.446 505 V N -1.226 118.710 119.914 0.036 0.000 2.688 505 V HA -0.162 3.960 4.120 0.004 0.000 0.256 505 V C 1.371 177.286 176.094 -0.299 0.000 1.084 505 V CA 1.652 63.807 62.300 -0.242 0.000 1.103 505 V CB -0.724 30.827 31.823 -0.453 0.000 0.688 505 V HN 0.506 nan 8.190 nan 0.000 0.480 506 F N 0.778 120.864 119.950 0.226 0.000 2.660 506 F HA 0.534 5.064 4.527 0.004 0.000 0.297 506 F C 1.684 177.457 175.800 -0.045 0.000 1.132 506 F CA 0.184 58.282 58.000 0.164 0.000 1.372 506 F CB -0.136 39.049 39.000 0.309 0.000 1.003 506 F HN 0.241 nan 8.300 nan 0.000 0.524 507 G N -0.469 108.419 108.800 0.147 0.000 2.176 507 G HA2 -0.296 3.666 3.960 0.004 0.000 0.253 507 G HA3 -0.296 3.666 3.960 0.004 0.000 0.253 507 G C 0.067 174.961 174.900 -0.009 0.000 0.979 507 G CA -0.591 44.564 45.100 0.092 0.000 0.641 507 G HN 0.171 nan 8.290 nan 0.000 0.530 508 F N 0.628 120.761 119.950 0.305 0.000 2.421 508 F HA 0.746 5.275 4.527 0.003 0.000 0.358 508 F C 0.659 176.502 175.800 0.073 0.000 1.115 508 F CA -0.604 57.505 58.000 0.181 0.000 1.160 508 F CB 1.053 40.170 39.000 0.195 0.000 1.123 508 F HN 0.153 nan 8.300 nan 0.000 0.508 509 I N 3.355 123.953 120.570 0.047 0.000 2.743 509 I HA 0.247 4.419 4.170 0.004 0.000 0.292 509 I C -1.544 174.494 176.117 -0.132 0.000 1.343 509 I CA -0.876 60.304 61.300 -0.200 0.000 1.038 509 I CB 1.689 39.208 38.000 -0.803 0.000 1.311 509 I HN 0.572 nan 8.210 nan 0.000 0.426 510 D N 6.126 126.468 120.400 -0.096 0.000 2.354 510 D HA 0.245 4.887 4.640 0.004 0.000 0.247 510 D C 0.668 176.917 176.300 -0.086 0.000 1.138 510 D CA -0.396 53.570 54.000 -0.055 0.000 0.958 510 D CB 1.070 41.855 40.800 -0.024 0.000 1.144 510 D HN 0.470 nan 8.370 nan 0.000 0.458 511 K N 0.113 120.483 120.400 -0.050 0.000 2.034 511 K HA -0.261 4.061 4.320 0.004 0.000 0.214 511 K C 1.725 178.298 176.600 -0.046 0.000 1.051 511 K CA 1.992 58.251 56.287 -0.046 0.000 0.931 511 K CB -0.205 32.282 32.500 -0.021 0.000 0.715 511 K HN 0.439 nan 8.250 nan 0.000 0.446 512 E N 1.018 121.198 120.200 -0.034 0.000 2.070 512 E HA -0.221 4.131 4.350 0.004 0.000 0.197 512 E C 2.093 178.676 176.600 -0.028 0.000 1.004 512 E CA 1.578 57.965 56.400 -0.023 0.000 0.805 512 E CB -0.181 29.510 29.700 -0.014 0.000 0.744 512 E HN 0.346 nan 8.360 nan 0.000 0.451 513 Q N -0.394 119.373 119.800 -0.054 0.000 2.079 513 Q HA -0.094 4.248 4.340 0.004 0.000 0.200 513 Q C 2.166 178.105 176.000 -0.100 0.000 0.974 513 Q CA 0.918 56.680 55.803 -0.069 0.000 0.840 513 Q CB -0.179 28.489 28.738 -0.116 0.000 0.898 513 Q HN 0.182 nan 8.270 nan 0.000 0.430 514 L N 1.325 122.444 121.223 -0.173 0.000 2.093 514 L HA -0.157 4.185 4.340 0.004 0.000 0.208 514 L C 1.438 178.309 176.870 0.001 0.000 1.085 514 L CA 1.800 56.533 54.840 -0.178 0.000 0.755 514 L CB -0.389 41.532 42.059 -0.229 0.000 0.904 514 L HN 0.109 nan 8.230 nan 0.000 0.435 515 D N -0.363 120.033 120.400 -0.007 0.000 2.117 515 D HA -0.224 4.418 4.640 0.004 0.000 0.198 515 D C 2.050 178.370 176.300 0.034 0.000 0.982 515 D CA 1.269 55.278 54.000 0.015 0.000 0.828 515 D CB 0.001 40.801 40.800 0.000 0.000 0.967 515 D HN 0.398 nan 8.370 nan 0.000 0.464 516 K N -0.127 120.297 120.400 0.040 0.000 2.097 516 K HA -0.201 4.121 4.320 0.004 0.000 0.206 516 K C 2.267 178.916 176.600 0.083 0.000 1.049 516 K CA 0.775 57.092 56.287 0.050 0.000 0.933 516 K CB -0.202 32.330 32.500 0.053 0.000 0.717 516 K HN 0.073 nan 8.250 nan 0.000 0.442 517 Y N 1.228 121.529 120.300 0.001 0.000 2.128 517 Y HA -0.234 4.318 4.550 0.004 0.000 0.284 517 Y C 1.841 177.779 175.900 0.062 0.000 1.154 517 Y CA 1.627 59.760 58.100 0.055 0.000 1.149 517 Y CB -0.341 38.165 38.460 0.077 0.000 0.976 517 Y HN -0.152 nan 8.280 nan 0.000 0.505 518 V N 0.415 120.349 119.914 0.034 0.000 2.515 518 V HA -0.273 3.849 4.120 0.004 0.000 0.250 518 V C 2.620 178.664 176.094 -0.084 0.000 1.058 518 V CA 1.609 63.878 62.300 -0.050 0.000 1.064 518 V CB -1.533 30.316 31.823 0.043 0.000 0.675 518 V HN 0.565 nan 8.190 nan 0.000 0.461 519 A N 0.147 122.939 122.820 -0.046 0.000 2.067 519 A HA -0.146 4.176 4.320 0.004 0.000 0.219 519 A C 1.895 179.441 177.584 -0.063 0.000 1.158 519 A CA 1.472 53.484 52.037 -0.041 0.000 0.661 519 A CB -0.458 18.532 19.000 -0.016 0.000 0.801 519 A HN 0.582 nan 8.150 nan 0.000 0.452 520 N N -1.024 117.616 118.700 -0.099 0.000 2.398 520 N HA 0.144 4.887 4.740 0.004 0.000 0.188 520 N C 1.079 176.500 175.510 -0.149 0.000 1.122 520 N CA 1.055 54.041 53.050 -0.106 0.000 0.866 520 N CB 0.715 39.149 38.487 -0.088 0.000 0.970 520 N HN 0.626 nan 8.380 nan 0.000 0.462 521 G N -0.753 107.937 108.800 -0.182 0.000 2.229 521 G HA2 -0.165 3.797 3.960 0.004 0.000 0.189 521 G HA3 -0.165 3.797 3.960 0.004 0.000 0.189 521 G C 0.456 175.214 174.900 -0.236 0.000 1.000 521 G CA -0.193 44.806 45.100 -0.168 0.000 0.663 521 G HN 0.542 nan 8.290 nan 0.000 0.493 522 G N -0.114 108.404 108.800 -0.470 0.000 2.580 522 G HA2 0.570 4.532 3.960 0.004 0.000 0.278 522 G HA3 0.570 4.532 3.960 0.004 0.000 0.278 522 G C -0.259 174.551 174.900 -0.150 0.000 1.212 522 G CA -0.398 44.364 45.100 -0.563 0.000 0.939 522 G HN 0.360 nan 8.290 nan 0.000 0.513 523 K N -0.418 120.062 120.400 0.133 0.000 2.270 523 K HA 0.222 4.544 4.320 0.004 0.000 0.255 523 K C 1.226 178.040 176.600 0.356 0.000 0.936 523 K CA -0.738 55.655 56.287 0.177 0.000 0.809 523 K CB 2.681 35.242 32.500 0.101 0.000 1.131 523 K HN 0.666 nan 8.250 nan 0.000 0.427 524 R N 0.435 121.089 120.500 0.257 0.000 2.159 524 R HA -0.144 4.198 4.340 0.004 0.000 0.237 524 R C 1.379 177.827 176.300 0.246 0.000 1.131 524 R CA 2.097 58.357 56.100 0.267 0.000 0.982 524 R CB -0.380 29.989 30.300 0.114 0.000 0.868 524 R HN 0.564 nan 8.270 nan 0.000 0.453 525 S N 0.726 116.520 115.700 0.157 0.000 2.474 525 S HA -0.100 4.372 4.470 0.004 0.000 0.235 525 S C 1.054 175.710 174.600 0.093 0.000 0.997 525 S CA 0.988 59.247 58.200 0.099 0.000 0.949 525 S CB -0.065 63.163 63.200 0.046 0.000 0.766 525 S HN 0.295 nan 8.310 nan 0.000 0.517 526 D N 0.638 121.116 120.400 0.129 0.000 2.309 526 D HA -0.050 4.592 4.640 0.004 0.000 0.212 526 D C 0.434 176.565 176.300 -0.282 0.000 0.968 526 D CA 0.761 54.730 54.000 -0.052 0.000 0.882 526 D CB -0.251 40.545 40.800 -0.005 0.000 0.918 526 D HN 0.697 nan 8.370 nan 0.000 0.503 527 W N 0.706 121.973 121.300 -0.055 0.000 3.239 527 W HA 0.158 4.820 4.660 0.003 0.000 0.348 527 W C 0.296 176.776 176.519 -0.065 0.000 1.183 527 W CA -0.201 57.089 57.345 -0.092 0.000 1.819 527 W CB -0.006 29.376 29.460 -0.130 0.000 1.091 527 W HN -0.346 nan 8.180 nan 0.000 0.629 528 T N 1.735 116.353 114.554 0.106 0.000 2.729 528 T HA 0.297 4.649 4.350 0.004 0.000 0.296 528 T C 0.013 174.741 174.700 0.046 0.000 0.928 528 T CA -0.107 62.038 62.100 0.075 0.000 1.045 528 T CB 1.255 70.166 68.868 0.071 0.000 0.902 528 T HN -0.424 nan 8.240 nan 0.000 0.500 529 V N 5.973 125.916 119.914 0.048 0.000 2.348 529 V HA 0.237 4.360 4.120 0.004 0.000 0.270 529 V C 0.677 176.846 176.094 0.125 0.000 1.037 529 V CA -0.793 61.552 62.300 0.075 0.000 0.872 529 V CB 0.566 32.443 31.823 0.089 0.000 1.002 529 V HN 0.753 nan 8.190 nan 0.000 0.464 530 K N 3.498 123.981 120.400 0.138 0.000 2.276 530 K HA 0.400 4.723 4.320 0.004 0.000 0.259 530 K C -0.805 175.963 176.600 0.280 0.000 1.001 530 K CA -0.089 56.325 56.287 0.212 0.000 0.927 530 K CB 0.702 33.287 32.500 0.141 0.000 0.969 530 K HN 0.452 nan 8.250 nan 0.000 0.490 531 F N 0.064 120.067 119.950 0.090 0.000 2.563 531 F HA 0.584 5.113 4.527 0.003 0.000 0.316 531 F C -0.817 174.907 175.800 -0.126 0.000 1.076 531 F CA -0.571 57.366 58.000 -0.105 0.000 0.921 531 F CB 1.855 40.661 39.000 -0.322 0.000 1.209 531 F HN 0.583 nan 8.300 nan 0.000 0.462 532 A N 3.122 125.574 122.820 -0.613 0.000 2.566 532 A HA 0.667 4.990 4.320 0.004 0.000 0.292 532 A C -1.503 175.798 177.584 -0.471 0.000 1.112 532 A CA -0.830 50.908 52.037 -0.498 0.000 0.707 532 A CB 1.514 20.023 19.000 -0.818 0.000 1.302 532 A HN 0.735 nan 8.150 nan 0.000 0.409 533 E N 0.991 121.065 120.200 -0.210 0.000 2.214 533 E HA 0.546 4.899 4.350 0.004 0.000 0.274 533 E C -1.176 175.353 176.600 -0.119 0.000 0.977 533 E CA -1.008 55.269 56.400 -0.206 0.000 0.827 533 E CB 1.151 30.770 29.700 -0.136 0.000 1.130 533 E HN 0.421 nan 8.360 nan 0.000 0.394 534 N N 2.330 120.906 