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 2egy_1_C DATA FIRST_RESID 2 DATA SEQUENCE KPLSWSEAFG KGAGRIQAST IRELLKLTQR PGILSFAGGL PAPELFPKEE DATA SEQUENCE AAEAAARILR EKGEVALQYS PTEGYAPLRA FVAEWIGVRP EEVLITTGSQ DATA SEQUENCE QALDLVGKVF LDEGSPVLLE APSYMGAIQA FRLQGPRFLT VPAGEEGPDL DATA SEQUENCE DALEEVLKRE RPRFLYLIPS FQNPTGGLTP LPARKRLLQM VMERGLVVVE DATA SEQUENCE DDAYRELYFG EARLPSLFEL AREAGYPGVI YLGSFSKVLS PGLRVAFAVA DATA SEQUENCE HPEALQKLVQ AKQGADLHTP MLNQMLVHEL LKEGFSERLE RVRRVYREKA DATA SEQUENCE QAMLHALDRE VPKEVRYTRP KGGMFVWMEL PKGLSAEGLF RRALEENVAF DATA SEQUENCE VPGGPFFANG GGENTLRLSY ATLDREGIAE GVRRLGRALK GLLALV 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.551 176.600 -0.082 0.000 0.988 2 K CA 0.000 56.249 56.287 -0.063 0.000 0.838 2 K CB 0.000 32.471 32.500 -0.048 0.000 1.064 3 P HA 0.056 nan 4.420 nan 0.000 0.267 3 P C -0.712 176.499 177.300 -0.149 0.000 1.200 3 P CA -0.170 62.871 63.100 -0.099 0.000 0.772 3 P CB 0.523 32.176 31.700 -0.078 0.000 0.855 4 L N 1.564 122.668 121.223 -0.199 0.000 2.326 4 L HA 0.340 4.681 4.340 0.002 0.000 0.278 4 L C -0.164 176.483 176.870 -0.372 0.000 1.092 4 L CA 0.034 54.676 54.840 -0.331 0.000 0.810 4 L CB 1.375 43.173 42.059 -0.435 0.000 1.153 4 L HN 0.625 nan 8.230 nan 0.000 0.439 5 S N 3.624 119.070 115.700 -0.423 0.000 2.594 5 S HA 0.324 4.795 4.470 0.002 0.000 0.296 5 S C 0.160 174.474 174.600 -0.478 0.000 1.124 5 S CA -0.668 57.327 58.200 -0.343 0.000 1.011 5 S CB 0.904 63.987 63.200 -0.195 0.000 1.016 5 S HN 0.701 nan 8.310 nan 0.000 0.485 6 W N 2.654 123.772 121.300 -0.302 0.000 2.444 6 W HA -0.045 4.616 4.660 0.000 0.000 0.308 6 W C 2.757 178.662 176.519 -1.023 0.000 1.183 6 W CA 1.103 58.048 57.345 -0.666 0.000 1.340 6 W CB -0.508 28.657 29.460 -0.491 0.000 1.138 6 W HN 0.860 nan 8.180 nan 0.000 0.510 7 S N 0.016 115.562 115.700 -0.257 0.000 2.420 7 S HA -0.210 4.261 4.470 0.002 0.000 0.237 7 S C 1.273 175.815 174.600 -0.095 0.000 1.023 7 S CA 1.479 59.628 58.200 -0.085 0.000 0.991 7 S CB -0.426 62.813 63.200 0.065 0.000 0.792 7 S HN 0.228 nan 8.310 nan 0.000 0.488 8 E N 0.821 120.928 120.200 -0.155 0.000 2.474 8 E HA 0.384 4.735 4.350 0.002 0.000 0.195 8 E C 1.638 178.161 176.600 -0.129 0.000 1.039 8 E CA 0.644 56.983 56.400 -0.102 0.000 0.881 8 E CB 0.149 29.793 29.700 -0.093 0.000 0.970 8 E HN 0.682 nan 8.360 nan 0.000 0.486 9 A N 0.200 122.873 122.820 -0.244 0.000 2.085 9 A HA 0.185 4.506 4.320 0.002 0.000 0.208 9 A C 0.715 178.313 177.584 0.024 0.000 1.191 9 A CA -0.068 51.862 52.037 -0.177 0.000 0.799 9 A CB 0.017 18.833 19.000 -0.306 0.000 0.877 9 A HN -0.013 nan 8.150 nan 0.000 0.473 10 F N 0.104 120.136 119.950 0.137 0.000 2.408 10 F HA 0.507 5.035 4.527 0.002 0.000 0.303 10 F C 1.384 177.224 175.800 0.067 0.000 1.268 10 F CA -0.510 57.559 58.000 0.114 0.000 1.218 10 F CB -0.316 38.748 39.000 0.107 0.000 1.283 10 F HN 0.127 nan 8.300 nan 0.000 0.545 11 G N -0.261 108.708 108.800 0.281 0.000 2.887 11 G HA2 0.349 4.310 3.960 0.002 0.000 0.277 11 G HA3 0.349 4.310 3.960 0.002 0.000 0.277 11 G C 0.283 175.251 174.900 0.114 0.000 1.346 11 G CA -0.718 44.471 45.100 0.148 0.000 1.058 11 G HN 0.496 nan 8.290 nan 0.000 0.535 12 K N -0.497 119.945 120.400 0.070 0.000 2.209 12 K HA -0.053 4.268 4.320 0.002 0.000 0.204 12 K C 2.406 179.028 176.600 0.036 0.000 1.048 12 K CA 1.076 57.393 56.287 0.050 0.000 0.940 12 K CB -0.093 32.425 32.500 0.031 0.000 0.729 12 K HN 0.447 nan 8.250 nan 0.000 0.451 13 G N 1.237 110.054 108.800 0.028 0.000 2.471 13 G HA2 -0.201 3.760 3.960 0.002 0.000 0.219 13 G HA3 -0.201 3.760 3.960 0.002 0.000 0.219 13 G C 1.573 176.460 174.900 -0.022 0.000 1.125 13 G CA 0.762 45.864 45.100 0.004 0.000 0.775 13 G HN 0.326 nan 8.290 nan 0.000 0.548 14 A N 0.997 123.806 122.820 -0.018 0.000 1.898 14 A HA 0.176 4.497 4.320 0.002 0.000 0.216 14 A C 2.658 180.217 177.584 -0.041 0.000 1.181 14 A CA 1.889 53.869 52.037 -0.096 0.000 0.620 14 A CB -0.944 18.010 19.000 -0.077 0.000 0.819 14 A HN 0.484 nan 8.150 nan 0.000 0.442 15 G N -0.898 107.915 108.800 0.021 0.000 2.559 15 G HA2 -0.138 3.823 3.960 0.002 0.000 0.216 15 G HA3 -0.138 3.823 3.960 0.002 0.000 0.216 15 G C 1.580 176.486 174.900 0.011 0.000 1.126 15 G CA 0.628 45.744 45.100 0.027 0.000 0.778 15 G HN 0.588 nan 8.290 nan 0.000 0.543 16 R N -0.227 120.273 120.500 0.000 0.000 2.280 16 R HA 0.234 4.575 4.340 0.002 0.000 0.195 16 R C 1.026 177.323 176.300 -0.005 0.000 0.935 16 R CA -0.061 56.043 56.100 0.006 0.000 1.033 16 R CB -0.007 30.297 30.300 0.007 0.000 0.964 16 R HN 0.551 nan 8.270 nan 0.000 0.489 17 I N -0.497 120.052 120.570 -0.034 0.000 2.440 17 I HA 0.150 4.321 4.170 0.002 0.000 0.294 17 I C 0.391 176.476 176.117 -0.052 0.000 0.995 17 I CA -0.376 60.891 61.300 -0.054 0.000 1.306 17 I CB 1.475 39.420 38.000 -0.092 0.000 1.407 17 I HN 0.083 nan 8.210 nan 0.000 0.501 18 Q N 4.055 123.821 119.800 -0.056 0.000 1.784 18 Q HA 0.313 4.654 4.340 0.002 0.000 0.191 18 Q C 0.457 176.419 176.000 -0.064 0.000 0.694 18 Q CA -0.108 55.665 55.803 -0.051 0.000 0.794 18 Q CB 0.042 28.761 28.738 -0.031 0.000 1.209 18 Q HN 0.880 nan 8.270 nan 0.000 0.406 19 A N 1.219 123.991 122.820 -0.080 0.000 2.359 19 A HA 0.121 4.442 4.320 0.002 0.000 0.302 19 A C 0.829 178.363 177.584 -0.083 0.000 0.866 19 A CA 1.660 53.640 52.037 -0.095 0.000 1.251 19 A CB -0.475 18.467 19.000 -0.098 0.000 0.694 19 A HN 0.810 nan 8.150 nan 0.000 0.325 20 S N 1.425 117.070 115.700 -0.092 0.000 4.238 20 S HA 0.668 5.139 4.470 0.002 0.000 0.167 20 S C 1.327 175.876 174.600 -0.086 0.000 0.921 20 S CA 1.070 59.223 58.200 -0.078 0.000 1.128 20 S CB -0.537 62.621 63.200 -0.070 0.000 1.636 20 S HN 2.184 nan 8.310 nan 0.000 0.753 21 T N 1.351 115.840 114.554 -0.108 0.000 2.800 21 T HA 0.556 4.907 4.350 0.002 0.000 0.266 21 T C 0.516 175.151 174.700 -0.110 0.000 0.939 21 T CA 0.956 62.985 62.100 -0.119 0.000 1.199 21 T CB -0.384 68.393 68.868 -0.152 0.000 0.899 21 T HN 0.873 nan 8.240 nan 0.000 0.555 22 I N 0.690 121.220 120.570 -0.067 0.000 5.451 22 I HA 0.129 4.300 4.170 0.002 0.000 0.324 22 I C 2.150 178.262 176.117 -0.007 0.000 0.941 22 I CA 1.158 62.436 61.300 -0.036 0.000 1.700 22 I CB -0.566 37.400 38.000 -0.057 0.000 2.427 22 I HN 0.385 nan 8.210 nan 0.000 0.804 23 R N 1.253 121.742 120.500 -0.018 0.000 2.090 23 R HA 0.133 4.474 4.340 0.002 0.000 0.219 23 R C 1.708 178.009 176.300 0.003 0.000 1.100 23 R CA 1.635 57.732 56.100 -0.005 0.000 0.991 23 R CB -1.414 28.877 30.300 -0.015 0.000 0.893 23 R HN 0.688 nan 8.270 nan 0.000 0.443 24 E N 1.000 121.196 120.200 -0.006 0.000 2.106 24 E HA -0.114 4.237 4.350 0.002 0.000 0.192 24 