118.700 -0.206 0.000 2.446 534 N HA 0.304 5.046 4.740 0.004 0.000 0.265 534 N C -1.010 174.415 175.510 -0.141 0.000 0.975 534 N CA -0.509 52.487 53.050 -0.089 0.000 0.928 534 N CB 1.432 39.849 38.487 -0.118 0.000 1.160 534 N HN 0.384 nan 8.380 nan 0.000 0.495 535 R N 0.115 120.558 120.500 -0.094 0.000 2.740 535 R HA 0.451 4.793 4.340 0.004 0.000 0.282 535 R C 0.322 176.574 176.300 -0.081 0.000 0.969 535 R CA -0.729 55.317 56.100 -0.090 0.000 0.918 535 R CB 1.603 31.863 30.300 -0.066 0.000 1.175 535 R HN 0.606 nan 8.270 nan 0.000 0.464 536 S N 0.694 116.353 115.700 -0.070 0.000 2.617 536 S HA -0.046 4.426 4.470 0.004 0.000 0.259 536 S C 1.024 175.593 174.600 -0.050 0.000 1.301 536 S CA -0.507 57.657 58.200 -0.060 0.000 0.984 536 S CB 1.041 64.213 63.200 -0.046 0.000 0.954 536 S HN 0.669 nan 8.310 nan 0.000 0.572 537 Q N 0.739 120.512 119.800 -0.045 0.000 2.368 537 Q HA -0.139 4.203 4.340 0.004 0.000 0.210 537 Q C 0.936 176.918 176.000 -0.029 0.000 0.982 537 Q CA 2.164 57.944 55.803 -0.038 0.000 0.884 537 Q CB -0.656 28.061 28.738 -0.034 0.000 0.933 537 Q HN 0.956 nan 8.270 nan 0.000 0.460 538 D N -3.191 117.193 120.400 -0.026 0.000 2.349 538 D HA 0.201 4.843 4.640 0.004 0.000 0.214 538 D C 1.023 177.312 176.300 -0.018 0.000 1.063 538 D CA 0.567 54.556 54.000 -0.018 0.000 0.847 538 D CB 0.122 40.914 40.800 -0.014 0.000 0.933 538 D HN 0.224 nan 8.370 nan 0.000 0.513 539 G N -0.578 108.207 108.800 -0.024 0.000 2.175 539 G HA2 -0.264 3.698 3.960 0.004 0.000 0.244 539 G HA3 -0.264 3.698 3.960 0.004 0.000 0.244 539 G C 0.397 175.280 174.900 -0.027 0.000 0.982 539 G CA 0.152 45.238 45.100 -0.023 0.000 0.641 539 G HN 0.401 nan 8.290 nan 0.000 0.527 540 T N 1.683 116.219 114.554 -0.030 0.000 2.853 540 T HA 0.400 4.752 4.350 0.004 0.000 0.298 540 T C 0.436 175.102 174.700 -0.056 0.000 0.978 540 T CA 0.023 62.103 62.100 -0.033 0.000 1.152 540 T CB 1.426 70.279 68.868 -0.025 0.000 0.914 540 T HN 0.626 nan 8.240 nan 0.000 0.539 541 L N 5.555 126.740 121.223 -0.064 0.000 2.433 541 L HA 0.214 4.556 4.340 0.004 0.000 0.275 541 L C 0.643 177.439 176.870 -0.124 0.000 1.128 541 L CA 0.379 55.149 54.840 -0.117 0.000 0.875 541 L CB -0.247 41.744 42.059 -0.114 0.000 1.171 541 L HN 0.705 nan 8.230 nan 0.000 0.463 542 L N 4.893 126.022 121.223 -0.157 0.000 2.354 542 L HA 0.462 4.804 4.340 0.004 0.000 0.212 542 L C 1.189 177.965 176.870 -0.157 0.000 1.091 542 L CA 0.512 55.274 54.840 -0.130 0.000 0.828 542 L CB -0.344 41.635 42.059 -0.133 0.000 0.973 542 L HN 0.889 nan 8.230 nan 0.000 0.461 543 G N -1.823 106.798 108.800 -0.297 0.000 2.455 543 G HA2 0.171 4.133 3.960 0.004 0.000 0.223 543 G HA3 0.171 4.133 3.960 0.004 0.000 0.223 543 G C -2.034 172.470 174.900 -0.661 0.000 1.226 543 G CA -0.666 44.238 45.100 -0.326 0.000 0.948 543 G HN -0.158 nan 8.290 nan 0.000 0.478 544 Y N -0.637 119.599 120.300 -0.105 0.000 2.615 544 Y HA 0.807 5.359 4.550 0.003 0.000 0.341 544 Y C 0.219 175.888 175.900 -0.385 0.000 1.089 544 Y CA -0.743 57.158 58.100 -0.331 0.000 1.049 544 Y CB 2.536 40.776 38.460 -0.367 0.000 1.296 544 Y HN 0.607 nan 8.280 nan 0.000 0.470 545 S N 1.075 116.471 115.700 -0.506 0.000 2.546 545 S HA 0.575 5.047 4.470 0.004 0.000 0.274 545 S C -1.228 173.084 174.600 -0.481 0.000 1.121 545 S CA -0.849 57.146 58.200 -0.342 0.000 0.887 545 S CB 1.231 64.313 63.200 -0.197 0.000 1.094 545 S HN 0.470 nan 8.310 nan 0.000 0.474 546 L N 2.317 123.492 121.223 -0.080 0.000 2.426 546 L HA 0.317 4.659 4.340 0.004 0.000 0.271 546 L C 0.058 176.928 176.870 0.000 0.000 1.169 546 L CA -0.294 54.610 54.840 0.107 0.000 0.836 546 L CB 0.177 42.383 42.059 0.244 0.000 1.112 546 L HN 0.539 nan 8.230 nan 0.000 0.465 547 L N 4.164 125.397 121.223 0.016 0.000 2.533 547 L HA 0.206 4.548 4.340 0.004 0.000 0.239 547 L C -0.012 176.894 176.870 0.059 0.000 1.376 547 L CA 0.412 55.253 54.840 0.000 0.000 1.240 547 L CB -0.469 41.592 42.059 0.005 0.000 1.487 547 L HN 0.633 nan 8.230 nan 0.000 0.419 548 Q N 0.884 120.731 119.800 0.077 0.000 2.403 548 Q HA 0.271 4.613 4.340 0.004 0.000 0.267 548 Q C -1.418 174.639 176.000 0.096 0.000 0.991 548 Q CA -0.626 55.237 55.803 0.101 0.000 0.906 548 Q CB 1.974 30.802 28.738 0.150 0.000 1.422 548 Q HN 0.315 nan 8.270 nan 0.000 0.400 549 E N 1.518 121.764 120.200 0.076 0.000 2.133 549 E HA 0.390 4.742 4.350 0.004 0.000 0.274 549 E C -1.060 175.565 176.600 0.042 0.000 0.930 549 E CA -0.502 55.918 56.400 0.033 0.000 0.770 549 E CB 1.902 31.625 29.700 0.038 0.000 1.104 549 E HN 0.395 nan 8.360 nan 0.000 0.403 550 S N 1.759 117.456 115.700 -0.006 0.000 2.537 550 S HA 0.005 4.477 4.470 0.004 0.000 0.275 550 S C 1.016 175.573 174.600 -0.072 0.000 1.272 550 S CA -0.573 57.642 58.200 0.024 0.000 1.050 550 S CB 1.703 65.000 63.200 0.161 0.000 0.961 550 S HN 0.482 nan 8.310 nan 0.000 0.496 551 V N 3.076 122.951 119.914 -0.065 0.000 2.515 551 V HA -0.142 3.980 4.120 0.004 0.000 0.250 551 V C 1.978 177.903 176.094 -0.282 0.000 1.058 551 V CA 2.343 64.556 62.300 -0.144 0.000 1.064 551 V CB -0.521 31.225 31.823 -0.128 0.000 0.675 551 V HN 0.998 nan 8.190 nan 0.000 0.461 552 D N -0.565 119.668 120.400 -0.278 0.000 2.103 552 D HA -0.273 4.369 4.640 0.004 0.000 0.199 552 D C 2.033 177.960 176.300 -0.623 0.000 0.978 552 D CA 1.622 55.313 54.000 -0.515 0.000 0.829 552 D CB -0.609 40.003 40.800 -0.314 0.000 0.981 552 D HN 0.545 nan 8.370 nan 0.000 0.464 553 Q N 1.487 121.115 119.800 -0.288 0.000 2.077 553 Q HA -0.125 4.217 4.340 0.004 0.000 0.206 553 Q C 2.174 177.978 176.000 -0.325 0.000 0.989 553 Q CA 2.724 58.333 55.803 -0.323 0.000 0.853 553 Q CB -0.719 27.597 28.738 -0.703 0.000 0.907 553 Q HN 0.321 nan 8.270 nan 0.000 0.418 554 A N -0.541 122.105 122.820 -0.290 0.000 1.933 554 A HA -0.143 4.180 4.320 0.004 0.000 0.218 554 A C 2.325 179.798 177.584 -0.185 0.000 1.175 554 A CA 1.757 53.665 52.037 -0.215 0.000 0.628 554 A CB -0.725 18.191 19.000 -0.140 0.000 0.814 554 A HN 0.453 nan 8.150 nan 0.000 0.444 555 S N -1.143 114.382 115.700 -0.291 0.000 2.383 555 S HA 0.016 4.488 4.470 0.004 0.000 0.227 555 S C 0.697 175.210 174.600 -0.145 0.000 1.026 555 S CA 0.485 58.519 58.200 -0.278 0.000 0.981 555 S CB -0.408 62.520 63.200 -0.454 0.000 0.818 555 S HN 0.546 nan 8.310 nan 0.000 0.472 559 S N 0.757 116.475 115.700 0.031 0.000 2.359 559 S HA -0.218 4.254 4.470 0.004 0.000 0.224 559 S C 1.659 176.297 174.600 0.064 0.000 1.035 559 S CA 2.500 60.710 58.200 0.017 0.000 1.018 559 S CB -0.605 62.722 63.200 0.213 0.000 0.876 559 S HN 0.653 nan 8.310 nan 0.000 0.448 560 D N 1.130 121.589 120.400 0.097 0.000 2.092 560 D HA -0.123 4.519 4.640 0.004 0.000 0.193 560 D C 1.994 178.273 176.300 -0.034 0.000 0.994 560 D CA 1.596 55.652 54.000 0.092 0.000 0.828 560 D CB -0.466 40.383 40.800 0.081 0.000 0.963 560 D HN 0.408 nan 8.370 nan 0.000 0.450 561 N N -0.832 117.831 118.700 -0.061 0.000 2.120 561 N HA -0.200 4.542 4.740 0.004 0.000 0.188 561 N C 1.756 177.152 175.510 -0.190 0.000 1.024 561 N CA 1.170 54.157 53.050 -0.104 0.000 0.852 561 N CB -0.605 37.890 38.487 0.013 0.000 1.003 561 N HN 0.450 nan 8.380 nan 0.000 0.424 562 H N 0.142 118.962 119.070 -0.418 0.000 2.319 562 H HA -0.124 4.434 4.556 0.004 0.000 0.299 562 H C 1.492 176.598 175.328 -0.370 0.000 1.092 562 H CA 1.834 57.584 56.048 -0.497 0.000 1.302 562 H CB -0.351 28.945 29.762 -0.778 0.000 1.373 562 H HN 0.197 nan 8.280 nan 0.000 0.497 563 Y N -0.105 120.045 120.300 -0.248 0.000 2.314 563 Y HA -0.038 4.514 4.550 0.003 0.000 0.293 563 Y C 2.598 178.344 175.900 -0.257 0.000 1.129 563 Y CA 0.834 58.784 58.100 -0.249 0.000 1.201 563 Y CB -0.382 38.050 38.460 -0.047 0.000 0.999 563 Y HN 0.197 nan 8.280 nan 0.000 0.541 564 L N -1.046 120.057 121.223 -0.200 0.000 2.141 564 L HA -0.190 4.152 4.340 0.004 0.000 0.209 564 L C 2.588 179.311 176.870 -0.245 0.000 1.094 564 L CA 0.979 55.590 54.840 -0.382 0.000 0.763 564 L CB -0.663 40.757 42.059 -1.066 0.000 0.908 564 L HN 0.216 nan 8.230 nan 0.000 0.437 565 A N -0.396 122.312 122.820 -0.188 0.000 1.902 565 A HA -0.123 4.199 4.320 0.004 0.000 0.217 565 A C 1.269 178.801 177.584 -0.087 0.000 1.181 565 A CA 0.827 52.852 52.037 -0.019 0.000 0.623 565 A CB -0.329 18.656 19.000 -0.025 0.000 0.818 565 A HN 0.381 nan 8.150 nan 0.000 0.443 569 T N 1.103 115.568 114.554 -0.148 0.000 2.708 569 T HA -0.058 4.294 4.350 0.004 0.000 0.266 569 T C 1.793 176.409 174.700 -0.140 0.000 1.037 569 T CA 1.792 63.824 62.100 -0.114 0.000 1.146 569 T CB -0.438 68.381 68.868 -0.081 0.000 0.865 569 T HN 0.397 nan 8.240 nan 0.000 0.435 570 I N 0.752 121.210 120.570 -0.187 0.000 2.264 570 I HA -0.115 4.057 4.170 0.004 0.000 0.248 570 I C 1.752 177.748 176.117 -0.201 0.000 1.111 570 I CA 1.269 62.452 61.300 -0.196 0.000 1.382 570 I CB -0.294 37.517 38.000 -0.315 0.000 1.060 570 I HN 0.212 nan 8.210 nan 0.000 0.418 571 L N 0.478 121.538 121.223 -0.272 0.000 2.591 571 L HA 0.212 4.554 4.340 0.004 0.000 0.228 571 L C 1.185 177.943 176.870 -0.188 0.000 1.133 571 L CA 0.218 54.900 54.840 -0.263 0.000 0.880 571 L CB -0.426 41.382 42.059 -0.420 0.000 1.033 571 L HN 0.447 nan 8.230 nan 0.000 0.450 572 G N 1.454 110.164 108.800 -0.150 0.000 2.298 572 G HA2 -0.293 3.669 3.960 0.004 0.000 0.287 572 G HA3 -0.293 3.669 3.960 0.004 0.000 0.287 572 G C 0.123 174.965 174.900 -0.096 0.000 1.075 572 G CA 0.020 45.058 45.100 -0.102 0.000 0.960 572 G HN 0.467 nan 8.290 nan 0.000 0.502 573 K N 0.272 120.606 120.400 -0.111 0.000 2.877 573 K HA 0.248 4.570 4.320 0.004 0.000 0.176 573 K C -1.227 175.345 176.600 -0.046 0.000 1.075 573 K CA -1.406 54.836 56.287 -0.076 0.000 0.939 573 K CB 2.022 34.466 32.500 -0.092 0.000 1.237 573 K HN 0.174 nan 8.250 nan 0.000 0.607 574 P HA -0.230 nan 4.420 nan 0.000 0.216 574 P C 0.632 177.918 177.300 -0.024 0.000 1.153 574 P CA 1.430 64.512 63.100 -0.030 0.000 0.858 574 P CB 0.466 32.148 31.700 -0.029 0.000 0.789 575 E N 0.366 120.550 120.200 -0.027 0.000 2.107 575 E HA -0.132 4.220 4.350 0.004 0.000 0.191 575 E C 2.099 178.668 176.600 -0.052 0.000 0.982 575 E CA 0.950 57.329 56.400 -0.036 0.000 0.809 575 E CB -0.442 29.237 29.700 -0.035 0.000 0.756 575 E HN 0.505 nan 8.360 nan 0.000 0.459 576 E N 0.681 120.863 120.200 -0.031 0.000 2.107 576 E HA -0.071 4.281 4.350 0.004 0.000 0.191 576 E C 2.017 178.623 176.600 0.010 0.000 0.982 576 E CA 0.785 57.159 56.400 -0.044 0.000 0.809 576 E CB -0.030 29.731 29.700 0.102 0.000 0.756 576 E HN 0.169 nan 8.360 nan 0.000 0.459 577 A N 1.887 124.746 122.820 0.065 0.000 1.902 577 A HA -0.222 4.100 4.320 0.004 0.000 0.217 577 A C 1.953 179.565 177.584 0.046 0.000 1.181 577 A CA 1.435 53.528 52.037 0.094 0.000 0.623 577 A CB -0.271 18.742 19.000 0.023 0.000 0.818 577 A HN 0.043 nan 8.150 nan 0.000 0.443 578 K N -0.645 119.751 120.400 -0.006 0.000 2.097 578 K HA -0.101 4.221 4.320 0.004 0.000 0.206 578 K C 2.300 178.873 176.600 -0.045 0.000 1.049 578 K CA 1.215 57.490 56.287 -0.019 0.000 0.933 578 K CB -0.185 32.299 32.500 -0.027 0.000 0.717 578 K HN 0.372 nan 8.250 nan 0.000 0.442 579 R N -0.065 120.366 120.500 -0.115 0.000 2.073 579 R HA -0.128 4.214 4.340 0.004 0.000 0.234 579 R C 2.213 178.401 176.300 -0.187 0.000 1.134 579 R CA 1.512 57.494 56.100 -0.196 0.000 0.952 579 R CB -0.384 29.709 30.300 -0.345 0.000 0.850 579 R HN 0.250 nan 8.270 nan 0.000 0.433 580 Y N 0.518 120.792 120.300 -0.044 0.000 2.293 580 Y HA -0.111 4.441 4.550 0.003 0.000 0.291 580 Y C 2.514 178.377 175.900 -0.061 0.000 1.137 580 Y CA 0.968 59.028 58.100 -0.066 0.000 1.202 580 Y CB -0.385 38.017 38.460 -0.095 0.000 0.990 580 Y HN -0.005 nan 8.280 nan 0.000 0.537 581 R N 0.212 120.764 120.500 0.086 0.000 2.092 581 R HA -0.225 4.117 4.340 0.004 0.000 0.231 581 R C 2.249 178.569 176.300 0.034 0.000 1.119 581 R CA 1.678 57.802 56.100 0.040 0.000 0.970 581 R CB -0.170 30.146 30.300 0.028 0.000 0.864 581 R HN 0.399 nan 8.270 nan 0.000 0.440 582 Q N 0.240 120.052 119.800 0.021 0.000 2.079 582 Q HA -0.096 4.246 4.340 0.004 0.000 0.200 582 Q C 2.096 178.117 176.000 0.036 0.000 0.974 582 Q CA 1.256 57.070 55.803 0.019 0.000 0.840 582 Q CB 0.029 28.764 28.738 -0.005 0.000 0.898 582 Q HN 0.370 nan 8.270 nan 0.000 0.430 583 L N -0.091 121.158 121.223 0.043 0.000 2.083 583 L HA -0.172 4.171 4.340 0.004 0.000 0.209 583 L C 2.490 179.408 176.870 0.080 0.000 1.083 583 L CA 0.996 55.879 54.840 0.071 0.000 0.752 583 L CB -0.588 41.551 42.059 0.134 0.000 0.899 583 L HN 0.309 nan 8.230 nan 0.000 0.433 584 A N -0.382 122.469 122.820 0.050 0.000 1.877 584 A HA -0.244 4.078 4.320 0.004 0.000 0.216 584 A C 2.218 179.926 177.584 0.207 0.000 1.186 584 A CA 1.515 53.553 52.037 0.002 0.000 0.620 584 A CB -0.482 18.366 19.000 -0.253 0.000 0.822 584 A HN 0.473 nan 8.150 nan 0.000 0.443 585 Q N -0.536 119.352 119.800 0.147 0.000 2.096 585 Q HA -0.250 4.092 4.340 0.004 0.000 0.204 585 Q C 2.300 178.375 176.000 0.125 0.000 0.982 585 Q CA 1.738 57.631 55.803 0.150 0.000 0.850 585 Q CB -0.278 28.514 28.738 0.089 0.000 0.901 585 Q HN 0.780 nan 8.270 nan 0.000 0.422 586 Q N 0.388 120.248 119.800 0.101 0.000 2.084 586 Q HA -0.129 4.213 4.340 0.004 0.000 0.202 586 Q C 2.177 178.246 176.000 0.114 0.000 0.978 586 Q CA 1.001 56.858 55.803 0.089 0.000 0.844 586 Q CB -0.101 28.671 28.738 0.058 0.000 0.898 586 Q HN 0.383 nan 8.270 nan 0.000 0.426 587 L N 0.124 121.423 121.223 0.125 0.000 2.093 587 L HA -0.150 4.192 4.340 0.004 0.000 0.208 587 L C 2.496 179.438 176.870 0.120 0.000 1.085 587 L CA 0.812 55.725 54.840 0.122 0.000 0.755 587 L CB -0.492 41.648 42.059 0.136 0.000 0.904 587 L HN 0.217 nan 8.230 nan 0.000 0.435 588 A N -0.110 122.782 122.820 0.120 0.000 1.877 588 A HA -0.239 4.083 4.320 0.004 0.000 0.216 588 A C 1.920 179.496 177.584 -0.012 0.000 1.186 588 A CA 1.993 53.985 52.037 -0.074 0.000 0.620 588 A CB -0.525 18.412 19.000 -0.105 0.000 0.822 588 A HN 0.358 nan 8.150 nan 0.000 0.443 589 D N -1.709 118.720 120.400 0.050 0.000 2.117 589 D HA -0.162 4.481 4.640 0.004 0.000 0.197 589 D C 1.693 178.036 176.300 0.070 0.000 0.987 589 D CA 1.524 55.553 54.000 0.047 0.000 0.829 589 D CB -0.445 40.389 40.800 0.058 0.000 0.961 589 D HN 0.628 nan 8.370 nan 0.000 0.460 590 Y N 1.240 121.537 120.300 -0.004 0.000 2.200 590 Y HA -0.135 4.417 4.550 0.004 0.000 0.290 590 Y C 2.311 178.215 175.900 0.006 0.000 1.137 590 Y CA 1.171 59.271 58.100 -0.000 0.000 1.163 590 Y CB -0.186 38.269 38.460 -0.008 0.000 0.988 590 Y HN -0.115 nan 8.280 nan 0.000 0.518 591 I N 0.222 120.896 120.570 0.173 0.000 2.179 591 I HA -0.380 3.792 4.170 0.004 0.000 0.242 591 I C 1.753 177.956 176.117 0.143 0.000 1.088 591 I CA 2.111 63.468 61.300 0.096 0.000 1.357 591 I CB -0.516 37.443 38.000 -0.068 0.000 1.051 591 I HN 0.322 nan 8.210 nan 0.000 0.409 592 N N -0.377 118.376 118.700 0.087 0.000 2.171 592 N HA -0.125 4.617 4.740 0.004 0.000 0.184 592 N C 1.684 177.226 175.510 0.052 0.000 1.021 592 N CA 1.658 54.765 53.050 0.094 0.000 0.854 592 N CB -0.036 38.438 38.487 -0.022 0.000 0.994 592 N HN 0.236 nan 8.380 nan 0.000 0.426 593 T N 0.269 114.814 114.554 -0.014 0.000 2.851 593 T HA 0.051 4.404 4.350 0.004 0.000 0.262 593 T C 1.152 175.796 174.700 -0.093 0.000 1.043 593 T CA 0.524 62.592 62.100 -0.053 0.000 1.140 593 T CB -0.042 68.770 68.868 -0.093 0.000 0.872 593 T HN 0.232 nan 8.240 nan 0.000 0.446 597 D N 8.191 128.183 120.400 -0.680 0.000 2.359 597 D HA 0.467 5.110 4.640 0.004 0.000 0.230 597 D C -2.077 173.808 176.300 -0.691 0.000 1.118 597 D CA -2.329 51.416 54.000 -0.424 0.000 0.844 597 D CB 2.046 42.780 40.800 -0.110 0.000 1.059 597 D HN 0.203 nan 8.370 nan 0.000 0.493 598 P HA -0.124 nan 4.420 nan 0.000 0.218 598 P C 1.028 178.251 177.300 -0.128 0.000 1.148 598 P CA 1.186 64.197 63.100 -0.148 0.000 0.822 598 P CB 0.293 31.992 31.700 -0.001 0.000 0.784 599 T N -1.183 113.296 114.554 -0.124 0.000 2.732 599 T HA -0.104 4.248 4.350 0.004 0.000 0.261 599 T C 1.710 176.372 174.700 -0.062 0.000 1.040 599 T CA 2.179 64.235 62.100 -0.074 0.000 1.145 599 T CB -1.254 67.574 68.868 -0.066 0.000 0.866 599 T HN 0.286 nan 8.240 nan 0.000 0.427 600 T N -0.029 114.487 114.554 -0.064 0.000 3.129 600 T HA 0.116 4.468 4.350 0.004 0.000 0.251 600 T C 0.541 175.240 174.700 -0.001 0.000 1.117 600 T CA -0.038 62.065 62.100 0.004 0.000 1.034 600 T CB -0.510 68.424 68.868 0.110 0.000 0.968 600 T HN 0.511 nan 8.240 nan 0.000 0.526 601 Q N 0.125 119.834 119.800 -0.151 0.000 2.451 601 Q HA -0.156 4.186 4.340 0.004 0.000 0.305 601 Q C -0.782 175.213 176.000 -0.008 0.000 1.345 601 Q CA 0.280 56.000 55.803 -0.139 0.000 0.854 601 Q CB -2.157 26.639 28.738 0.095 0.000 1.162 601 Q HN 0.661 nan 8.270 nan 0.000 0.440 602 F N -1.059 118.562 119.950 -0.548 0.000 2.711 602 F HA 0.537 5.066 4.527 0.004 0.000 0.313 602 F C -1.085 174.344 175.800 -0.618 0.000 1.141 602 F CA -1.223 56.541 58.000 -0.394 0.000 0.941 602 F CB 1.230 40.032 39.000 -0.328 0.000 1.349 602 F HN -0.043 nan 8.300 nan 0.000 0.464 603 Y N 1.729 121.577 120.300 -0.752 0.000 2.387 603 Y HA 0.605 5.157 4.550 0.004 0.000 0.330 603 Y C -0.985 174.516 175.900 -0.665 0.000 1.133 603 Y CA -0.325 57.481 58.100 -0.490 0.000 1.152 603 Y CB 1.216 39.440 38.460 -0.393 0.000 1.215 603 Y HN 0.380 nan 8.280 nan 0.000 0.466 604 Y N -0.621 119.740 120.300 0.103 0.000 2.655 604 Y HA 0.292 4.844 4.550 0.003 0.000 0.336 604 Y C -0.525 175.382 175.900 0.011 0.000 1.154 604 Y CA -1.585 56.542 58.100 0.045 0.000 1.055 604 Y CB 1.026 39.498 38.460 0.020 0.000 1.295 604 Y HN 0.452 nan 8.280 nan 0.000 0.465 605 D N 0.579 121.072 120.400 0.155 0.000 2.371 605 D HA 0.445 5.087 4.640 0.004 0.000 0.242 605 D C -0.806 175.540 176.300 0.078 0.000 1.218 605 D CA 0.126 54.171 54.000 0.075 0.000 0.945 605 D CB 1.094 41.906 40.800 0.020 0.000 1.137 605 D HN 0.394 nan 8.370 nan 0.000 0.464 606 V N -2.066 117.889 119.914 0.068 0.000 2.876 606 V HA 0.619 4.741 4.120 0.004 0.000 0.312 606 V C -0.240 175.883 176.094 0.048 0.000 1.085 606 V CA -1.099 61.230 62.300 0.049 0.000 0.945 606 V CB 1.922 33.784 31.823 0.066 0.000 1.017 606 V HN 0.351 nan 8.190 nan 0.000 0.428 607 R N 2.407 122.921 120.500 0.023 0.000 2.560 607 R HA 0.595 4.937 4.340 0.004 0.000 0.270 607 R C -0.484 175.845 176.300 0.048 0.000 1.074 607 R CA -0.579 55.539 56.100 0.030 0.000 1.140 607 R CB 1.324 31.628 30.300 0.006 0.000 1.073 607 R HN 0.743 nan 8.270 nan 0.000 0.527 608 I N 2.824 123.428 120.570 0.055 0.000 2.276 608 I HA 0.071 4.243 4.170 0.004 0.000 0.290 608 I C 0.338 176.487 176.117 0.054 0.000 1.109 608 I CA 0.008 61.348 61.300 0.066 0.000 1.229 608 I CB 0.395 38.443 38.000 0.080 0.000 1.452 608 I HN 0.454 nan 8.210 nan 0.000 0.497 609 E N 3.923 124.148 120.200 0.041 0.000 2.391 609 E HA -0.017 4.335 4.350 0.004 0.000 0.255 609 E C 0.514 177.135 176.600 0.034 0.000 1.187 609 E CA -0.466 55.951 56.400 0.029 0.000 0.941 609 E CB 0.876 30.585 29.700 0.015 0.000 1.010 609 E HN 0.430 nan 8.360 nan 0.000 0.458 610 D N 0.781 121.197 120.400 0.027 0.000 2.190 610 D HA -0.136 4.506 4.640 0.004 0.000 0.200 610 D C 0.151 176.466 176.300 0.024 0.000 0.992 610 D CA 1.556 55.573 54.000 0.028 0.000 0.854 610 D CB 0.040 40.852 40.800 0.019 0.000 0.936 610 D HN 0.324 nan 8.370 nan 0.000 0.462 611 K N 0.074 120.485 120.400 0.018 0.000 2.501 611 K HA 0.477 4.799 4.320 0.004 0.000 0.252 611 K C -3.025 173.585 176.600 0.016 0.000 0.934 611 K CA -1.634 54.662 56.287 0.015 0.000 0.797 611 K CB 2.749 35.253 32.500 0.008 0.000 1.270 611 K HN -0.280 nan 8.250 nan 0.000 0.431 612 P HA 0.085 nan 4.420 nan 0.000 0.272 612 P C -0.295 177.010 177.300 0.010 0.000 1.240 612 P CA -0.484 62.630 63.100 0.023 0.000 0.791 612 P CB 0.716 32.436 31.700 0.033 0.000 0.978 613 L N 0.402 121.627 121.223 0.002 0.000 2.475 613 L HA 0.240 4.582 4.340 0.004 0.000 0.253 613 L C 2.126 178.990 176.870 -0.009 0.000 1.198 613 L CA -0.537 54.296 54.840 -0.011 0.000 0.814 613 L CB -0.108 41.935 42.059 -0.026 0.000 1.134 613 L HN 0.402 nan 8.230 nan 0.000 0.478 614 A N 1.333 124.145 122.820 -0.013 0.000 2.024 614 A HA -0.196 4.126 4.320 0.004 0.000 0.220 614 A C 1.589 179.166 177.584 -0.012 0.000 1.164 614 A CA 1.934 53.964 52.037 -0.011 0.000 0.643 614 A CB -0.866 18.127 19.000 -0.012 0.000 0.806 614 A HN 0.938 nan 8.150 nan 0.000 0.451 615 N N -1.320 117.367 118.700 -0.022 0.000 2.449 615 N HA 0.262 5.005 4.740 0.004 0.000 0.191 615 N C 1.005 176.502 175.510 -0.022 0.000 1.161 615 N CA 1.157 54.191 53.050 -0.027 0.000 0.863 615 N CB -0.300 38.159 38.487 -0.046 0.000 0.980 615 N HN 0.752 nan 8.380 nan 0.000 0.458 616 G N -1.103 107.694 108.800 -0.005 0.000 2.199 616 G HA2 -0.298 3.665 3.960 0.004 0.000 0.254 616 G HA3 -0.298 3.665 3.960 0.004 0.000 0.254 616 G C 0.071 175.003 174.900 0.053 0.000 0.982 616 G CA 0.140 45.258 45.100 0.029 0.000 0.632 616 G HN 0.504 nan 8.290 nan 0.000 0.529 617 c N 1.199 119.777 118.600 -0.035 0.000 2.644 617 c HA 0.587 5.159 4.570 0.004 0.000 0.417 617 c C 2.388 176.507 174.090 0.048 0.000 1.304 617 c CA 0.438 56.713 56.329 -0.090 0.000 2.035 617 c CB 0.716 43.095 42.510 -0.219 0.000 2.673 617 c HN 0.927 nan 8.230 nan 0.000 0.602 618 A N 2.367 125.286 122.820 0.165 0.000 2.019 618 A HA 0.398 4.720 4.320 0.004 0.000 0.219 618 A C 1.105 178.729 177.584 0.066 0.000 1.164 618 A CA 1.556 53.671 52.037 0.130 0.000 0.644 618 A CB -0.416 18.687 19.000 0.172 0.000 0.805 618 A HN 1.384 nan 8.150 nan 0.000 0.449 619 G N -1.709 107.114 108.800 0.039 0.000 2.441 619 G HA2 0.452 4.414 3.960 0.004 0.000 0.294 619 G HA3 0.452 4.414 3.960 0.004 0.000 0.294 619 G C -1.315 173.574 174.900 -0.019 0.000 1.393 619 G CA -0.899 44.206 45.100 0.008 0.000 0.796 619 G HN 0.175 nan 8.290 nan 0.000 0.494 620 K N 1.110 121.490 120.400 -0.033 0.000 2.126 620 K HA 0.428 4.751 4.320 0.004 0.000 0.257 620 K C -2.237 174.330 176.600 -0.056 0.000 1.007 620 K CA -1.367 54.888 56.287 -0.053 0.000 0.928 620 K CB 1.218 33.678 32.500 -0.067 0.000 1.013 620 K HN 0.283 nan 8.250 nan 0.000 0.473 621 P HA 0.017 nan 4.420 nan 0.000 0.268 621 P C -0.256 176.941 177.300 -0.173 0.000 1.205 621 P CA -0.073 62.998 63.100 -0.049 0.000 0.771 621 P CB 0.391 32.096 31.700 0.010 0.000 0.858 622 I N 4.282 124.759 120.570 -0.156 0.000 2.280 622 I HA -0.051 4.121 4.170 0.004 0.000 0.287 622 I C 1.952 177.798 176.117 -0.451 0.000 1.121 622 I CA -0.099 61.053 61.300 -0.246 0.000 1.798 622 I CB -1.206 36.685 38.000 -0.181 0.000 1.489 622 I HN 0.193 nan 8.210 nan 0.000 0.805 623 V N 2.390 121.903 119.914 -0.670 0.000 2.515 623 V HA -0.175 3.947 4.120 0.004 0.000 0.250 623 V C 2.104 177.938 176.094 -0.434 0.000 1.058 623 V CA 1.548 63.274 62.300 -0.956 0.000 1.064 623 V CB -0.662 30.705 31.823 -0.759 0.000 0.675 623 V HN 0.648 nan 8.190 nan 0.000 0.461 624 E N 1.700 121.722 120.200 -0.297 0.000 2.265 624 E HA -0.257 4.095 4.350 0.004 0.000 0.196 624 E C 1.976 178.435 176.600 -0.235 0.000 0.996 624 E CA 1.359 57.669 56.400 -0.150 0.000 0.832 624 E CB -0.502 29.154 29.700 -0.073 0.000 0.756 624 E HN 0.675 nan 8.360 nan 0.000 0.491 625 R N 0.912 121.151 120.500 -0.435 0.000 2.310 625 R HA 0.188 4.530 4.340 0.004 0.000 0.202 625 R C 0.699 176.968 176.300 -0.051 0.000 0.933 625 R CA 0.450 56.182 56.100 -0.613 0.000 1.054 625 R CB 0.252 30.056 30.300 -0.826 0.000 0.985 625 R HN 0.308 nan 8.270 nan 0.000 0.489 626 G N 1.554 110.382 108.800 0.046 0.000 2.756 626 G HA2 -0.247 3.715 3.960 0.004 0.000 0.678 626 G HA3 -0.247 3.715 3.960 0.004 0.000 0.678 626 G C -1.061 174.029 174.900 0.316 0.000 1.349 626 G CA -0.900 44.309 45.100 0.182 0.000 0.847 626 G HN 0.145 nan 8.290 nan 0.000 0.548 627 K N 0.069 120.622 120.400 0.255 0.000 2.118 627 K HA 0.650 4.972 4.320 0.004 0.000 0.267 627 K C 0.680 177.521 176.600 0.400 0.000 0.991 627 K CA 0.135 56.583 56.287 0.270 0.000 0.916 627 K CB 1.663 34.065 32.500 -0.163 0.000 1.041 627 K HN 1.064 nan 8.250 nan 0.000 0.455 628 G N 0.976 110.067 108.800 0.485 0.000 2.766 628 G HA2 0.297 4.259 3.960 0.004 0.000 0.288 628 G HA3 0.297 4.259 3.960 0.004 0.000 0.288 628 G C -2.327 172.553 174.900 -0.034 0.000 1.408 628 G CA -1.050 44.269 45.100 0.365 0.000 0.852 628 G HN 0.287 nan 8.290 nan 0.000 0.487 629 P HA -0.105 nan 4.420 nan 0.000 0.222 629 P C 1.331 177.915 177.300 -1.192 0.000 1.147 629 P CA 1.179 63.427 63.100 -1.420 0.000 0.790 629 P CB 0.212 31.588 31.700 -0.540 0.000 0.780 630 E N 0.569 120.457 120.200 -0.520 0.000 2.265 630 E HA -0.127 4.226 4.350 0.004 0.000 0.196 630 E C 2.091 178.392 176.600 -0.498 0.000 0.996 630 E CA 1.512 57.670 56.400 -0.404 0.000 0.832 630 E CB -1.681 27.897 29.700 -0.204 0.000 0.756 630 E HN 0.220 nan 8.360 nan 0.000 0.491 631 G N 1.341 109.810 108.800 -0.551 0.000 2.448 631 G HA2 -0.233 3.729 3.960 0.004 0.000 0.219 631 G HA3 -0.233 3.729 3.960 0.004 0.000 0.219 631 G C 1.057 175.568 174.900 -0.649 0.000 1.127 631 G CA 0.764 45.383 45.100 -0.802 0.000 0.766 631 G HN 0.591 nan 8.290 nan 0.000 0.552 