E C 1.805 178.423 176.600 0.029 0.000 0.984 24 E CA 1.331 57.734 56.400 0.005 0.000 0.806 24 E CB -0.365 29.329 29.700 -0.010 0.000 0.750 24 E HN 0.355 nan 8.360 nan 0.000 0.458 25 L N 0.347 121.585 121.223 0.026 0.000 1.970 25 L HA -0.126 4.215 4.340 0.002 0.000 0.212 25 L C 2.397 179.319 176.870 0.086 0.000 1.071 25 L CA 1.602 56.487 54.840 0.075 0.000 0.751 25 L CB -1.144 40.950 42.059 0.057 0.000 0.889 25 L HN 0.273 nan 8.230 nan 0.000 0.432 26 L N 0.027 121.287 121.223 0.063 0.000 2.265 26 L HA -0.181 4.160 4.340 0.002 0.000 0.215 26 L C 2.618 179.512 176.870 0.040 0.000 1.117 26 L CA 2.295 57.168 54.840 0.055 0.000 0.782 26 L CB -1.144 40.946 42.059 0.051 0.000 0.914 26 L HN 0.304 nan 8.230 nan 0.000 0.441 27 K N -0.498 119.923 120.400 0.035 0.000 2.148 27 K HA -0.058 4.263 4.320 0.002 0.000 0.204 27 K C 1.932 178.547 176.600 0.025 0.000 1.050 27 K CA 1.949 58.251 56.287 0.025 0.000 0.942 27 K CB -0.990 31.522 32.500 0.021 0.000 0.724 27 K HN 0.550 nan 8.250 nan 0.000 0.446 28 L N -0.183 121.064 121.223 0.040 0.000 2.130 28 L HA 0.090 4.431 4.340 0.002 0.000 0.200 28 L C 3.369 180.243 176.870 0.006 0.000 1.075 28 L CA 1.451 56.308 54.840 0.028 0.000 0.768 28 L CB -0.609 41.487 42.059 0.061 0.000 0.933 28 L HN 0.485 nan 8.230 nan 0.000 0.451 29 T N -0.369 114.199 114.554 0.023 0.000 2.946 29 T HA -0.238 4.113 4.350 0.002 0.000 0.271 29 T C 1.536 176.234 174.700 -0.003 0.000 1.104 29 T CA 1.483 63.586 62.100 0.004 0.000 1.114 29 T CB -0.516 68.375 68.868 0.038 0.000 0.867 29 T HN 0.484 nan 8.240 nan 0.000 0.513 30 Q N 0.289 120.092 119.800 0.006 0.000 2.225 30 Q HA 0.311 4.652 4.340 0.002 0.000 0.222 30 Q C 0.996 176.993 176.000 -0.006 0.000 0.887 30 Q CA -0.694 55.111 55.803 0.003 0.000 0.958 30 Q CB 0.089 28.834 28.738 0.012 0.000 1.058 30 Q HN 0.428 nan 8.270 nan 0.000 0.459 31 R N 1.777 122.268 120.500 -0.015 0.000 2.954 31 R HA 0.284 4.625 4.340 0.002 0.000 0.276 31 R C -1.342 174.946 176.300 -0.020 0.000 1.218 31 R CA 0.586 56.675 56.100 -0.019 0.000 1.149 31 R CB -0.941 29.341 30.300 -0.030 0.000 1.112 31 R HN -0.017 nan 8.270 nan 0.000 0.577 32 P HA 0.093 nan 4.420 nan 0.000 0.199 32 P C 0.280 177.565 177.300 -0.026 0.000 1.169 32 P CA 1.404 64.492 63.100 -0.020 0.000 0.900 32 P CB -0.603 31.087 31.700 -0.017 0.000 0.733 33 G N -0.404 108.379 108.800 -0.029 0.000 3.058 33 G HA2 0.521 4.482 3.960 0.002 0.000 0.316 33 G HA3 0.521 4.482 3.960 0.002 0.000 0.316 33 G C -0.495 174.378 174.900 -0.045 0.000 0.951 33 G CA 0.119 45.199 45.100 -0.034 0.000 1.535 33 G HN 0.574 nan 8.290 nan 0.000 0.500 34 I N 1.709 122.246 120.570 -0.056 0.000 2.607 34 I HA 0.452 4.623 4.170 0.002 0.000 0.290 34 I C -1.250 174.806 176.117 -0.102 0.000 1.129 34 I CA -1.179 60.076 61.300 -0.075 0.000 1.042 34 I CB 2.090 40.046 38.000 -0.073 0.000 1.242 34 I HN 0.065 nan 8.210 nan 0.000 0.421 35 L N 6.533 127.669 121.223 -0.145 0.000 2.264 35 L HA 0.430 4.771 4.340 0.002 0.000 0.289 35 L C 0.124 176.800 176.870 -0.324 0.000 1.044 35 L CA -0.196 54.496 54.840 -0.247 0.000 0.807 35 L CB 1.542 43.420 42.059 -0.302 0.000 1.192 35 L HN 0.513 nan 8.230 nan 0.000 0.425 36 S N 2.426 117.958 115.700 -0.280 0.000 2.462 36 S HA 0.505 4.977 4.470 0.002 0.000 0.294 36 S C 0.238 174.727 174.600 -0.185 0.000 1.144 36 S CA -0.435 57.663 58.200 -0.170 0.000 1.088 36 S CB 0.473 63.655 63.200 -0.029 0.000 1.009 36 S HN 0.496 nan 8.310 nan 0.000 0.484 37 F N 2.537 122.584 119.950 0.161 0.000 2.682 37 F HA 0.404 4.932 4.527 0.002 0.000 0.308 37 F C 1.244 177.183 175.800 0.233 0.000 1.093 37 F CA -0.481 57.628 58.000 0.182 0.000 1.244 37 F CB 0.446 39.565 39.000 0.198 0.000 1.052 37 F HN 0.633 nan 8.300 nan 0.000 0.573 38 A N 0.390 123.430 122.820 0.367 0.000 2.271 38 A HA 0.686 5.007 4.320 0.002 0.000 0.288 38 A C 0.694 178.452 177.584 0.290 0.000 1.094 38 A CA 0.296 52.537 52.037 0.340 0.000 0.828 38 A CB -0.183 18.983 19.000 0.276 0.000 1.091 38 A HN 0.516 nan 8.150 nan 0.000 0.493 39 G N -1.427 107.554 108.800 0.302 0.000 2.733 39 G HA2 0.389 4.350 3.960 0.002 0.000 0.686 39 G HA3 0.389 4.350 3.960 0.002 0.000 0.686 39 G C 0.251 175.367 174.900 0.360 0.000 1.373 39 G CA -0.038 45.230 45.100 0.279 0.000 0.838 39 G HN 2.041 nan 8.290 nan 0.000 0.588 40 G N -0.250 108.765 108.800 0.358 0.000 5.001 40 G HA2 0.612 4.573 3.960 0.002 0.000 0.304 40 G HA3 0.612 4.573 3.960 0.002 0.000 0.304 40 G C -0.242 174.819 174.900 0.268 0.000 1.400 40 G CA -0.423 44.923 45.100 0.412 0.000 1.029 40 G HN 0.651 nan 8.290 nan 0.000 0.584 41 L N 2.697 124.042 121.223 0.203 0.000 2.276 41 L HA 0.431 4.772 4.340 0.002 0.000 0.286 41 L C -1.634 175.348 176.870 0.187 0.000 1.061 41 L CA -2.175 52.784 54.840 0.198 0.000 0.807 41 L CB 1.316 43.482 42.059 0.179 0.000 1.177 41 L HN 0.137 nan 8.230 nan 0.000 0.429 42 P HA 0.105 nan 4.420 nan 0.000 0.272 42 P C -0.827 176.554 177.300 0.135 0.000 1.230 42 P CA -0.621 62.644 63.100 0.276 0.000 0.788 42 P CB 0.659 32.559 31.700 0.334 0.000 0.949 43 A N 3.610 126.474 122.820 0.073 0.000 2.537 43 A HA 0.135 4.456 4.320 0.002 0.000 0.260 43 A C -1.279 175.994 177.584 -0.518 0.000 1.082 43 A CA -0.592 51.313 52.037 -0.219 0.000 0.765 43 A CB -1.221 17.524 19.000 -0.425 0.000 1.019 43 A HN 0.392 nan 8.150 nan 0.000 0.507 44 P HA -0.239 nan 4.420 nan 0.000 0.214 44 P C 1.423 178.281 177.300 -0.737 0.000 1.163 44 P CA 1.577 64.163 63.100 -0.856 0.000 0.883 44 P CB 0.026 31.593 31.700 -0.221 0.000 0.788 45 E N -0.413 119.570 120.200 -0.363 0.000 2.444 45 E HA -0.200 4.151 4.350 0.002 0.000 0.205 45 E C 1.170 177.641 176.600 -0.215 0.000 1.054 45 E CA 1.176 57.441 56.400 -0.224 0.000 0.873 45 E CB -0.886 28.715 29.700 -0.166 0.000 0.793 45 E HN 0.217 nan 8.360 nan 0.000 0.549 46 L N -0.009 121.012 121.223 -0.336 0.000 2.416 46 L HA 0.169 4.510 4.340 0.002 0.000 0.216 46 L C 0.391 177.262 176.870 0.002 0.000 1.098 46 L CA 0.197 54.939 54.840 -0.164 0.000 0.840 46 L CB -0.593 41.385 42.059 -0.134 0.000 0.981 46 L HN -0.054 nan 8.230 nan 0.000 0.462 47 F N 2.711 122.686 119.950 0.041 0.000 2.590 47 F HA 0.130 4.658 4.527 0.002 0.000 0.389 47 F C -1.252 174.564 175.800 0.028 0.000 1.049 47 F CA -2.820 55.205 58.000 0.042 0.000 1.199 47 F CB -0.838 38.184 39.000 0.038 0.000 1.058 47 F HN 0.061 nan 8.300 nan 0.000 0.556 48 P HA 0.050 nan 4.420 nan 0.000 0.235 48 P C 0.495 177.850 177.300 0.092 0.000 1.765 48 P CA -0.033 63.136 63.100 0.116 0.000 1.034 48 P CB 0.203 31.953 31.700 0.084 0.000 1.984 49 K N 1.220 121.686 120.400 0.111 0.000 1.988 49 K HA -0.238 4.083 4.320 0.002 0.000 0.221 49 K C 1.843 178.465 176.600 0.036 0.000 1.053 49 K CA 1.991 