632 W N -0.498 120.576 121.300 -0.377 0.000 3.239 632 W HA 0.593 5.255 4.660 0.004 0.000 0.368 632 W C 1.730 178.103 176.519 -0.243 0.000 1.154 632 W CA -0.344 56.827 57.345 -0.290 0.000 1.860 632 W CB -0.325 29.021 29.460 -0.189 0.000 1.094 632 W HN 0.008 nan 8.180 nan 0.000 0.643 633 S N 2.049 117.578 115.700 -0.285 0.000 2.382 633 S HA -0.081 4.391 4.470 0.004 0.000 0.228 633 S C -0.444 173.977 174.600 -0.298 0.000 1.027 633 S CA 1.638 59.670 58.200 -0.279 0.000 0.991 633 S CB -0.986 61.922 63.200 -0.487 0.000 0.823 633 S HN 0.071 nan 8.310 nan 0.000 0.469 634 P HA 0.008 nan 4.420 nan 0.000 0.220 634 P C 1.035 178.145 177.300 -0.317 0.000 1.148 634 P CA 0.688 63.446 63.100 -0.570 0.000 0.803 634 P CB 0.044 31.059 31.700 -1.141 0.000 0.782 635 L N -2.237 118.886 121.223 -0.168 0.000 2.068 635 L HA -0.042 4.300 4.340 0.004 0.000 0.204 635 L C 2.231 179.205 176.870 0.173 0.000 1.076 635 L CA 1.543 56.421 54.840 0.063 0.000 0.753 635 L CB -1.633 40.455 42.059 0.048 0.000 0.910 635 L HN -0.079 nan 8.230 nan 0.000 0.439 636 F N 0.866 120.817 119.950 0.001 0.000 2.126 636 F HA -0.229 4.300 4.527 0.003 0.000 0.299 636 F C 2.209 177.989 175.800 -0.034 0.000 1.096 636 F CA 1.671 59.656 58.000 -0.025 0.000 1.255 636 F CB -0.419 38.542 39.000 -0.064 0.000 0.997 636 F HN 0.182 nan 8.300 nan 0.000 0.479 637 N N 0.242 118.726 118.700 -0.361 0.000 2.467 637 N HA 0.063 4.805 4.740 0.004 0.000 0.184 637 N C 1.476 176.875 175.510 -0.186 0.000 1.106 637 N CA 1.022 53.850 53.050 -0.370 0.000 0.892 637 N CB -0.117 38.266 38.487 -0.174 0.000 0.969 637 N HN 0.505 nan 8.380 nan 0.000 0.454 638 G N 0.490 109.193 108.800 -0.161 0.000 2.147 638 G HA2 -0.315 3.647 3.960 0.004 0.000 0.244 638 G HA3 -0.315 3.647 3.960 0.004 0.000 0.244 638 G C 0.907 175.617 174.900 -0.317 0.000 1.005 638 G CA 0.475 45.506 45.100 -0.115 0.000 0.713 638 G HN 0.504 nan 8.290 nan 0.000 0.515 639 A N -0.727 121.733 122.820 -0.601 0.000 2.081 639 A HA 0.746 5.068 4.320 0.004 0.000 0.214 639 A C 1.775 179.090 177.584 -0.449 0.000 1.158 639 A CA 1.708 53.162 52.037 -0.972 0.000 0.724 639 A CB -0.078 18.311 19.000 -1.019 0.000 0.826 639 A HN 2.104 nan 8.150 nan 0.000 0.463 640 A N 0.739 123.391 122.820 -0.280 0.000 2.445 640 A HA 0.484 4.807 4.320 0.004 0.000 0.242 640 A C 0.897 178.400 177.584 -0.135 0.000 1.075 640 A CA 0.413 52.312 52.037 -0.230 0.000 0.777 640 A CB -0.326 18.444 19.000 -0.383 0.000 1.013 640 A HN 0.707 nan 8.150 nan 0.000 0.493 641 T N -0.217 114.236 114.554 -0.168 0.000 2.849 641 T HA 0.283 4.635 4.350 0.004 0.000 0.284 641 T C 0.934 175.551 174.700 -0.138 0.000 1.004 641 T CA 0.149 62.187 62.100 -0.103 0.000 1.021 641 T CB 0.931 69.713 68.868 -0.144 0.000 1.013 641 T HN 0.632 nan 8.240 nan 0.000 0.527 642 Q N 1.338 121.142 119.800 0.006 0.000 2.096 642 Q HA -0.043 4.299 4.340 0.004 0.000 0.204 642 Q C 2.375 178.334 176.000 -0.067 0.000 0.982 642 Q CA 2.345 58.178 55.803 0.050 0.000 0.850 642 Q CB -1.125 27.678 28.738 0.109 0.000 0.901 642 Q HN 0.930 nan 8.270 nan 0.000 0.422 643 A N 0.418 123.179 122.820 -0.098 0.000 1.902 643 A HA -0.216 4.106 4.320 0.004 0.000 0.217 643 A C 1.886 179.338 177.584 -0.220 0.000 1.181 643 A CA 1.796 53.763 52.037 -0.116 0.000 0.623 643 A CB -0.770 18.161 19.000 -0.115 0.000 0.818 643 A HN 0.506 nan 8.150 nan 0.000 0.443 644 N N 0.367 118.817 118.700 -0.417 0.000 2.244 644 N HA -0.030 4.712 4.740 0.004 0.000 0.183 644 N C 1.768 177.064 175.510 -0.357 0.000 1.016 644 N CA 1.417 54.037 53.050 -0.717 0.000 0.866 644 N CB -0.551 37.262 38.487 -1.124 0.000 0.980 644 N HN 0.480 nan 8.380 nan 0.000 0.430 645 A N 1.199 123.801 122.820 -0.363 0.000 1.898 645 A HA -0.117 4.205 4.320 0.004 0.000 0.216 645 A C 1.728 179.224 177.584 -0.146 0.000 1.181 645 A CA 1.395 53.200 52.037 -0.386 0.000 0.620 645 A CB -0.363 18.053 19.000 -0.974 0.000 0.819 645 A HN 0.096 nan 8.150 nan 0.000 0.442 646 D N 0.367 120.742 120.400 -0.042 0.000 2.123 646 D HA -0.110 4.533 4.640 0.004 0.000 0.196 646 D C 2.209 178.503 176.300 -0.009 0.000 0.992 646 D CA 1.568 55.600 54.000 0.053 0.000 0.833 646 D CB -0.428 40.445 40.800 0.122 0.000 0.954 646 D HN 0.436 nan 8.370 nan 0.000 0.455 647 A N 0.686 123.520 122.820 0.023 0.000 1.877 647 A HA -0.125 4.197 4.320 0.004 0.000 0.216 647 A C 2.575 180.248 177.584 0.148 0.000 1.186 647 A CA 1.200 53.303 52.037 0.111 0.000 0.620 647 A CB -0.754 18.392 19.000 0.242 0.000 0.822 647 A HN 0.145 nan 8.150 nan 0.000 0.443 648 V N -0.296 119.706 119.914 0.147 0.000 2.343 648 V HA -0.214 3.908 4.120 0.004 0.000 0.247 648 V C 2.564 178.749 176.094 0.152 0.000 1.051 648 V CA 1.888 64.327 62.300 0.233 0.000 1.036 648 V CB -0.667 31.229 31.823 0.122 0.000 0.654 648 V HN 0.368 nan 8.190 nan 0.000 0.451 649 V N -0.223 119.654 119.914 -0.062 0.000 2.407 649 V HA -0.280 3.842 4.120 0.004 0.000 0.248 649 V C 2.430 178.439 176.094 -0.142 0.000 1.055 649 V CA 1.926 64.090 62.300 -0.227 0.000 1.049 649 V CB -0.722 30.699 31.823 -0.669 0.000 0.662 649 V HN 0.555 nan 8.190 nan 0.000 0.455 650 K N -0.369 119.987 120.400 -0.073 0.000 2.097 650 K HA -0.069 4.253 4.320 0.004 0.000 0.206 650 K C 1.042 177.672 176.600 0.050 0.000 1.049 650 K CA 0.706 56.984 56.287 -0.015 0.000 0.933 650 K CB -0.223 32.286 32.500 0.016 0.000 0.717 650 K HN 0.329 nan 8.250 nan 0.000 0.442 654 D N 2.629 123.070 120.400 0.069 0.000 2.343 654 D HA 0.164 4.807 4.640 0.004 0.000 0.255 654 D C -1.716 174.610 176.300 0.044 0.000 1.187 654 D CA -1.487 52.540 54.000 0.044 0.000 0.875 654 D CB 2.001 42.816 40.800 0.025 0.000 1.136 654 D HN -0.080 nan 8.370 nan 0.000 0.469 655 P HA -0.065 nan 4.420 nan 0.000 0.222 655 P C 0.555 177.851 177.300 -0.005 0.000 1.147 655 P CA 1.105 64.227 63.100 0.037 0.000 0.790 655 P CB 0.298 32.022 31.700 0.040 0.000 0.780 656 K N -1.210 119.170 120.400 -0.034 0.000 2.426 656 K HA 0.036 4.358 4.320 0.004 0.000 0.193 656 K C 1.329 177.835 176.600 -0.157 0.000 1.028 656 K CA 0.553 56.790 56.287 -0.083 0.000 1.047 656 K CB 0.251 32.711 32.500 -0.066 0.000 0.821 656 K HN 0.172 nan 8.250 nan 0.000 0.513 657 E N -0.534 119.573 120.200 -0.154 0.000 2.406 657 E HA 0.130 4.482 4.350 0.004 0.000 0.200 657 E C 0.992 177.333 176.600 -0.433 0.000 1.034 657 E CA 0.647 56.849 56.400 -0.329 0.000 1.057 657 E CB 0.006 29.571 29.700 -0.225 0.000 1.751 657 E HN 0.095 nan 8.360 nan 0.000 0.525 658 F N 0.531 120.517 119.950 0.060 0.000 2.746 658 F HA 0.245 4.774 4.527 0.003 0.000 0.313 658 F C 1.000 176.877 175.800 0.128 0.000 1.095 658 F CA -0.388 57.699 58.000 0.144 0.000 1.224 658 F CB 0.447 39.587 39.000 0.233 0.000 1.060 658 F HN -0.094 nan 8.300 nan 0.000 0.584 659 N N 1.807 120.646 118.700 0.232 0.000 3.050 659 N HA 0.046 4.788 4.740 0.004 0.000 0.289 659 N C -0.001 175.610 175.510 0.169 0.000 1.209 659 N CA 0.209 53.367 53.050 0.179 0.000 1.154 659 N CB -0.214 38.343 38.487 0.117 0.000 1.444 659 N HN 0.201 nan 8.380 nan 0.000 0.529 660 T N -2.087 112.597 114.554 0.217 0.000 2.880 660 T HA 0.211 4.563 4.350 0.004 0.000 0.279 660 T C 1.391 176.260 174.700 0.282 0.000 0.990 660 T CA -0.719 61.518 62.100 0.228 0.000 0.938 660 T CB 0.288 69.300 68.868 0.240 0.000 1.206 660 T HN 0.128 nan 8.240 nan 0.000 0.573 661 F N 1.072 121.104 119.950 0.137 0.000 2.085 661 F HA -0.041 4.488 4.527 0.003 0.000 0.299 661 F C 0.721 176.663 175.800 0.236 0.000 1.096 661 F CA 1.469 59.557 58.000 0.148 0.000 1.227 661 F CB -0.264 38.738 39.000 0.003 0.000 0.983 661 F HN 0.263 nan 8.300 nan 0.000 0.482 662 V N 2.390 122.426 119.914 0.203 0.000 2.326 662 V HA 0.303 4.425 4.120 0.004 0.000 0.281 662 V C -2.231 174.006 176.094 0.239 0.000 1.015 662 V CA -1.890 60.448 62.300 0.063 0.000 0.823 662 V CB 1.102 32.904 31.823 -0.034 0.000 1.009 662 V HN -0.057 nan 8.190 nan 0.000 0.436 663 P HA 0.304 nan 4.420 nan 0.000 0.272 663 P C 0.183 177.799 177.300 0.527 0.000 1.240 663 P CA -0.192 63.144 63.100 0.394 0.000 0.791 663 P CB 0.343 32.251 31.700 0.347 0.000 0.978 664 L N -2.029 119.473 121.223 0.464 0.000 3.533 664 L HA -0.195 4.147 4.340 0.004 0.000 0.477 664 L C 0.898 178.212 176.870 0.740 0.000 1.306 664 L CA 0.167 55.289 54.840 0.469 0.000 0.850 664 L CB -2.397 39.697 42.059 0.058 0.000 1.654 664 L HN 0.576 nan 8.230 nan 0.000 0.863 665 G N -0.452 108.818 108.800 