58.323 56.287 0.075 0.000 0.959 49 K CB -0.212 32.338 32.500 0.083 0.000 0.728 49 K HN 0.225 nan 8.250 nan 0.000 0.447 50 E N 0.955 121.173 120.200 0.031 0.000 2.204 50 E HA -0.183 4.168 4.350 0.002 0.000 0.194 50 E C 1.747 178.352 176.600 0.008 0.000 0.989 50 E CA 1.261 57.670 56.400 0.015 0.000 0.824 50 E CB 0.082 29.791 29.700 0.014 0.000 0.756 50 E HN 0.299 nan 8.360 nan 0.000 0.477 51 E N -1.006 119.201 120.200 0.013 0.000 2.158 51 E HA -0.071 4.280 4.350 0.002 0.000 0.191 51 E C 1.707 178.301 176.600 -0.010 0.000 0.982 51 E CA 0.744 57.147 56.400 0.004 0.000 0.823 51 E CB -0.060 29.649 29.700 0.014 0.000 0.766 51 E HN 0.333 nan 8.360 nan 0.000 0.468 52 A N 0.888 123.703 122.820 -0.008 0.000 1.970 52 A HA 0.114 4.435 4.320 0.002 0.000 0.216 52 A C 2.296 179.861 177.584 -0.032 0.000 1.170 52 A CA 1.109 53.130 52.037 -0.027 0.000 0.645 52 A CB -0.370 18.614 19.000 -0.027 0.000 0.816 52 A HN 0.349 nan 8.150 nan 0.000 0.447 53 A N -0.051 122.756 122.820 -0.022 0.000 1.883 53 A HA -0.207 4.114 4.320 0.002 0.000 0.217 53 A C 2.083 179.651 177.584 -0.028 0.000 1.186 53 A CA 1.896 53.919 52.037 -0.024 0.000 0.624 53 A CB -0.481 18.510 19.000 -0.014 0.000 0.822 53 A HN 0.488 nan 8.150 nan 0.000 0.444 54 E N 0.489 120.674 120.200 -0.025 0.000 2.031 54 E HA -0.173 4.178 4.350 0.002 0.000 0.193 54 E C 2.259 178.836 176.600 -0.039 0.000 0.994 54 E CA 1.492 57.875 56.400 -0.028 0.000 0.800 54 E CB -0.509 29.176 29.700 -0.024 0.000 0.752 54 E HN 0.432 nan 8.360 nan 0.000 0.447 55 A N 1.718 124.510 122.820 -0.046 0.000 1.849 55 A HA -0.190 4.132 4.320 0.002 0.000 0.217 55 A C 2.564 180.108 177.584 -0.067 0.000 1.202 55 A CA 3.108 55.107 52.037 -0.063 0.000 0.629 55 A CB -1.312 17.643 19.000 -0.074 0.000 0.834 55 A HN 0.414 nan 8.150 nan 0.000 0.447 56 A N -0.326 122.455 122.820 -0.065 0.000 1.896 56 A HA -0.048 4.273 4.320 0.002 0.000 0.220 56 A C 2.575 180.123 177.584 -0.059 0.000 1.206 56 A CA 3.203 55.200 52.037 -0.067 0.000 0.647 56 A CB -1.329 17.635 19.000 -0.060 0.000 0.828 56 A HN 1.363 nan 8.150 nan 0.000 0.455 57 A N -0.781 122.010 122.820 -0.048 0.000 1.902 57 A HA -0.168 4.153 4.320 0.002 0.000 0.217 57 A C 2.241 179.800 177.584 -0.042 0.000 1.181 57 A CA 2.000 54.012 52.037 -0.041 0.000 0.623 57 A CB -0.489 18.491 19.000 -0.033 0.000 0.818 57 A HN 0.620 nan 8.150 nan 0.000 0.443 58 R N -0.871 119.601 120.500 -0.045 0.000 2.070 58 R HA -0.096 4.245 4.340 0.002 0.000 0.233 58 R C 1.797 178.067 176.300 -0.051 0.000 1.137 58 R CA 1.765 57.838 56.100 -0.044 0.000 0.945 58 R CB -0.449 29.823 30.300 -0.047 0.000 0.845 58 R HN 0.349 nan 8.270 nan 0.000 0.430 59 I N 0.904 121.435 120.570 -0.064 0.000 2.567 59 I HA -0.197 3.974 4.170 0.002 0.000 0.257 59 I C 1.786 177.861 176.117 -0.070 0.000 1.184 59 I CA 1.187 62.442 61.300 -0.075 0.000 1.451 59 I CB -0.067 37.871 38.000 -0.104 0.000 1.089 59 I HN 0.284 nan 8.210 nan 0.000 0.441 60 L N -1.023 120.163 121.223 -0.062 0.000 2.270 60 L HA -0.042 4.299 4.340 0.002 0.000 0.210 60 L C 2.483 179.327 176.870 -0.043 0.000 1.104 60 L CA 0.640 55.447 54.840 -0.055 0.000 0.804 60 L CB -0.287 41.741 42.059 -0.052 0.000 0.937 60 L HN 0.119 nan 8.230 nan 0.000 0.450 61 R N -0.268 120.209 120.500 -0.038 0.000 2.090 61 R HA -0.022 4.319 4.340 0.002 0.000 0.219 61 R C 1.943 178.227 176.300 -0.027 0.000 1.100 61 R CA 0.787 56.869 56.100 -0.030 0.000 0.991 61 R CB 0.008 30.292 30.300 -0.027 0.000 0.893 61 R HN 0.335 nan 8.270 nan 0.000 0.443 62 E N 0.630 120.813 120.200 -0.030 0.000 2.112 62 E HA -0.087 4.264 4.350 0.002 0.000 0.190 62 E C 0.978 177.565 176.600 -0.022 0.000 0.979 62 E CA 0.973 57.358 56.400 -0.024 0.000 0.814 62 E CB 0.300 29.984 29.700 -0.025 0.000 0.762 62 E HN 0.148 nan 8.360 nan 0.000 0.460 63 K N -0.584 119.797 120.400 -0.031 0.000 2.447 63 K HA 0.170 4.491 4.320 0.002 0.000 0.205 63 K C 1.500 178.076 176.600 -0.040 0.000 1.059 63 K CA 0.195 56.465 56.287 -0.029 0.000 1.065 63 K CB 1.224 33.705 32.500 -0.031 0.000 0.885 63 K HN 0.074 nan 8.250 nan 0.000 0.545 64 G N 2.391 111.166 108.800 -0.042 0.000 2.728 64 G HA2 -0.412 3.549 3.960 0.002 0.000 0.224 64 G HA3 -0.412 3.549 3.960 0.002 0.000 0.224 64 G C 1.316 176.191 174.900 -0.041 0.000 1.139 64 G CA 1.710 46.784 45.100 -0.044 0.000 0.761 64 G HN 0.500 nan 8.290 nan 0.000 0.621 65 E N -0.498 119.685 120.200 -0.029 0.000 2.153 65 E HA -0.064 4.287 4.350 0.002 0.000 0.194 65 E C 2.474 179.060 176.600 -0.025 0.000 0.988 65 E CA 1.060 57.446 56.400 -0.024 0.000 0.811 65 E CB -0.154 29.538 29.700 -0.013 0.000 0.746 65 E HN 0.308 nan 8.360 nan 0.000 0.466 66 V N 0.142 120.040 119.914 -0.027 0.000 2.649 66 V HA -0.028 4.093 4.120 0.002 0.000 0.248 66 V C 2.073 178.133 176.094 -0.058 0.000 1.054 66 V CA 1.479 63.762 62.300 -0.027 0.000 1.073 66 V CB 0.122 31.940 31.823 -0.008 0.000 0.699 66 V HN 0.440 nan 8.190 nan 0.000 0.463 67 A N -0.850 121.922 122.820 -0.079 0.000 2.016 67 A HA 0.002 4.323 4.320 0.002 0.000 0.217 67 A C 1.839 179.385 177.584 -0.065 0.000 1.162 67 A CA 1.202 53.177 52.037 -0.103 0.000 0.662 67 A CB -0.253 18.675 19.000 -0.120 0.000 0.812 67 A HN 0.456 nan 8.150 nan 0.000 0.450 68 L N -1.069 120.121 121.223 -0.055 0.000 2.513 68 L HA 0.220 4.561 4.340 0.002 0.000 0.222 68 L C 0.949 177.783 176.870 -0.060 0.000 1.096 68 L CA 0.668 55.475 54.840 -0.054 0.000 0.857 68 L CB -0.496 41.531 42.059 -0.054 0.000 1.026 68 L HN 0.513 nan 8.230 nan 0.000 0.469 69 Q N -1.353 118.421 119.800 -0.043 0.000 2.221 69 Q HA 0.187 4.528 4.340 0.002 0.000 0.242 69 Q C -0.990 175.006 176.000 -0.008 0.000 0.940 69 Q CA -0.459 55.322 55.803 -0.036 0.000 0.896 69 Q CB 0.648 29.384 28.738 -0.004 0.000 1.226 69 Q HN 0.069 nan 8.270 nan 0.000 0.463 70 Y N 1.250 121.545 120.300 -0.008 0.000 2.895 70 Y HA 0.017 4.568 4.550 0.002 0.000 0.334 70 Y C 0.109 175.795 175.900 -0.356 0.000 1.261 70 Y CA 0.969 59.022 58.100 -0.078 0.000 1.560 70 Y CB 0.351 38.806 38.460 -0.008 0.000 1.253 70 Y HN 0.490 nan 8.280 nan 0.000 0.582 71 S N 5.781 120.980 115.700 -0.835 0.000 2.578 71 S HA 0.461 4.932 4.470 0.002 0.000 0.301 71 S C -2.567 171.764 174.600 -0.447 0.000 1.091 71 S CA -1.611 56.234 58.200 -0.591 0.000 1.032 71 S CB 1.548 64.484 63.200 -0.440 0.000 1.064 71 S HN 0.394 nan 8.310 nan 0.000 0.508 72 P HA 0.059 nan 4.420 nan 0.000 0.267 72 P C 0.354 177.670 177.300 0.028 0.000 1.200 72 P CA 0.064 63.140 63.100 -0.041 0.000 0.772 72 P CB 0.222 31.924 31.700 0.003 0.000 0.855 73 T N 1.238 115.827 114.554 0.058 0.000 2.881 73 T HA -0.126 4.225 4.350 0.002 0.000 0.270 73 T C 1.410 176.172 174.700 0.103 0.000 1.068 73 T CA 1.476 63.640 62.100 0.107 0.000 1.131 73 T CB -0.275 68.637 68.868 0.074 0.000 0.871 73 T HN 0.452 nan 8.240 nan 0.000 0.479 74 E N 0.727 120.975 120.200 0.079 0.000 2.077 74 E HA 0.266 4.617 4.350 0.002 0.000 0.193 74 E C 1.292 177.957 176.600 0.108 0.000 0.989 74 E CA 0.956 57.404 56.400 0.081 0.000 0.800 74 E CB -0.377 29.359 29.700 0.060 0.000 0.746 74 E HN 0.616 nan 8.360 nan 0.000 0.452 75 G N -1.097 107.775 108.800 0.120 0.000 2.381 75 G HA2 -0.166 3.795 3.960 0.002 0.000 0.672 75 G HA3 -0.166 3.795 3.960 0.002 0.000 0.672 75 G C -1.483 173.528 174.900 0.186 0.000 1.324 75 G CA -0.594 44.603 45.100 0.162 0.000 0.975 75 G HN 0.078 nan 8.290 nan 0.000 0.593 76 Y N 2.332 122.666 120.300 0.057 0.000 2.784 76 Y HA 0.396 4.947 4.550 0.002 0.000 0.355 76 Y C 1.768 177.690 175.900 0.036 0.000 1.198 76 Y CA 0.741 58.865 58.100 0.041 0.000 1.588 76 Y CB 0.196 38.680 38.460 0.040 0.000 1.220 76 Y HN 1.293 nan 8.280 nan 0.000 0.517 77 A N 8.367 131.151 122.820 -0.061 0.000 1.893 77 A HA -0.272 4.049 4.320 0.002 0.000 0.222 77 A C -0.167 177.254 177.584 -0.271 0.000 1.309 77 A CA 2.243 54.195 52.037 -0.142 0.000 0.681 77 A CB -2.071 16.870 19.000 -0.098 0.000 0.842 77 A HN 0.714 nan 8.150 nan 0.000 0.468 78 P HA -0.131 nan 4.420 nan 0.000 0.219 78 P C 1.596 178.603 177.300 -0.489 0.000 1.146 78 P CA 1.053 63.896 63.100 -0.428 0.000 0.808 78 P CB -0.225 31.238 31.700 -0.395 0.000 0.779 79 L N -0.470 120.461 121.223 -0.487 0.000 2.376 79 L HA -0.009 4.332 4.340 0.002 0.000 0.219 79 L C 2.225 179.062 176.870 -0.055 0.000 1.133 79 L CA 1.344 56.020 54.840 -0.274 0.000 0.816 79 L CB -0.493 41.589 42.059 0.038 0.000 0.933 79 L HN -0.058 nan 8.230 nan 0.000 0.449 80 R N -0.597 119.868 120.500 -0.057 0.000 2.112 80 R HA 0.060 4.401 4.340 0.002 0.000 0.216 80 R C 2.240 178.531 176.300 -0.015 0.000 1.080 80 R CA 0.970 57.070 56.100 0.001 0.000 0.996 80 R CB -0.149 30.156 30.300 0.008 0.000 0.902 80 R HN 0.356 nan 8.270 nan 0.000 0.449 81 A N 0.848 123.640 122.820 -0.046 0.000 1.972 81 A HA -0.176 4.145 4.320 0.002 0.000 0.219 81 A C 1.864 179.436 177.584 -0.021 0.000 1.169 81 A CA 0.957 52.972 52.037 -0.037 0.000 0.635 81 A CB -0.507 18.466 19.000 -0.045 0.000 0.810 81 A HN 0.329 nan 8.150 nan 0.000 0.446 82 F N 0.615 120.456 119.950 -0.183 0.000 2.084 82 F HA -0.135 4.393 4.527 0.002 0.000 0.296 82 F C 2.208 177.988 175.800 -0.033 0.000 1.111 82 F CA 1.990 59.892 58.000 -0.163 0.000 1.224 82 F CB -0.310 38.481 39.000 -0.347 0.000 0.991 82 F HN 0.012 nan 8.300 nan 0.000 0.471 83 V N 0.883 120.865 119.914 0.114 0.000 2.568 83 V HA -0.337 3.784 4.120 0.002 0.000 0.253 83 V C 2.598 178.614 176.094 -0.130 0.000 1.072 83 V CA 1.424 63.714 62.300 -0.017 0.000 1.084 83 V CB -1.732 29.980 31.823 -0.185 0.000 0.676 83 V HN 0.539 nan 8.190 nan 0.000 0.469 84 A N 0.253 123.016 122.820 -0.095 0.000 1.844 84 A HA -0.288 4.033 4.320 0.002 0.000 0.214 84 A C 2.038 179.575 177.584 -0.078 0.000 1.217 84 A CA 2.169 54.158 52.037 -0.081 0.000 0.644 84 A CB -0.848 18.120 19.000 -0.052 0.000 0.850 84 A HN 0.511 nan 8.150 nan 0.000 0.456 85 E N -1.392 118.761 120.200 -0.079 0.000 2.063 85 E HA -0.311 4.040 4.350 0.002 0.000 0.221 85 E C 1.573 178.186 176.600 0.022 0.000 1.052 85 E CA 2.144 58.516 56.400 -0.046 0.000 0.891 85 E CB -0.542 29.111 29.700 -0.078 0.000 0.792 85 E HN 0.754 nan 8.360 nan 0.000 0.482 86 W N 1.012 122.179 121.300 -0.222 0.000 2.275 86 W HA -0.259 4.402 4.660 0.002 0.000 0.321 86 W C 1.682 178.164 176.519 -0.062 0.000 1.269 86 W CA 1.778 59.053 57.345 -0.116 0.000 1.274 86 W CB -0.398 28.981 29.460 -0.134 0.000 1.141 86 W HN 0.113 nan 8.180 nan 0.000 0.493 87 I N -0.249 120.211 120.570 -0.183 0.000 2.703 87 I HA 0.190 4.361 4.170 0.002 0.000 0.259 87 I C 1.946 177.963 176.117 -0.167 0.000 1.151 87 I CA 1.661 62.762 61.300 -0.332 0.000 1.470 87 I CB -1.754 36.018 38.000 -0.380 0.000 1.112 87 I HN 0.246 nan 8.210 nan 0.000 0.437 88 G N 2.042 110.793 108.800 -0.082 0.000 2.270 88 G HA2 -0.095 3.866 3.960 0.002 0.000 0.224 88 G HA3 -0.095 3.866 3.960 0.002 0.000 0.224 88 G C 0.129 175.029 174.900 -0.000 0.000 1.079 88 G CA 0.293 45.375 45.100 -0.031 0.000 0.807 88 G HN 0.429 nan 8.290 nan 0.000 0.492 89 V N -4.368 115.542 119.914 -0.007 0.000 3.084 89 V HA 0.892 5.013 4.120 0.002 0.000 0.311 89 V C 0.278 176.374 176.094 0.004 0.000 1.311 89 V CA -1.862 60.455 62.300 0.028 0.000 1.062 89 V CB 1.326 33.191 31.823 0.071 0.000 1.113 89 V HN 0.374 nan 8.190 nan 0.000 0.468 90 R N 1.196 121.704 120.500 0.014 0.000 2.486 90 R HA 0.469 4.810 4.340 0.002 0.000 0.286 90 R C -1.747 174.554 176.300 0.002 0.000 0.999 90 R CA -1.495 54.607 56.100 0.002 0.000 0.993 90 R CB 1.477 31.778 30.300 0.002 0.000 1.084 90 R HN 0.638 nan 8.270 nan 0.000 0.487 91 P HA -0.225 nan 4.420 nan 0.000 0.217 91 P C -0.058 177.248 177.300 0.011 0.000 1.148 91 P CA 1.601 64.700 63.100 -0.003 0.000 0.828 91 P CB 0.255 31.949 31.700 -0.010 0.000 0.783 92 E N -0.260 119.947 120.200 0.011 0.000 2.427 92 E HA -0.072 4.279 4.350 0.002 0.000 0.196 92 E C 1.670 178.287 176.600 0.029 0.000 1.028 92 E CA 0.327 56.737 56.400 0.017 0.000 0.864 92 E CB -0.222 29.483 29.700 0.008 0.000 0.813 92 E HN 0.387 nan 8.360 nan 0.000 0.514 93 E N 0.652 120.873 120.200 0.034 0.000 2.442 93 E HA 0.027 4.378 4.350 0.002 0.000 0.195 93 E C 0.433 177.072 176.600 0.065 0.000 1.030 93 E CA 0.259 56.692 56.400 0.056 0.000 0.869 93 E CB 0.582 30.326 29.700 0.074 0.000 0.857 93 E HN 0.053 nan 8.360 nan 0.000 0.505 94 V N 1.878 121.826 119.914 0.058 0.000 2.612 94 V HA 0.324 4.445 4.120 0.002 0.000 0.301 94 V C -0.277 175.880 176.094 0.105 0.000 1.046 94 V CA -0.878 61.474 62.300 0.087 0.000 0.946 94 V CB 1.750 33.609 31.823 0.060 0.000 1.003 94 V HN 0.040 nan 8.190 nan 0.000 0.459 95 L N 5.169 126.479 121.223 0.145 0.000 2.439 95 L HA 0.601 4.942 4.340 0.002 0.000 0.270 95 L C -0.817 176.165 176.870 0.187 0.000 0.972 95 L CA -0.182 54.741 54.840 0.137 0.000 0.836 95 L CB 1.480 43.602 42.059 0.106 0.000 1.255 95 L HN 0.407 nan 8.230 nan 0.000 0.404 96 I N 3.914 124.599 120.570 0.190 0.000 2.496 96 I HA 0.339 4.510 4.170 0.002 0.000 0.285 96 I C 0.796 177.017 176.117 0.173 0.000 1.080 96 I CA 0.176 61.613 61.300 0.230 0.000 1.404 96 I CB 0.900 39.035 38.000 0.226 0.000 1.403 96 I HN 0.821 nan 8.210 nan 0.000 0.539 97 T N 1.028 115.681 114.554 0.165 0.000 2.932 97 T HA 0.361 4.712 4.350 0.002 0.000 0.289 97 T C 0.335 175.095 174.700 0.099 0.000 1.039 97 T CA -0.646 61.517 62.100 0.103 0.000 1.024 97 T CB 1.388 70.290 68.868 0.057 0.000 1.090 97 T HN 0.483 nan 8.240 nan 0.000 0.496 98 T N 2.371 116.964 114.554 0.065 0.000 