0.784 0.000 2.653 665 G HA2 0.263 4.225 3.960 0.004 0.000 0.265 665 G HA3 0.263 4.225 3.960 0.004 0.000 0.265 665 G C 0.925 176.282 174.900 0.761 0.000 1.237 665 G CA 0.383 45.908 45.100 0.708 0.000 0.946 665 G HN 0.319 nan 8.290 nan 0.000 0.522 666 T N -1.303 113.634 114.554 0.639 0.000 3.160 666 T HA 0.445 4.798 4.350 0.004 0.000 0.257 666 T C 0.478 175.516 174.700 0.563 0.000 1.147 666 T CA 1.100 63.552 62.100 0.587 0.000 1.064 666 T CB -0.732 68.490 68.868 0.591 0.000 0.949 666 T HN 1.220 nan 8.240 nan 0.000 0.526 667 A N 0.114 123.321 122.820 0.646 0.000 2.565 667 A HA 0.742 5.064 4.320 0.004 0.000 0.298 667 A C -0.240 177.581 177.584 0.395 0.000 1.062 667 A CA -0.439 51.931 52.037 0.555 0.000 0.723 667 A CB 0.585 19.894 19.000 0.515 0.000 1.282 667 A HN 0.474 nan 8.150 nan 0.000 0.400 668 A N 1.252 124.017 122.820 -0.092 0.000 2.425 668 A HA 0.512 4.834 4.320 0.004 0.000 0.242 668 A C 1.152 178.454 177.584 -0.470 0.000 1.077 668 A CA -0.052 51.527 52.037 -0.762 0.000 0.781 668 A CB -0.165 18.229 19.000 -1.010 0.000 1.020 668 A HN 1.251 nan 8.150 nan 0.000 0.494 669 L N 1.107 121.929 121.223 -0.668 0.000 2.187 669 L HA -0.192 4.150 4.340 0.004 0.000 0.213 669 L C 2.654 179.211 176.870 -0.522 0.000 1.100 669 L CA 1.947 56.229 54.840 -0.929 0.000 0.765 669 L CB -0.733 40.961 42.059 -0.609 0.000 0.904 669 L HN 1.001 nan 8.230 nan 0.000 0.437 670 T N -4.088 110.273 114.554 -0.320 0.000 3.088 670 T HA -0.052 4.300 4.350 0.004 0.000 0.259 670 T C 1.016 175.704 174.700 -0.021 0.000 1.122 670 T CA -0.232 61.780 62.100 -0.147 0.000 1.095 670 T CB -0.414 68.371 68.868 -0.138 0.000 0.930 670 T HN 0.156 nan 8.240 nan 0.000 0.508 671 N N 3.266 121.976 118.700 0.017 0.000 2.447 671 N HA 0.055 4.798 4.740 0.004 0.000 0.263 671 N C -1.347 174.307 175.510 0.239 0.000 1.226 671 N CA -1.451 51.702 53.050 0.172 0.000 0.906 671 N CB 1.594 40.230 38.487 0.249 0.000 1.060 671 N HN 0.111 nan 8.380 nan 0.000 0.468 672 P HA -0.098 nan 4.420 nan 0.000 0.221 672 P C 0.195 177.585 177.300 0.150 0.000 1.145 672 P CA 0.992 64.245 63.100 0.255 0.000 0.795 672 P CB 0.239 32.172 31.700 0.389 0.000 0.775 673 A N -1.397 121.533 122.820 0.182 0.000 2.500 673 A HA 0.246 4.568 4.320 0.004 0.000 0.267 673 A C 0.349 178.034 177.584 0.168 0.000 1.290 673 A CA -0.687 51.395 52.037 0.075 0.000 0.928 673 A CB -1.092 17.930 19.000 0.037 0.000 1.066 673 A HN 0.104 nan 8.150 nan 0.000 0.516 674 F N 0.981 120.990 119.950 0.099 0.000 2.563 674 F HA 0.445 4.974 4.527 0.004 0.000 0.363 674 F C 0.599 176.452 175.800 0.089 0.000 1.123 674 F CA 0.650 58.714 58.000 0.107 0.000 1.307 674 F CB 0.665 39.714 39.000 0.082 0.000 1.115 674 F HN 0.122 nan 8.300 nan 0.000 0.592 675 G N 4.126 112.274 108.800 -1.088 0.000 2.608 675 G HA2 0.492 4.454 3.960 0.004 0.000 0.285 675 G HA3 0.492 4.454 3.960 0.004 0.000 0.285 675 G C -0.065 174.273 174.900 -0.936 0.000 1.407 675 G CA -0.220 44.422 45.100 -0.764 0.000 1.276 675 G HN 1.064 nan 8.290 nan 0.000 0.587 676 A N 1.498 123.885 122.820 -0.721 0.000 2.076 676 A HA 0.000 4.322 4.320 0.004 0.000 0.220 676 A C 1.516 179.025 177.584 -0.125 0.000 1.160 676 A CA 1.866 53.743 52.037 -0.267 0.000 0.653 676 A CB 0.041 19.062 19.000 0.035 0.000 0.801 676 A HN 0.504 nan 8.150 nan 0.000 0.455 677 D N -0.701 119.625 120.400 -0.122 0.000 2.398 677 D HA 0.155 4.797 4.640 0.004 0.000 0.210 677 D C -0.122 176.184 176.300 0.011 0.000 1.094 677 D CA -0.103 53.871 54.000 -0.044 0.000 0.839 677 D CB 0.252 41.034 40.800 -0.029 0.000 0.963 677 D HN 0.223 nan 8.370 nan 0.000 0.506 678 I N 1.931 122.486 120.570 -0.024 0.000 2.396 678 I HA -0.036 4.136 4.170 0.004 0.000 0.289 678 I C 1.570 177.794 176.117 0.178 0.000 1.056 678 I CA -0.462 60.883 61.300 0.076 0.000 1.365 678 I CB -0.004 38.014 38.000 0.029 0.000 1.407 678 I HN -0.089 nan 8.210 nan 0.000 0.509 679 Y N 5.398 125.695 120.300 -0.006 0.000 2.030 679 Y HA -0.237 4.315 4.550 0.004 0.000 0.272 679 Y C 1.586 177.417 175.900 -0.115 0.000 1.185 679 Y CA 2.227 60.291 58.100 -0.060 0.000 1.120 679 Y CB -0.336 38.087 38.460 -0.061 0.000 0.955 679 Y HN 0.600 nan 8.280 nan 0.000 0.495 680 W N -0.987 120.578 121.300 0.441 0.000 3.102 680 W HA 0.329 4.991 4.660 0.004 0.000 0.401 680 W C 0.619 177.303 176.519 0.276 0.000 1.070 680 W CA -0.100 57.434 57.345 0.315 0.000 1.921 680 W CB 0.374 29.961 29.460 0.212 0.000 1.118 680 W HN -0.301 nan 8.180 nan 0.000 0.647 681 R N 0.144 120.865 120.500 0.368 0.000 2.698 681 R HA 0.364 4.706 4.340 0.004 0.000 0.422 681 R C 0.789 177.181 176.300 0.153 0.000 1.073 681 R CA 0.374 56.648 56.100 0.289 0.000 1.054 681 R CB 0.742 31.173 30.300 0.219 0.000 1.373 681 R HN 0.243 nan 8.270 nan 0.000 0.593 682 G N 0.344 109.289 108.800 0.241 0.000 4.003 682 G HA2 -0.129 3.833 3.960 0.004 0.000 0.204 682 G HA3 -0.129 3.833 3.960 0.004 0.000 0.204 682 G C -0.135 174.938 174.900 0.288 0.000 1.077 682 G CA -0.747 44.477 45.100 0.206 0.000 0.872 682 G HN -0.000 nan 8.290 nan 0.000 0.350 683 R N 1.007 121.613 120.500 0.176 0.000 2.698 683 R HA 0.412 4.754 4.340 0.004 0.000 0.266 683 R C 0.053 176.521 176.300 0.280 0.000 1.026 683 R CA -0.021 56.149 56.100 0.117 0.000 1.102 683 R CB 0.727 30.945 30.300 -0.135 0.000 0.978 683 R HN 0.184 nan 8.270 nan 0.000 0.436 684 V N 3.665 123.726 119.914 0.245 0.000 2.407 684 V HA 0.210 4.332 4.120 0.004 0.000 0.278 684 V C -0.343 175.939 176.094 0.313 0.000 1.037 684 V CA -0.526 62.018 62.300 0.406 0.000 0.900 684 V CB 0.719 32.786 31.823 0.407 0.000 0.983 684 V HN 0.559 nan 8.190 nan 0.000 0.459 685 W N 2.801 124.268 121.300 0.278 0.000 2.551 685 W HA 0.539 5.201 4.660 0.004 0.000 0.330 685 W C 0.998 177.743 176.519 0.377 0.000 1.063 685 W CA -0.696 56.815 57.345 0.277 0.000 1.222 685 W CB 1.467 31.115 29.460 0.313 0.000 1.349 685 W HN 0.331 nan 8.180 nan 0.000 0.536 686 V N 1.713 121.973 119.914 0.576 0.000 2.594 686 V HA -0.274 3.848 4.120 0.004 0.000 0.253 686 V C 1.943 178.142 176.094 0.174 0.000 1.069 686 V CA 2.261 64.812 62.300 0.418 0.000 1.082 686 V CB -0.727 31.360 31.823 0.441 0.000 0.680 686 V HN 0.691 nan 8.190 nan 0.000 0.469 687 D N -0.247 120.145 120.400 -0.013 0.000 2.091 687 D HA -0.211 4.431 4.640 0.004 0.000 0.199 687 D C 1.976 177.761 176.300 -0.859 0.000 0.980 687 D CA 1.086 54.414 54.000 -1.120 0.000 0.831 687 D CB -0.501 39.563 40.800 -1.227 0.000 0.987 687 D HN 0.334 nan 8.370 nan 0.000 0.460 688 Q N -0.443 119.335 119.800 -0.036 0.000 2.170 688 Q HA -0.083 4.260 4.340 0.004 0.000 0.203 688 Q C 2.111 178.373 176.000 0.436 0.000 0.976 688 Q CA 0.558 56.584 55.803 0.372 0.000 0.858 688 Q CB -0.665 28.428 28.738 0.592 0.000 0.907 688 Q HN 0.417 nan 8.270 nan 0.000 0.433 689 F N -0.344 119.717 119.950 0.185 0.000 2.075 689 F HA -0.224 4.305 4.527 0.003 0.000 0.297 689 F C 2.123 177.873 175.800 -0.083 0.000 1.113 689 F CA 1.560 59.596 58.000 0.059 0.000 1.218 689 F CB -0.491 38.526 39.000 0.029 0.000 0.984 689 F HN 0.151 nan 8.300 nan 0.000 0.472 690 W N 0.138 121.319 121.300 -0.198 0.000 2.363 690 W HA -0.225 4.437 4.660 0.003 0.000 0.296 690 W C 1.927 178.326 176.519 -0.199 0.000 1.212 690 W CA 1.866 59.067 57.345 -0.239 0.000 1.260 690 W CB -0.671 28.751 29.460 -0.064 0.000 1.131 690 W HN 0.053 nan 8.180 nan 0.000 0.530 691 F N 0.672 120.496 119.950 -0.210 0.000 2.126 691 F HA -0.065 4.464 4.527 0.003 0.000 0.299 691 F C 2.607 178.209 175.800 -0.331 0.000 1.096 691 F CA 1.456 59.129 58.000 -0.545 0.000 1.255 691 F CB -1.581 37.170 39.000 -0.415 0.000 0.997 691 F HN -0.001 nan 8.300 nan 0.000 0.479 692 G N 0.023 108.672 108.800 -0.251 0.000 2.421 692 G HA2 -0.207 3.755 3.960 0.004 0.000 0.216 692 G HA3 -0.207 3.755 3.960 0.004 0.000 0.216 692 G C 1.670 176.135 174.900 -0.726 0.000 1.171 692 G CA 0.809 45.351 45.100 -0.930 0.000 0.775 692 G HN 0.228 nan 8.290 nan 0.000 0.543 693 L N 0.517 121.240 121.223 -0.834 0.000 2.046 693 L HA 0.019 4.361 4.340 0.004 0.000 0.208 693 L C 2.777 179.312 176.870 -0.559 0.000 1.077 693 L CA 1.330 55.615 54.840 -0.925 0.000 0.747 693 L CB -0.329 40.816 42.059 -1.523 0.000 0.896 693 L HN 0.021 nan 8.230 nan 0.000 0.432 694 K N 0.066 120.211 120.400 -0.425 0.000 2.097 694 K HA 0.030 4.352 4.320 0.004 0.000 0.205 694 K C 1.265 177.883 176.600 0.030 0.000 1.050 694 K CA 0.792 57.010 56.287 -0.116 0.000 0.938 694 K CB -0.841 31.497 32.500 -0.271 0.000 0.718 694 K HN 0.368 nan 8.250 nan 0.000 0.442 698 R N 0.086 120.608 120.500 0.036 0.000 2.127 698 R HA -0.107 4.235 4.340 0.004 0.000 0.238 698 R C 0.660 176.765 176.300 -0.325 0.000 1.134 698 R CA 1.732 57.741 56.100 -0.151 0.000 0.975 698 R CB -0.106 30.062 30.300 -0.219 0.000 0.865 698 R HN 0.208 nan 8.270 nan 0.000 0.447 699 Y N -0.693 119.639 120.300 0.054 0.000 2.625 699 Y HA 0.283 4.835 4.550 0.003 0.000 0.285 699 Y C 1.060 176.924 175.900 -0.061 0.000 1.168 699 Y CA 0.354 58.485 58.100 0.051 0.000 1.250 699 Y CB 1.037 39.580 38.460 0.139 0.000 1.130 699 Y HN 0.355 nan 8.280 nan 0.000 0.526 700 G N -0.715 108.057 108.800 -0.047 0.000 2.132 700 G HA2 -0.332 3.630 3.960 0.004 0.000 0.234 700 G HA3 -0.332 3.630 3.960 0.004 0.000 0.234 700 G C -0.209 174.458 174.900 -0.389 0.000 0.989 700 G CA -0.199 44.761 45.100 -0.234 0.000 0.676 700 G HN 0.458 nan 8.290 nan 0.000 0.522 701 Y N -0.386 119.939 120.300 0.041 0.000 2.722 701 Y HA 0.403 4.955 4.550 0.004 0.000 0.314 701 Y C 1.876 177.784 175.900 0.013 0.000 1.008 701 Y CA -0.129 57.983 58.100 0.020 0.000 1.294 701 Y CB 0.322 38.785 38.460 0.005 0.000 1.231 701 Y HN 0.266 nan 8.280 nan 0.000 0.558 702 R N 0.480 121.052 120.500 0.120 0.000 2.096 702 R HA -0.155 4.187 4.340 0.004 0.000 0.235 702 R C 1.128 177.504 176.300 0.127 0.000 1.127 702 R CA 1.998 58.186 56.100 0.146 0.000 0.968 702 R CB 0.094 30.468 30.300 0.124 0.000 0.861 702 R HN 0.337 nan 8.270 nan 0.000 0.440 703 D N 0.670 121.126 120.400 0.094 0.000 2.117 703 D HA -0.169 4.474 4.640 0.004 0.000 0.197 703 D C 1.316 177.663 176.300 0.078 0.000 0.987 703 D CA 1.243 55.292 54.000 0.081 0.000 0.829 703 D CB -0.257 40.582 40.800 0.064 0.000 0.961 703 D HN 0.317 nan 8.370 nan 0.000 0.460 704 D N 0.414 120.868 120.400 0.089 0.000 2.178 704 D HA -0.057 4.585 4.640 0.004 0.000 0.202 704 D C 1.997 178.281 176.300 -0.026 0.000 0.974 704 D CA 0.751 54.780 54.000 0.048 0.000 0.841 704 D CB 0.063 40.901 40.800 0.064 0.000 0.953 704 D HN 0.096 nan 8.370 nan 0.000 0.478 705 A N 0.908 123.691 122.820 -0.061 0.000 1.898 705 A HA -0.104 4.218 4.320 0.004 0.000 0.216 705 A C 2.385 179.869 177.584 -0.167 0.000 1.181 705 A CA 0.735 52.615 52.037 -0.262 0.000 0.620 705 A CB -0.709 18.053 19.000 -0.397 0.000 0.819 705 A HN 0.173 nan 8.150 nan 0.000 0.442 706 L N -0.647 120.606 121.223 0.050 0.000 2.083 706 L HA -0.218 4.124 4.340 0.004 0.000 0.209 706 L C 2.561 179.497 176.870 0.110 0.000 1.083 706 L CA 1.678 56.609 54.840 0.152 0.000 0.752 706 L CB -0.406 41.750 42.059 0.161 0.000 0.899 706 L HN 0.366 nan 8.230 nan 0.000 0.433 707 K N 0.092 120.531 120.400 0.065 0.000 2.026 707 K HA -0.136 4.186 4.320 0.004 0.000 0.208 707 K C 2.082 178.727 176.600 0.074 0.000 1.048 707 K CA 1.150 57.475 56.287 0.063 0.000 0.929 707 K CB -0.217 32.310 32.500 0.044 0.000 0.713 707 K HN 0.246 nan 8.250 nan 0.000 0.439 708 L N 0.533 121.783 121.223 0.045 0.000 2.131 708 L HA -0.151 4.191 4.340 0.004 0.000 0.210 708 L C 2.588 179.634 176.870 0.295 0.000 1.092 708 L CA 0.933 55.836 54.840 0.105 0.000 0.759 708 L CB -0.616 41.423 42.059 -0.032 0.000 0.903 708 L HN 0.221 nan 8.230 nan 0.000 0.435 709 A N 0.130 123.102 122.820 0.253 0.000 1.930 709 A HA -0.274 4.048 4.320 0.004 0.000 0.217 709 A C 1.956 179.864 177.584 0.539 0.000 1.175 709 A CA 2.014 54.341 52.037 0.483 0.000 0.627 709 A CB -0.549 18.682 19.000 0.386 0.000 0.815 709 A HN 0.458 nan 8.150 nan 0.000 0.443 710 D N -0.998 119.590 120.400 0.314 0.000 2.117 710 D HA -0.114 4.528 4.640 0.004 0.000 0.198 710 D C 1.889 178.255 176.300 0.109 0.000 0.982 710 D CA 1.981 56.106 54.000 0.209 0.000 0.828 710 D CB -0.186 40.679 40.800 0.109 0.000 0.967 710 D HN 0.324 nan 8.370 nan 0.000 0.464 711 T N -0.486 114.092 114.554 0.040 0.000 2.684 711 T HA -0.158 4.194 4.350 0.004 0.000 0.267 711 T C 1.600 176.164 174.700 -0.227 0.000 1.036 711 T CA 1.213 63.188 62.100 -0.209 0.000 1.148 711 T CB -0.665 68.143 68.868 -0.099 0.000 0.863 711 T HN 0.255 nan 8.240 nan 0.000 0.436 712 F N 0.890 120.790 119.950 -0.084 0.000 2.095 712 F HA -0.090 4.439 4.527 0.004 0.000 0.298 712 F C 1.920 177.628 175.800 -0.153 0.000 1.104 712 F CA 1.155 59.048 58.000 -0.178 0.000 1.232 712 F CB -0.432 38.465 39.000 -0.173 0.000 0.987 712 F HN 0.111 nan 8.300 nan 0.000 0.475 713 F N 1.249 121.252 119.950 0.087 0.000 2.171 713 F HA -0.132 4.397 4.527 0.003 0.000 0.300 713 F C 2.394 178.048 175.800 -0.244 0.000 1.090 713 F CA 1.709 59.618 58.000 -0.151 0.000 1.293 713 F CB -0.355 38.474 39.000 -0.285 0.000 1.013 713 F HN -0.139 nan 8.300 nan 0.000 0.486 714 R N -1.742 118.650 120.500 -0.180 0.000 2.200 714 R HA 0.005 4.347 4.340 0.004 0.000 0.208 714 R C 1.511 177.701 176.300 -0.183 0.000 1.033 714 R CA 1.253 57.228 56.100 -0.208 0.000 1.000 714 R CB -0.325 29.849 30.300 -0.209 0.000 0.906 714 R HN 0.487 nan 8.270 nan 0.000 0.462 715 H N -0.665 118.120 119.070 -0.476 0.000 2.729 715 H HA 0.300 4.859 4.556 0.004 0.000 0.263 715 H C 0.253 175.243 175.328 -0.563 0.000 0.961 715 H CA -0.347 55.311 56.048 -0.650 0.000 1.217 715 H CB 0.667 29.656 29.762 -1.289 0.000 1.447 715 H HN 0.057 nan 8.280 nan 0.000 0.496 716 A N 2.743 125.141 122.820 -0.703 0.000 2.476 716 A HA 0.037 4.359 4.320 0.004 0.000 0.275 716 A C 0.148 177.487 177.584 -0.407 0.000 1.133 716 A CA -0.208 51.273 52.037 -0.926 0.000 0.797 716 A CB -0.030 17.880 19.000 -1.816 0.000 1.081 716 A HN 0.136 nan 8.150 nan 0.000 0.510 717 K N 1.703 122.033 120.400 -0.118 0.000 2.489 717 K HA 0.212 4.534 4.320 0.004 0.000 0.278 717 K C 1.368 177.968 176.600 0.000 0.000 1.000 717 K CA 1.199 57.474 56.287 -0.019 0.000 1.012 717 K CB 0.352 32.879 32.500 0.044 0.000 0.903 717 K HN 1.546 nan 8.250 nan 0.000 0.485 718 G N 1.844 110.619 108.800 -0.042 0.000 2.184 718 G HA2 -0.303 3.660 3.960 0.004 0.000 0.264 718 G HA3 -0.303 3.660 3.960 0.004 0.000 0.264 718 G C 0.818 175.689 174.900 -0.048 0.000 0.975 718 G CA 0.392 45.474 45.100 -0.030 0.000 0.642 718 G HN 0.527 nan 8.290 nan 0.000 0.536 719 L N 1.559 122.708 121.223 -0.124 0.000 2.013 719 L HA 0.025 4.367 4.340 0.004 0.000 0.212 719 L C 2.955 179.742 176.870 -0.139 0.000 1.073 719 L CA 3.439 58.182 54.840 -0.162 0.000 0.753 719 L CB -0.652 41.155 42.059 -0.420 0.000 0.890 719 L HN 0.717 nan 8.230 nan 0.000 0.432 720 T N -3.419 111.027 114.554 -0.179 0.000 3.122 720 T HA 0.526 4.878 4.350 0.004 0.000 0.250 720 T C 0.667 175.358 174.700 -0.015 0.000 1.067 720 T CA 0.124 62.177 62.100 -0.078 0.000 0.966 720 T CB -0.304 68.511 68.868 -0.088 0.000 1.002 720 T HN 0.321 nan 8.240 nan 0.000 0.542 721 A N 2.199 125.010 122.820 -0.015 0.000 2.274 721 A HA 0.562 4.884 4.320 0.004 0.000 0.297 721 A C 0.843 178.446 177.584 0.032 0.000 1.191 721 A CA -0.237 51.806 52.037 0.010 0.000 0.889 721 A CB 0.480 19.482 19.000 0.003 0.000 1.294 721 A HN 0.419 nan 8.150 nan 0.000 0.506 722 D N -0.612 119.813 120.400 0.041 0.000 2.395 722 D HA 0.248 4.890 4.640 0.004 0.000 0.226 722 D C 0.563 176.899 176.300 0.061 0.000 1.146 722 D CA 0.356 54.391 54.000 0.057 0.000 0.830 722 D CB -0.557 40.281 40.800 0.063 0.000 0.958 722 D HN 0.540 nan 8.370 nan 0.000 0.501 723 G N 1.069 109.898 108.800 0.049 0.000 2.504 723 G HA2 0.459 4.422 3.960 0.004 0.000 0.288 723 G HA3 0.459 4.422 3.960 0.004 0.000 0.288 723 G C -2.425 172.507 174.900 0.053 0.000 1.182 723 G CA -1.232 43.896 45.100 0.046 0.000 0.894 723 G HN 0.039 nan 8.290 nan 0.000 0.521 724 P HA 0.190 nan 4.420 nan 0.000 0.274 724 P C -0.135 177.186 177.300 0.034 0.000 1.237 724 P CA -0.382 62.753 63.100 0.058 0.000 0.793 724 P CB 1.191 32.926 31.700 0.059 0.000 0.977 725 I N 1.946 122.548 120.570 0.054 0.000 2.556 725 I HA 0.102 4.274 4.170 0.004 0.000 0.284 725 I C 1.277 177.392 176.117 -0.004 0.000 1.114 725 I CA 0.439 61.770 61.300 0.051 0.000 1.418 725 I CB -0.157 37.906 38.000 0.105 0.000 1.394 725 I HN 0.431 nan 8.210 nan 0.000 0.552 726 Q N 4.203 123.937 119.800 -0.110 0.000 2.934 726 Q HA 0.342 4.684 4.340 0.004 0.000 0.219 726 Q C 0.577 176.319 176.000 -0.429 0.000 1.024 726 Q CA -0.711 54.931 55.803 -0.267 0.000 0.928 726 Q CB 1.245 29.776 28.738 -0.344 0.000 1.594 726 Q HN 0.473 nan 8.270 nan 0.000 0.485 727 E N -0.021 119.700 120.200 -0.799 0.000 2.127 727 E HA -0.021 4.331 4.350 0.004 0.000 0.191 727 E C -0.173 175.605 176.600 -1.370 0.000 0.964 727 E CA 0.646 56.306 56.400 -1.233 0.000 0.832 727 E CB 0.348 29.050 29.700 -1.663 0.000 0.790 727 E HN 0.472 nan 8.360 nan 0.000 0.465 728 N N -1.253 116.618 118.700 -1.383 0.000 3.204 728 N HA 0.274 5.016 4.740 0.004 0.000 0.285 728 N C -1.586 173.289 175.510 -1.059 0.000 1.536 728 N CA -0.743 51.517 53.050 -1.317 0.000 0.832 728 N CB 0.599 37.983 38.487 -1.838 0.000 1.645 728 N HN -0.144 nan 8.380 nan 0.000 0.586 729 Y N -1.438 118.627 120.300 -0.393 0.000 2.524 729 Y HA 0.444 4.996 4.550 0.004 0.000 0.347 729 Y C -0.173 175.657 175.900 -0.116 0.000 1.005 729 Y CA -1.090 56.883 58.100 -0.211 0.000 1.025 729 Y CB 1.664 40.041 38.460 -0.138 0.000 1.275 729 Y HN 0.574 nan 8.280 nan 0.000 0.460 730 N N 4.455 123.214 118.700 0.098 0.000 2.475 730 N HA 0.083 4.825 4.740 0.004 0.000 0.267 730 N C -1.886 173.737 175.510 0.188 0.000 1.169 730 N CA -1.549 51.558 53.050 0.094 0.000 0.947 730 N CB 1.445 39.964 38.487 0.053 0.000 1.061 730 N HN 0.378 nan 8.380 nan 0.000 0.466 731 P HA -0.052 nan 4.420 nan 0.000 0.229 731 P C 1.132 178.616 177.300 0.306 0.000 1.160 731 P CA 0.898 64.178 63.100 0.301 0.000 0.777 731 P CB 0.506 32.434 31.700 0.379 0.000 0.814 732 L N -0.648 120.710 121.223 0.224 0.000 2.408 732 L HA 0.088 4.430 4.340 0.004 0.000 0.215 732 L C 2.384 179.193 176.870 -0.103 0.000 1.081 732 L CA 1.680 56.588 54.840 0.114 0.000 0.840 732 L CB -0.819 41.289 42.059 0.082 0.000 1.002 732 L HN 0.079 nan 8.230 nan 0.000 0.468 733 T N -5.169 109.367 114.554 -0.029 0.000 2.955 733 T HA 0.268 4.620 4.350 0.004 0.000 0.251 733 T C 1.466 176.223 174.700 0.096 0.000 1.002 733 T CA 0.624 62.626 62.100 -0.165 0.000 0.970 733 T CB 0.995 69.802 68.868 -0.103 0.000 1.091 733 T HN 0.315 nan 8.240 nan 0.000 0.495 734 G N 1.772 110.718 108.800 0.244 0.000 2.179 734 G HA2 -0.046 3.916 3.960 0.004 0.000 0.260 734 G HA3 -0.046 3.916 3.960 0.004 0.000 0.260 734 G C 0.358 175.368 174.900 0.184 0.000 0.977 734 G CA 0.002 45.239 45.100 0.229 0.000 0.641 734 G HN 1.279 nan 8.290 nan 0.000 0.533 735 A N 0.126 123.008 122.820 0.104 0.000 2.477 735 A HA 0.572 4.894 4.320 0.004 0.000 0.246 735 A C 0.682 178.259 177.584 -0.011 0.000 1.078 735 A CA 0.449 52.510 52.037 0.040 0.000 0.770 735 A CB 0.262 19.258 19.000 -0.006 0.000 1.011 735 A HN 0.566 nan 8.150 nan 0.000 0.494 736 Q N 0.814 120.565 119.800 -0.081 0.000 2.260 736 Q HA 0.470 4.812 4.340 0.004 0.000 0.242 736 Q C -0.567 175.274 176.000 -0.264 0.000 0.932 736 Q CA -0.053 55.584 55.803 -0.276 0.000 0.891 736 Q CB 1.109 29.685 28.738 -0.271 0.000 1.222 736 Q HN 0.806 nan 8.270 nan 0.000 0.453 737 Q N -0.568 118.991 119.800 -0.402 0.000 2.482 737 Q HA 0.621 4.963 4.340 0.004 0.000 0.286 737 Q C -0.940 174.797 176.000 -0.438 0.000 1.007 737 Q CA -0.508 55.108 55.803 -0.312 0.000 0.801 737 Q CB 2.611 31.200 28.738 -0.248 0.000 1.455 737 Q HN 0.897 nan 8.270 nan 0.000 0.398 738 G N 0.169 108.825 108.800 -0.241 0.000 2.479 738 G HA2 0.241 4.203 3.960 0.004 0.000 0.686 738 G HA3 0.241 4.203 3.960 0.004 0.000 0.686 738 G C -1.084 173.657 174.900 -0.266 0.000 1.295 738 G CA -0.560 44.361 45.100 -0.298 0.000 0.922 738 G HN 0.773 nan 8.290 nan 0.000 0.582 739 A N 1.687 124.282 122.820 -0.374 0.000 2.511 739 A HA 0.653 4.975 4.320 0.004 0.000 0.242 739 A C -1.184 176.208 177.584 -0.321 0.000 1.069 739 A CA -0.018 51.637 52.037 -0.637 0.000 0.763 739 A CB -0.087 18.562 19.000 -0.584 0.000 1.001 739 A HN 0.778 nan 8.150 nan 0.000 0.498 740 P HA 0.151 nan 4.420 nan 0.000 0.275 740 P C -0.526 176.771 177.300 -0.005 0.000 1.228 740 P CA -0.139 62.913 63.100 -0.080 0.000 0.786 740 P CB 0.242 31.922 31.700 -0.033 0.000 0.927 741 N N -1.470 117.257 118.700 0.045 0.000 2.758 741 N HA -0.236 4.506 4.740 0.004 0.000 0.248 741 N C -0.724 174.841 175.510 0.091 0.000 1.076 741 N CA 0.106 53.200 53.050 0.074 0.000 0.696 741 N CB -2.130 36.401 38.487 0.074 0.000 0.979 741 N HN 0.384 nan 8.380 nan 0.000 0.550 742 F N 1.108 121.000 119.950 -0.095 0.000 2.502 742 F HA 0.252 4.781 4.527 0.003 0.000 0.371 742 F C 1.590 177.340 175.800 -0.084 0.000 1.083 742 F CA -0.147 57.763 58.000 -0.149 0.000 1.174 742 F CB 0.677 39.525 39.000 -0.253 0.000 1.096 742 F HN 0.056 nan 8.300 nan 0.000 0.545 743 S N 5.188 120.591 115.700 -0.496 0.000 2.353 743 S HA -0.260 4.212 4.470 0.004 0.000 0.222 743 S C 1.682 176.134 174.600 -0.247 0.000 1.035 743 S CA 1.939 59.941 58.200 -0.329 0.000 1.025 743 S CB -0.660 62.368 63.200 -0.285 0.000 0.902 743 S HN 0.923 nan 8.310 nan 0.000 0.440 744 W N 2.386 123.274 121.300 -0.685 0.000 2.465 744 W HA 0.138 4.800 4.660 0.003 0.000 0.268 744 W C 1.821 178.355 176.519 0.025 0.000 1.242 744 W CA 0.493 57.663 57.345 -0.292 0.000 1.248 744 W CB -1.148 28.151 29.460 -0.268 0.000 1.118 744 W HN 0.104 nan 8.180 nan 0.000 0.587 745 S N 1.053 116.943 115.700 0.317 0.000 2.371 745 S HA -0.040 4.432 4.470 0.004 0.000 0.224 745 S C 2.245 177.032 174.600 0.311 0.000 1.029 745 S CA 1.762 60.225 58.200 0.437 0.000 0.978 745 S CB -0.883 62.532 63.200 0.359 0.000 0.833 745 S HN 0.431 nan 8.310 nan 0.000 0.466 746 A N 1.635 124.569 122.820 0.190 0.000 1.908 746 A HA 0.036 4.358 4.320 0.004 0.000 0.218 746 A C 2.334 180.016 177.584 0.164 0.000 1.181 746 A CA 1.815 53.949 52.037 0.161 0.000 0.627 746 A CB -1.102 17.954 19.000 0.094 0.000 0.818 746 A HN 0.515 nan 8.150 nan 0.000 0.445 747 A N -1.254 121.629 122.820 0.105 0.000 1.877 747 A HA -0.204 4.118 4.320 0.004 0.000 0.216 747 A C 2.061 179.593 177.584 -0.087 0.000 1.186 747 A CA 1.609 53.652 52.037 0.010 0.000 0.620 747 A CB -0.889 18.042 19.000 -0.115 0.000 0.822 747 A HN 0.673 nan 8.150 nan 0.000 0.443 748 H N -0.791 118.304 119.070 0.042 0.000 2.502 748 H HA 0.120 4.678 4.556 0.003 0.000 0.283 748 H C 1.983 177.305 175.328 -0.010 0.000 1.015 748 H CA 1.021 56.997 56.048 -0.119 0.000 1.298 748 H CB -0.045 29.673 29.762 -0.074 0.000 1.411 748 H HN 0.394 nan 8.280 nan 0.000 0.556 749 L N 0.009 121.376 121.223 0.239 0.000 2.109 749 L HA -0.130 4.212 4.340 0.004 0.000 0.207 749 L C 1.488 178.512 176.870 0.255 0.000 1.086 749 L CA 0.485 55.500 54.840 0.291 0.000 0.760 749 L CB -0.353 41.927 42.059 0.369 0.000 0.910 749 L HN 0.169 nan 8.230 nan 0.000 0.437 753 Y N 1.659 121.741 120.300 -0.363 0.000 2.128 753 Y HA -0.212 4.340 4.550 0.004 0.000 0.284 753 Y C 2.031 177.840 175.900 -0.152 0.000 1.154 753 Y CA 2.626 60.709 58.100 -0.029 0.000 1.149 753 Y CB -0.321 38.172 38.460 0.055 0.000 0.976 753 Y HN 0.242 nan 8.280 nan 0.000 0.505 754 N N -0.682 117.669 118.700 -0.581 0.000 2.250 754 N HA -0.155 4.587 4.740 0.004 0.000 0.181 754 N C 0.840 176.075 175.510 -0.458 0.000 1.017 754 N CA 1.299 53.959 53.050 -0.650 0.000 0.866 754 N CB 0.015 38.199 38.487 -0.505 0.000 0.985 754 N HN 0.449 nan 8.380 nan 0.000 0.429 755 D N -0.807 119.355 120.400 -0.396 0.000 2.262 755 D HA 0.015 4.657 4.640 0.004 0.000 0.212 755 D C 0.687 176.431 176.300 -0.927 0.000 0.964 755 D CA 0.853 54.469 54.000 -0.641 0.000 0.875 755 D CB 0.044 40.431 40.800 -0.688 0.000 0.996 755 D HN 0.298 nan 8.370 nan 0.000 0.497 756 F N -0.939 118.936 119.950 -0.125 0.000 2.831 756 F HA 0.228 4.757 4.527 0.003 0.000 0.334 756 F C 0.271 176.095 175.800 0.041 0.000 1.071 756 F CA -0.598 57.359 58.000 -0.072 0.000 1.172 756 F CB 0.358 39.314 39.000 -0.074 0.000 1.054 756 F HN -0.285 nan 8.300 nan 0.000 0.572 757 F N 3.799 123.799 119.950 0.084 0.000 2.399 757 F HA 0.564 5.093 4.527 0.004 0.000 0.342 757 F C 0.649 176.380 175.800 -0.115 0.000 1.106 757 F CA -1.175 56.809 58.000 -0.026 0.000 1.196 757 F CB 0.453 39.416 39.000 -0.061 0.000 1.163 757 F HN -0.032 nan 8.300 nan 0.000 0.547 758 R N 1.443 121.983 120.500 0.066 0.000 2.728 758 R HA 0.291 4.633 4.340 0.004 0.000 0.274 758 R C -1.111 175.156 176.300 -0.055 0.000 1.032 758 R CA -1.093 54.998 56.100 -0.014 0.000 0.866 758 R CB 1.531 31.834 30.300 0.005 0.000 1.263 758 R HN 0.595 nan 8.270 nan 0.000 0.475 759 K N 0.000 120.375 120.400 -0.042 0.000 2.780 759 K HA 0.000 4.322 4.320 0.004 0.000 0.191 759 K CA 0.000 56.267 56.287 -0.034 0.000 0.838 759 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 759 K HN 0.000 nan 8.250 nan 0.000 0.543