4.309 98 T HA 0.539 4.890 4.350 0.002 0.000 0.242 98 T C 0.704 175.431 174.700 0.045 0.000 1.142 98 T CA 0.539 62.670 62.100 0.051 0.000 1.042 98 T CB -1.315 67.567 68.868 0.023 0.000 1.366 98 T HN 1.372 nan 8.240 nan 0.000 0.942 99 G N 0.557 109.393 108.800 0.061 0.000 2.712 99 G HA2 -0.168 3.793 3.960 0.002 0.000 0.686 99 G HA3 -0.168 3.793 3.960 0.002 0.000 0.686 99 G C 0.667 175.569 174.900 0.003 0.000 1.181 99 G CA -0.531 44.595 45.100 0.042 0.000 0.762 99 G HN 0.219 nan 8.290 nan 0.000 0.641 100 S N 0.042 115.719 115.700 -0.038 0.000 2.469 100 S HA -0.149 4.322 4.470 0.002 0.000 0.238 100 S C 2.189 176.773 174.600 -0.027 0.000 0.998 100 S CA 1.958 60.107 58.200 -0.086 0.000 0.957 100 S CB -0.025 63.077 63.200 -0.163 0.000 0.764 100 S HN 0.822 nan 8.310 nan 0.000 0.514 101 Q N 1.856 121.662 119.800 0.010 0.000 2.167 101 Q HA -0.088 4.253 4.340 0.002 0.000 0.202 101 Q C 2.010 178.002 176.000 -0.014 0.000 0.970 101 Q CA 1.564 57.373 55.803 0.010 0.000 0.855 101 Q CB -0.329 28.418 28.738 0.016 0.000 0.911 101 Q HN 0.687 nan 8.270 nan 0.000 0.438 102 Q N -1.166 118.632 119.800 -0.003 0.000 2.096 102 Q HA -0.053 4.288 4.340 0.002 0.000 0.197 102 Q C 1.870 177.876 176.000 0.010 0.000 0.964 102 Q CA 1.172 56.977 55.803 0.004 0.000 0.838 102 Q CB -0.274 28.473 28.738 0.014 0.000 0.906 102 Q HN 0.443 nan 8.270 nan 0.000 0.444 103 A N 1.052 123.872 122.820 -0.000 0.000 1.908 103 A HA -0.190 4.131 4.320 0.002 0.000 0.218 103 A C 2.047 179.648 177.584 0.028 0.000 1.181 103 A CA 1.359 53.398 52.037 0.002 0.000 0.627 103 A CB -0.810 18.163 19.000 -0.044 0.000 0.818 103 A HN 0.477 nan 8.150 nan 0.000 0.445 104 L N -0.941 120.286 121.223 0.007 0.000 2.083 104 L HA -0.199 4.142 4.340 0.002 0.000 0.209 104 L C 2.342 179.267 176.870 0.091 0.000 1.083 104 L CA 1.737 56.585 54.840 0.012 0.000 0.752 104 L CB -0.500 41.461 42.059 -0.164 0.000 0.899 104 L HN 0.408 nan 8.230 nan 0.000 0.433 105 D N -0.150 120.276 120.400 0.043 0.000 2.149 105 D HA -0.124 4.517 4.640 0.002 0.000 0.201 105 D C 2.289 178.644 176.300 0.093 0.000 0.972 105 D CA 0.919 54.959 54.000 0.066 0.000 0.835 105 D CB 0.137 40.950 40.800 0.022 0.000 0.966 105 D HN 0.174 nan 8.370 nan 0.000 0.476 106 L N -0.548 120.719 121.223 0.073 0.000 2.072 106 L HA -0.078 4.263 4.340 0.002 0.000 0.205 106 L C 2.531 179.454 176.870 0.089 0.000 1.079 106 L CA 0.426 55.301 54.840 0.059 0.000 0.752 106 L CB -0.576 41.507 42.059 0.039 0.000 0.906 106 L HN -0.015 nan 8.230 nan 0.000 0.436 107 V N 0.743 120.743 119.914 0.143 0.000 2.332 107 V HA -0.255 3.866 4.120 0.002 0.000 0.248 107 V C 2.608 178.902 176.094 0.333 0.000 1.055 107 V CA 2.244 64.683 62.300 0.231 0.000 1.038 107 V CB -1.047 30.841 31.823 0.108 0.000 0.651 107 V HN 0.582 nan 8.190 nan 0.000 0.450 108 G N -0.910 108.100 108.800 0.349 0.000 2.402 108 G HA2 -0.218 3.743 3.960 0.002 0.000 0.216 108 G HA3 -0.218 3.743 3.960 0.002 0.000 0.216 108 G C 1.641 176.671 174.900 0.218 0.000 1.162 108 G CA 0.730 46.049 45.100 0.365 0.000 0.777 108 G HN 0.465 nan 8.290 nan 0.000 0.539 109 K N -0.032 120.451 120.400 0.138 0.000 2.063 109 K HA -0.083 4.238 4.320 0.002 0.000 0.208 109 K C 2.536 179.135 176.600 -0.001 0.000 1.048 109 K CA 1.627 57.949 56.287 0.058 0.000 0.928 109 K CB -0.288 32.230 32.500 0.031 0.000 0.713 109 K HN 0.363 nan 8.250 nan 0.000 0.442 110 V N -1.597 118.271 119.914 -0.077 0.000 3.608 110 V HA 0.043 4.164 4.120 0.002 0.000 0.269 110 V C 1.089 176.956 176.094 -0.379 0.000 1.245 110 V CA 0.866 63.010 62.300 -0.261 0.000 1.138 110 V CB -0.312 31.259 31.823 -0.421 0.000 0.841 110 V HN 0.076 nan 8.190 nan 0.000 0.451 111 F N 0.156 120.145 119.950 0.067 0.000 2.592 111 F HA 0.503 5.031 4.527 0.002 0.000 0.280 111 F C 1.140 176.988 175.800 0.080 0.000 1.083 111 F CA -0.280 57.784 58.000 0.107 0.000 1.365 111 F CB 0.211 39.345 39.000 0.223 0.000 1.100 111 F HN 0.016 nan 8.300 nan 0.000 0.633 112 L N -0.085 121.274 121.223 0.228 0.000 2.472 112 L HA 0.457 4.798 4.340 0.002 0.000 0.256 112 L C -0.719 176.168 176.870 0.028 0.000 1.111 112 L CA -0.689 54.196 54.840 0.075 0.000 0.800 112 L CB 0.666 42.729 42.059 0.007 0.000 1.286 112 L HN -0.078 nan 8.230 nan 0.000 0.479 113 D N -1.318 119.071 120.400 -0.018 0.000 2.639 113 D HA 0.088 4.729 4.640 0.002 0.000 0.271 113 D C -1.324 174.946 176.300 -0.050 0.000 1.254 113 D CA -0.588 53.398 54.000 -0.022 0.000 0.810 113 D CB 1.875 42.665 40.800 -0.015 0.000 1.351 113 D HN 0.451 nan 8.370 nan 0.000 0.427 114 E N 0.037 120.213 120.200 -0.041 0.000 2.406 114 E HA 0.289 4.640 4.350 0.002 0.000 0.258 114 E C 0.897 177.461 176.600 -0.061 0.000 1.043 114 E CA 1.006 57.375 56.400 -0.052 0.000 0.929 114 E CB -0.015 29.666 29.700 -0.032 0.000 0.969 114 E HN 0.687 nan 8.360 nan 0.000 0.462 115 G N 3.273 112.021 108.800 -0.088 0.000 2.241 115 G HA2 -0.348 3.613 3.960 0.002 0.000 0.244 115 G HA3 -0.348 3.613 3.960 0.002 0.000 0.244 115 G C 0.282 175.122 174.900 -0.100 0.000 0.998 115 G CA 0.265 45.314 45.100 -0.085 0.000 0.621 115 G HN 0.910 nan 8.290 nan 0.000 0.519 116 S N 2.055 117.690 115.700 -0.107 0.000 2.560 116 S HA 0.519 4.990 4.470 0.002 0.000 0.284 116 S C -1.884 172.614 174.600 -0.171 0.000 1.327 116 S CA -0.136 57.996 58.200 -0.113 0.000 1.055 116 S CB 1.709 64.851 63.200 -0.096 0.000 0.868 116 S HN 0.505 nan 8.310 nan 0.000 0.506 117 P HA 0.390 nan 4.420 nan 0.000 0.296 117 P C -0.816 176.328 177.300 -0.260 0.000 1.306 117 P CA -0.642 62.353 63.100 -0.174 0.000 0.818 117 P CB 1.312 32.947 31.700 -0.108 0.000 0.969 118 V N 2.415 122.154 119.914 -0.291 0.000 2.656 118 V HA 0.563 4.684 4.120 0.002 0.000 0.307 118 V C -0.273 175.724 176.094 -0.161 0.000 1.051 118 V CA -1.162 60.875 62.300 -0.439 0.000 0.893 118 V CB 1.997 33.446 31.823 -0.624 0.000 0.999 118 V HN 0.450 nan 8.190 nan 0.000 0.426 119 L N 6.165 127.290 121.223 -0.163 0.000 2.296 119 L HA 0.873 5.214 4.340 0.002 0.000 0.286 119 L C -0.725 176.199 176.870 0.090 0.000 1.023 119 L CA -0.453 54.386 54.840 -0.002 0.000 0.812 119 L CB 1.230 43.284 42.059 -0.008 0.000 1.223 119 L HN 0.913 nan 8.230 nan 0.000 0.421 120 L N 1.038 122.342 121.223 0.136 0.000 2.479 120 L HA 0.668 5.009 4.340 0.002 0.000 0.255 120 L C -0.885 176.038 176.870 0.087 0.000 1.026 120 L CA -0.990 53.962 54.840 0.186 0.000 0.842 120 L CB 1.896 44.150 42.059 0.325 0.000 1.444 120 L HN 0.519 nan 8.230 nan 0.000 0.409 121 E N 0.578 120.806 120.200 0.047 0.000 2.397 121 E HA 0.593 4.944 4.350 0.002 0.000 0.254 121 E C -0.561 176.013 176.600 -0.044 0.000 1.231 121 E CA -0.338 56.053 56.400 -0.016 0.000 0.954 121 E CB 1.053 30.708 29.700 -0.074 0.000 1.024 121 E HN 0.743 nan 8.360 nan 0.000 0.481 122 A N 2.318 125.110 122.820 -0.047 0.000 2.446 122 A HA 0.401 4.722 4.320 0.002 0.000 0.282 122 A C -2.501 175.031 177.584 -0.088 0.000 1.102 122 A CA -1.384 50.632 52.037 -0.036 0.000 0.737 122 A CB 0.858 19.998 19.000 0.235 0.000 1.212 122 A HN 0.329 nan 8.150 nan 0.000 0.434 123 P HA 0.486 nan 4.420 nan 0.000 0.277 123 P C 0.024 176.999 177.300 -0.542 0.000 1.271 123 P CA -0.053 62.439 63.100 -1.012 0.000 0.795 123 P CB 1.778 32.614 31.700 -1.439 0.000 1.101 124 S N -0.944 114.540 115.700 -0.361 0.000 2.776 124 S HA 0.342 4.813 4.470 0.002 0.000 0.292 124 S C -1.456 173.171 174.600 0.045 0.000 1.187 124 S CA -0.627 57.494 58.200 -0.132 0.000 0.834 124 S CB 0.159 63.359 63.200 0.000 0.000 1.199 124 S HN 0.350 nan 8.310 nan 0.000 0.514 125 Y N 3.442 123.755 120.300 0.021 0.000 2.650 125 Y HA 0.196 4.748 4.550 0.002 0.000 0.331 125 Y C 1.600 177.484 175.900 -0.027 0.000 1.165 125 Y CA 0.459 58.593 58.100 0.056 0.000 1.473 125 Y CB 0.403 38.940 38.460 0.129 0.000 1.224 125 Y HN 0.687 nan 8.280 nan 0.000 0.533 126 M N 3.254 122.616 119.600 -0.396 0.000 2.557 126 M HA 0.145 4.626 4.480 0.002 0.000 0.259 126 M C 1.610 177.453 176.300 -0.762 0.000 1.086 126 M CA 1.454 56.427 55.300 -0.544 0.000 1.096 126 M CB -0.431 31.846 32.600 -0.538 0.000 1.424 126 M HN 0.706 nan 8.290 nan 0.000 0.488 127 G N 0.801 108.715 108.800 -1.476 0.000 2.403 127 G HA2 0.057 4.018 3.960 0.002 0.000 0.216 127 G HA3 0.057 4.018 3.960 0.002 0.000 0.216 127 G C 1.597 176.059 174.900 -0.730 0.000 1.154 127 G CA 0.785 45.220 45.100 -1.108 0.000 0.784 127 G HN 0.602 nan 8.290 nan 0.000 0.538 128 A N 0.403 122.766 122.820 -0.761 0.000 1.970 128 A HA 0.273 4.594 4.320 0.002 0.000 0.216 128 A C 2.294 179.294 177.584 -0.973 0.000 1.170 128 A CA 0.538 51.940 52.037 -1.059 0.000 0.645 128 A CB -0.180 18.070 19.000 -1.251 0.000 0.816 128 A HN 0.344 nan 8.150 nan 0.000 0.447 129 I N -0.637 119.605 120.570 -0.547 0.000 2.315 129 I HA -0.265 3.906 4.170 0.002 0.000 0.248 129 I C 2.719 178.733 176.117 -0.172 0.000 1.117 129 I CA 1.186 62.284 61.300 -0.337 0.000 1.404 129 I CB -0.263 37.522 38.000 -0.357 0.000 1.071 129 I HN 0.443 nan 8.210 nan 0.000 0.419 130 Q N 0.465 120.107 119.800 -0.263 0.000 2.062 130 Q HA -0.098 4.243 4.340 0.002 0.000 0.196 130 Q C 2.521 178.450 176.000 -0.117 0.000 0.967 130 Q CA 1.429 57.137 55.803 -0.160 0.000 0.832 130 Q CB -0.175 28.444 28.738 -0.198 0.000 0.899 130 Q HN 0.530 nan 8.270 nan 0.000 0.442 131 A N 0.860 123.536 122.820 -0.240 0.000 1.873 131 A HA -0.211 4.110 4.320 0.002 0.000 0.218 131 A C 1.749 179.382 177.584 0.082 0.000 1.193 131 A CA 1.574 53.514 52.037 -0.162 0.000 0.629 131 A CB -0.764 18.030 19.000 -0.344 0.000 0.826 131 A HN 0.291 nan 8.150 nan 0.000 0.447 132 F N -0.565 119.433 119.950 0.080 0.000 2.128 132 F HA -0.002 4.526 4.527 0.002 0.000 0.295 132 F C 2.319 178.195 175.800 0.126 0.000 1.100 132 F CA 0.890 58.985 58.000 0.157 0.000 1.260 132 F CB -1.237 37.946 39.000 0.306 0.000 1.009 132 F HN 0.226 nan 8.300 nan 0.000 0.476 133 R N 0.893 121.657 120.500 0.440 0.000 2.174 133 R HA -0.229 4.112 4.340 0.002 0.000 0.253 133 R C 2.311 178.670 176.300 0.099 0.000 1.165 133 R CA 1.384 57.645 56.100 0.268 0.000 0.984 133 R CB -0.722 29.737 30.300 0.266 0.000 0.873 133 R HN 0.384 nan 8.270 nan 0.000 0.456 134 L N 0.606 121.884 121.223 0.091 0.000 2.043 134 L HA -0.246 4.095 4.340 0.002 0.000 0.212 134 L C 1.746 178.634 176.870 0.030 0.000 1.075 134 L CA 1.538 56.405 54.840 0.044 0.000 0.752 134 L CB -0.205 41.878 42.059 0.040 0.000 0.891 134 L HN 0.361 nan 8.230 nan 0.000 0.432 135 Q N 0.196 120.022 119.800 0.042 0.000 2.488 135 Q HA 0.016 4.357 4.340 0.002 0.000 0.211 135 Q C 1.236 177.210 176.000 -0.043 0.000 0.967 135 Q CA 0.852 56.660 55.803 0.008 0.000 0.926 135 Q CB -0.414 28.338 28.738 0.024 0.000 0.992 135 Q HN 0.653 nan 8.270 nan 0.000 0.506 136 G N 2.970 111.730 108.800 -0.067 0.000 2.333 136 G HA2 -0.201 3.760 3.960 0.002 0.000 0.296 136 G HA3 -0.201 3.760 3.960 0.002 0.000 0.296 136 G C -2.379 172.407 174.900 -0.190 0.000 1.059 136 G CA 0.166 45.201 45.100 -0.108 0.000 1.050 136 G HN 0.261 nan 8.290 nan 0.000 0.508 137 P HA 0.424 nan 4.420 nan 0.000 0.284 137 P C -0.341 176.663 177.300 -0.494 0.000 1.292 137 P CA -0.933 61.931 63.100 -0.395 0.000 0.800 137 P CB 1.187 32.603 31.700 -0.472 0.000 1.188 138 R N 0.544 120.827 120.500 -0.361 0.000 2.198 138 R HA 0.374 4.715 4.340 0.002 0.000 0.339 138 R C -0.628 175.547 176.300 -0.209 0.000 1.020 138 R CA -0.551 55.406 56.100 -0.239 0.000 0.864 138 R CB -0.380 29.848 30.300 -0.122 0.000 1.105 138 R HN 0.368 nan 8.270 nan 0.000 0.463 139 F N 5.983 125.920 119.950 -0.022 0.000 2.438 139 F HA 0.183 4.711 4.527 0.001 0.000 0.360 139 F C 0.150 175.948 175.800 -0.003 0.000 1.118 139 F CA -0.524 57.469 58.000 -0.011 0.000 1.164 139 F CB 0.621 39.639 39.000 0.030 0.000 1.131 139 F HN 0.226 nan 8.300 nan 0.000 0.527 140 L N 4.235 125.565 121.223 0.179 0.000 2.282 140 L HA 0.492 4.833 4.340 0.002 0.000 0.288 140 L C 0.223 177.154 176.870 0.102 0.000 1.033 140 L CA -0.574 54.326 54.840 0.100 0.000 0.807 140 L CB 1.554 43.636 42.059 0.039 0.000 1.209 140 L HN 0.565 nan 8.230 nan 0.000 0.423 141 T N 0.198 114.806 114.554 0.089 0.000 2.924 141 T HA 0.709 5.060 4.350 0.002 0.000 0.291 141 T C -0.757 173.978 174.700 0.058 0.000 1.045 141 T CA -0.865 61.281 62.100 0.077 0.000 1.015 141 T CB 2.421 71.345 68.868 0.093 0.000 1.103 141 T HN 0.297 nan 8.240 nan 0.000 0.496 142 V N 2.396 122.339 119.914 0.047 0.000 2.612 142 V HA 0.537 4.658 4.120 0.002 0.000 0.301 142 V C -2.815 173.298 176.094 0.031 0.000 1.059 142 V CA -2.261 60.060 62.300 0.034 0.000 0.886 142 V CB 1.860 33.694 31.823 0.019 0.000 1.007 142 V HN 0.885 nan 8.190 nan 0.000 0.426 143 P HA 0.074 nan 4.420 nan 0.000 0.265 143 P C -0.859 176.444 177.300 0.005 0.000 1.167 143 P CA 0.591 63.719 63.100 0.047 0.000 0.760 143 P CB 0.386 32.118 31.700 0.053 0.000 0.783 144 A N 2.927 125.736 122.820 -0.018 0.000 2.267 144 A HA 0.671 4.992 4.320 0.002 0.000 0.315 144 A C 0.433 177.983 177.584 -0.056 0.000 1.297 144 A CA 0.005 51.997 52.037 -0.076 0.000 0.865 144 A CB 0.629 19.526 19.000 -0.172 0.000 1.165 144 A HN 0.582 nan 8.150 nan 0.000 0.513 145 G N 0.858 109.637 108.800 -0.036 0.000 3.016 145 G HA2 0.489 4.450 3.960 0.002 0.000 0.270 145 G HA3 0.489 4.450 3.960 0.002 0.000 0.270 145 G C 0.551 175.444 174.900 -0.012 0.000 1.352 145 G CA 0.187 45.284 45.100 -0.005 0.000 1.060 145 G HN 0.791 nan 8.290 nan 0.000 0.538 146 E N -0.764 119.443 120.200 0.012 0.000 2.209 146 E HA -0.163 4.188 4.350 0.002 0.000 0.196 146 E C 1.561 178.158 176.600 -0.006 0.000 0.993 146 E CA 2.113 58.522 56.400 0.014 0.000 0.819 146 E CB 0.066 29.781 29.700 0.025 0.000 0.745 146 E HN 0.566 nan 8.360 nan 0.000 0.477 147 E N -0.225 119.965 120.200 -0.017 0.000 2.481 147 E HA 0.235 4.586 4.350 0.002 0.000 0.198 147 E C 0.235 176.805 176.600 -0.050 0.000 1.027 147 E CA 0.239 56.621 56.400 -0.030 0.000 0.900 147 E CB 0.567 30.253 29.700 -0.023 0.000 0.993 147 E HN 0.398 nan 8.360 nan 0.000 0.482 148 G N 1.758 110.525 108.800 -0.056 0.000 2.352 148 G HA2 -0.149 3.812 3.960 0.002 0.000 0.324 148 G HA3 -0.149 3.812 3.960 0.002 0.000 0.324 148 G C -2.827 172.036 174.900 -0.062 0.000 1.249 148 G CA -0.860 44.195 45.100 -0.075 0.000 1.053 148 G HN -0.051 nan 8.290 nan 0.000 0.492 149 P HA 0.210 nan 4.420 nan 0.000 0.269 149 P C -0.773 176.509 177.300 -0.030 0.000 1.209 149 P CA 0.047 63.118 63.100 -0.047 0.000 0.776 149 P CB 0.685 32.357 31.700 -0.047 0.000 0.876 150 D N 2.601 122.991 120.400 -0.017 0.000 2.357 150 D HA 0.015 4.656 4.640 0.002 0.000 0.265 150 D C 1.294 177.587 176.300 -0.011 0.000 1.334 150 D CA 0.091 54.086 54.000 -0.008 0.000 0.984 150 D CB 0.037 40.839 40.800 0.003 0.000 1.077 150 D HN 0.253 nan 8.370 nan 0.000 0.514 151 L N 2.846 124.059 121.223 -0.016 0.000 2.265 151 L HA -0.146 4.195 4.340 0.002 0.000 0.215 151 L C 1.854 178.716 176.870 -0.013 0.000 1.117 151 L CA 0.706 55.536 54.840 -0.017 0.000 0.782 151 L CB -0.057 41.988 42.059 -0.022 0.000 0.914 151 L HN 0.306 nan 8.230 nan 0.000 0.441 152 D N 0.314 120.709 120.400 -0.010 0.000 2.106 152 D HA -0.082 4.559 4.640 0.002 0.000 0.203 152 D C 2.282 178.580 176.300 -0.004 0.000 0.977 152 D CA 1.444 55.440 54.000 -0.008 0.000 0.844 152 D CB -0.080 40.716 40.800 -0.006 0.000 1.002 152 D HN 0.251 nan 8.370 nan 0.000 0.461 153 A N 1.057 123.876 122.820 -0.000 0.000 2.024 153 A HA -0.161 4.160 4.320 0.002 0.000 0.220 153 A C 2.144 179.730 177.584 0.003 0.000 1.164 153 A CA 0.971 53.010 52.037 0.004 0.000 0.643 153 A CB -0.585 18.421 19.000 0.010 0.000 0.806 153 A HN 0.213 nan 8.150 nan 0.000 0.451 154 L N 0.591 121.814 121.223 -0.001 0.000 2.156 154 L HA -0.092 4.249 4.340 0.002 0.000 0.208 154 L C 2.310 179.176 176.870 -0.006 0.000 1.095 154 L CA 2.454 57.293 54.840 -0.002 0.000 0.770 154 L CB -0.547 41.509 42.059 -0.006 0.000 0.914 154 L HN 0.673 nan 8.230 nan 0.000 0.439 155 E N -1.867 118.327 120.200 -0.009 0.000 2.274 155 E HA -0.162 4.189 4.350 0.002 0.000 0.194 155 E C 1.434 178.029 176.600 -0.009 0.000 0.996 155 E CA 0.835 57.228 56.400 -0.012 0.000 0.840 155 E CB -0.236 29.455 29.700 -0.015 0.000 0.772 155 E HN 0.426 nan 8.360 nan 0.000 0.491 156 E N 0.913 121.110 120.200 -0.006 0.000 2.170 156 E HA -0.033 4.318 4.350 0.002 0.000 0.191 156 E C 2.297 178.895 176.600 -0.002 0.000 0.981 156 E CA 0.603 57.001 56.400 -0.004 0.000 0.830 156 E CB -0.033 29.666 29.700 -0.001 0.000 0.775 156 E HN 0.186 nan 8.360 nan 0.000 0.470 157 V N 1.183 121.096 119.914 -0.001 0.000 2.427 157 V HA -0.204 3.917 4.120 0.002 0.000 0.248 157 V C 2.132 178.223 176.094 -0.005 0.000 1.051 157 V CA 1.054 63.354 62.300 0.000 0.000 1.048 157 V CB -0.318 31.508 31.823 0.004 0.000 0.666 157 V HN 0.165 nan 8.190 nan 0.000 0.456 158 L N -0.487 120.732 121.223 -0.007 0.000 2.456 158 L HA -0.071 4.270 4.340 0.002 0.000 0.224 158 L C 2.110 178.974 176.870 -0.010 0.000 1.148 158 L CA 1.629 56.463 54.840 -0.010 0.000 0.825 158 L CB -0.814 41.238 42.059 -0.012 0.000 0.937 158 L HN 0.303 nan 8.230 nan 0.000 0.450 159 K N -1.062 119.332 120.400 -0.009 0.000 2.078 159 K HA 0.050 4.371 4.320 0.002 0.000 0.203 159 K C 2.157 178.752 176.600 -0.007 0.000 1.043 159 K CA 0.619 56.901 56.287 -0.009 0.000 0.960 159 K CB -0.002 32.493 32.500 -0.008 0.000 0.761 159 K HN 0.140 nan 8.250 nan 0.000 0.448 160 R N 0.637 121.133 120.500 -0.006 0.000 2.092 160 R HA -0.028 4.313 4.340 0.002 0.000 0.231 160 R C 0.768 177.063 176.300 -0.008 0.000 1.119 160 R CA 0.910 57.006 56.100 -0.006 0.000 0.970 160 R CB 0.022 30.320 30.300 -0.004 0.000 0.864 160 R HN 0.080 nan 8.270 nan 0.000 0.440 161 E N 0.099 120.294 120.200 -0.010 0.000 2.320 161 E HA 0.310 4.661 4.350 0.002 0.000 0.264 161 E C -1.269 175.322 176.600 -0.016 0.000 0.923 161 E CA -0.954 55.438 56.400 -0.014 0.000 0.796 161 E CB 1.451 31.141 29.700 -0.017 0.000 1.262 161 E HN -0.178 nan 8.360 nan 0.000 0.428 162 R N 2.600 123.087 120.500 -0.021 0.000 2.443 162 R HA 0.446 4.787 4.340 0.002 0.000 0.287 162 R C -2.572 173.707 176.300 -0.035 0.000 1.425 162 R CA -1.931 54.157 56.100 -0.019 0.000 1.300 162 R CB 0.747 31.041 30.300 -0.010 0.000 1.129 162 R HN 0.363 nan 8.270 nan 0.000 0.577 163 P HA 0.075 nan 4.420 nan 0.000 0.266 163 P C 0.047 177.285 177.300 -0.104 0.000 1.195 163 P CA -0.283 62.758 63.100 -0.097 0.000 0.768 163 P CB 0.896 32.540 31.700 -0.093 0.000 0.838 164 R N 2.225 122.613 120.500 -0.188 0.000 2.152 164 R HA 0.037 4.378 4.340 0.002 0.000 0.232 164 R C 0.447 176.719 176.300 -0.046 0.000 1.117 164 R CA 1.283 57.310 56.100 -0.122 0.000 0.981 164 R CB -0.708 29.476 30.300 -0.193 0.000 0.870 164 R HN 0.668 nan 8.270 nan 0.000 0.451 165 F N -5.394 114.461 119.950 -0.159 0.000 2.890 165 F HA 0.351 4.879 4.527 0.002 0.000 0.326 165 F C -2.054 173.686 175.800 -0.099 0.000 1.143 165 F CA -1.856 56.029 58.000 -0.191 0.000 0.906 165 F CB 0.409 39.176 39.000 -0.387 0.000 1.303 165 F HN -0.319 nan 8.300 nan 0.000 0.447 166 L N 3.001 124.411 121.223 0.311 0.000 2.280 166 L HA 0.449 4.790 4.340 0.002 0.000 0.287 166 L C -1.197 175.903 176.870 0.383 0.000 1.023 166 L CA -0.626 54.353 54.840 0.232 0.000 0.819 166 L CB 1.100 43.228 42.059 0.115 0.000 1.212 166 L HN 0.668 nan 8.230 nan 0.000 0.420 167 Y N 5.551 126.037 120.300 0.311 0.000 2.367 167 Y HA 0.683 5.234 4.550 0.002 0.000 0.342 167 Y C -1.211 174.795 175.900 0.176 0.000 0.979 167 Y CA -0.622 57.679 58.100 0.335 0.000 1.161 167 Y CB 0.504 39.318 38.460 0.589 0.000 1.155 167 Y HN 0.450 nan 8.280 nan 0.000 0.503 168 L N 7.368 128.311 121.223 -0.467 0.000 2.388 168 L HA 0.543 4.884 4.340 0.002 0.000 0.264 168 L C -0.925 175.634 176.870 -0.519 0.000 0.998 168 L CA -0.950 53.626 54.840 -0.442 0.000 0.817 168 L CB 2.631 44.581 42.059 -0.181 0.000 1.338 168 L HN 0.509 nan 8.230 nan 0.000 0.414 169 I N 2.318 122.649 120.570 -0.398 0.000 2.621 169 I HA 0.244 4.415 4.170 0.002 0.000 0.276 169 I C -1.898 174.102 176.117 -0.195 0.000 1.118 169 I CA -1.361 59.772 61.300 -0.278 0.000 1.159 169 I CB 1.143 39.017 38.000 -0.211 0.000 1.357 169 I HN 0.370 nan 8.210 nan 0.000 0.513 170 P HA -0.067 nan 4.420 nan 0.000 0.218 170 P C 0.264 177.412 177.300 -0.253 0.000 1.149 170 P CA 1.149 64.146 63.100 -0.171 0.000 0.817 170 P CB 0.273 31.901 31.700 -0.120 0.000 0.785 171 S N 0.298 115.837 115.700 -0.267 0.000 2.512 171 S HA 0.366 4.837 4.470 0.002 0.000 0.291 171 S C -0.699 173.615 174.600 -0.477 0.000 1.151 171 S CA -0.470 57.392 58.200 -0.563 0.000 1.120 171 S CB -0.989 61.995 63.200 -0.360 0.000 1.029 171 S HN 0.060 nan 8.310 nan 0.000 0.485 172 F N 0.257 120.166 119.950 -0.067 0.000 2.860 172 F HA -0.166 4.362 4.527 0.002 0.000 0.355 172 F C 0.677 176.401 175.800 -0.128 0.000 1.024 172 F CA -0.182 57.731 58.000 -0.144 0.000 1.160 172 F CB -2.016 36.825 39.000 -0.265 0.000 1.422 172 F HN 0.557 nan 8.300 nan 0.000 0.766 173 Q N 1.773 121.553 119.800 -0.034 0.000 2.310 173 Q HA -0.072 4.269 4.340 0.002 0.000 0.315 173 Q C 0.445 176.387 176.000 -0.098 0.000 1.081 173 Q CA 0.415 56.173 55.803 -0.077 0.000 0.981 173 Q CB 0.516 29.160 28.738 -0.158 0.000 1.184 173 Q HN 0.454 nan 8.270 nan 0.000 0.389 174 N N 5.026 123.679 118.700 -0.079 0.000 2.434 174 N HA 0.193 4.934 4.740 0.002 0.000 0.272 174 N C -2.074 173.224 175.510 -0.352 0.000 1.040 174 N CA -1.826 51.093 53.050 -0.218 0.000 0.956 174 N CB 1.258 39.748 38.487 0.005 0.000 1.108 174 N HN 0.397 nan 8.380 nan 0.000 0.481 175 P HA 0.062 nan 4.420 nan 0.000 0.264 175 P C 0.932 177.850 177.300 -0.637 0.000 1.259 175 P CA 0.418 62.926 63.100 -0.986 0.000 0.841 175 P CB 0.289 31.066 31.700 -1.538 0.000 1.232 176 T N -3.329 110.802 114.554 -0.705 0.000 2.777 176 T HA 0.078 4.429 4.350 0.002 0.000 0.266 176 T C 1.817 176.496 174.700 -0.036 0.000 1.040 176 T CA 1.760 63.605 62.100 -0.425 0.000 1.141 176 T CB -1.375 67.175 68.868 -0.529 0.000 0.868 176 T HN 0.202 nan 8.240 nan 0.000 0.444 177 G N 0.962 109.735 108.800 -0.045 0.000 2.175 177 G HA2 -0.039 3.922 3.960 0.002 0.000 0.244 177 G HA3 -0.039 3.922 3.960 0.002 0.000 0.244 177 G C 0.500 175.447 174.900 0.078 0.000 0.982 177 G CA 0.102 45.245 45.100 0.073 0.000 0.641 177 G HN 1.038 nan 8.290 nan 0.000 0.527 178 G N -0.576 108.221 108.800 -0.006 0.000 2.690 178 G HA2 0.468 4.429 3.960 0.002 0.000 0.239 178 G HA3 0.468 4.429 3.960 0.002 0.000 0.239 178 G C -0.108 174.750 174.900 -0.069 0.000 1.233 178 G CA 0.294 45.382 45.100 -0.021 0.000 0.847 178 G HN 1.076 nan 8.290 nan 0.000 0.588 179 L N 0.301 121.468 121.223 -0.093 0.000 2.410 179 L HA 0.440 4.781 4.340 0.002 0.000 0.270 179 L C -0.295 176.480 176.870 -0.157 0.000 0.983 179 L CA -0.672 54.040 54.840 -0.212 0.000 0.822 179 L CB 2.232 44.165 42.059 -0.210 0.000 1.285 179 L HN 0.504 nan 8.230 nan 0.000 0.409 180 T N 5.692 120.138 114.554 -0.180 0.000 2.729 180 T HA 0.335 4.686 4.350 0.002 0.000 0.296 180 T C -2.448 172.184 174.700 -0.114 0.000 0.928 180 T CA -0.949 61.077 62.100 -0.124 0.000 1.045 180 T CB 1.064 69.863 68.868 -0.115 0.000 0.902 180 T HN 0.393 nan 8.240 nan 0.000 0.500 181 P HA 0.054 nan 4.420 nan 0.000 0.269 181 P C 1.003 178.266 177.300 -0.061 0.000 1.215 181 P CA -0.603 62.458 63.100 -0.064 0.000 0.780 181 P CB 0.490 32.163 31.700 -0.045 0.000 0.898 182 L N 5.597 126.787 121.223 -0.056 0.000 2.013 182 L HA -0.117 4.224 4.340 0.002 0.000 0.212 182 L C -0.931 175.914 176.870 -0.042 0.000 1.073 182 L CA 2.655 57.465 54.840 -0.050 0.000 0.753 182 L CB -2.468 39.565 42.059 -0.044 0.000 0.890 182 L HN 0.387 nan 8.230 nan 0.000 0.432 183 P HA -0.154 nan 4.420 nan 0.000 0.216 183 P C 1.572 178.851 177.300 -0.035 0.000 1.153 183 P CA 2.157 65.237 63.100 -0.033 0.000 0.858 183 P CB -0.191 31.492 31.700 -0.028 0.000 0.789 184 A N -0.526 122.271 122.820 -0.039 0.000 2.015 184 A HA -0.161 4.160 4.320 0.002 0.000 0.219 184 A C 2.172 179.731 177.584 -0.042 0.000 1.163 184 A CA 1.206 53.219 52.037 -0.040 0.000 0.646 184 A CB -0.799 18.174 19.000 -0.044 0.000 0.806 184 A HN 0.103 nan 8.150 nan 0.000 0.448 185 R N -0.239 120.234 120.500 -0.045 0.000 2.075 185 R HA -0.017 4.324 4.340 0.002 0.000 0.226 185 R C 2.074 178.353 176.300 -0.036 0.000 1.114 185 R CA 1.375 57.450 56.100 -0.041 0.000 0.972 185 R CB -0.279 29.996 30.300 -0.043 0.000 0.869 185 R HN 0.425 nan 8.270 nan 0.000 0.437 186 K N 0.580 120.957 120.400 -0.037 0.000 2.103 186 K HA -0.181 4.140 4.320 0.002 0.000 0.207 186 K C 2.205 178.779 176.600 -0.042 0.000 1.048 186 K CA 1.328 57.592 56.287 -0.039 0.000 0.930 186 K CB -0.112 32.367 32.500 -0.037 0.000 0.716 186 K HN 0.075 nan 8.250 nan 0.000 0.444 187 R N 0.838 121.314 120.500 -0.039 0.000 2.075 187 R HA -0.130 4.212 4.340 0.002 0.000 0.232 187 R C 2.209 178.483 176.300 -0.043 0.000 1.126 187 R CA 1.051 57.127 56.100 -0.039 0.000 0.963 187 R CB -0.183 30.096 30.300 -0.034 0.000 0.858 187 R HN 0.088 nan 8.270 nan 0.000 0.435 188 L N 0.862 122.062 121.223 -0.039 0.000 2.072 188 L HA -0.070 4.271 4.340 0.002 0.000 0.205 188 L C 2.072 178.916 176.870 -0.044 0.000 1.079 188 L CA 1.374 56.192 54.840 -0.036 0.000 0.752 188 L CB -0.723 41.319 42.059 -0.029 0.000 0.906 188 L HN 0.318 nan 8.230 nan 0.000 0.436 189 L N -0.439 120.758 121.223 -0.044 0.000 2.013 189 L HA -0.259 4.082 4.340 0.002 0.000 0.212 189 L C 2.498 179.293 176.870 -0.126 0.000 1.073 189 L CA 2.083 56.888 54.840 -0.058 0.000 0.753 189 L CB -1.069 40.965 42.059 -0.041 0.000 0.890 189 L HN 0.491 nan 8.230 nan 0.000 0.432 190 Q N -0.785 118.950 119.800 -0.109 0.000 2.083 190 Q HA -0.235 4.106 4.340 0.002 0.000 0.198 190 Q C 2.352 178.274 176.000 -0.130 0.000 0.969 190 Q CA 2.090 57.815 55.803 -0.130 0.000 0.838 190 Q CB -0.227 28.458 28.738 -0.089 0.000 0.900 190 Q HN 0.650 nan 8.270 nan 0.000 0.436 191 M N -0.103 119.442 119.600 -0.092 0.000 2.195 191 M HA -0.188 4.293 4.480 0.002 0.000 0.260 191 M C 1.780 178.027 176.300 -0.088 0.000 1.066 191 M CA 1.099 56.354 55.300 -0.074 0.000 1.089 191 M CB 0.137 32.706 32.600 -0.051 0.000 1.377 191 M HN 0.053 nan 8.290 nan 0.000 0.411 192 V N 0.984 120.829 119.914 -0.116 0.000 2.251 192 V HA -0.266 3.855 4.120 0.002 0.000 0.237 192 V C 2.265 178.201 176.094 -0.263 0.000 1.040 192 V CA 1.882 64.107 62.300 -0.125 0.000 1.005 192 V CB -0.633 31.146 31.823 -0.072 0.000 0.645 192 V HN 0.663 nan 8.190 nan 0.000 0.458 193 M N 0.055 119.308 119.600 -0.578 0.000 2.623 193 M HA -0.168 4.313 4.480 0.002 0.000 0.258 193 M C 1.739 177.811 176.300 -0.380 0.000 1.067 193 M CA 2.099 56.843 55.300 -0.926 0.000 1.068 193 M CB -0.683 31.148 32.600 -1.282 0.000 1.409 193 M HN 0.394 nan 8.290 nan 0.000 0.504 194 E N 2.178 122.239 120.200 -0.233 0.000 2.016 194 E HA -0.086 4.265 4.350 0.002 0.000 0.190 194 E C 1.629 178.178 176.600 -0.084 0.000 0.985 194 E CA 1.471 57.794 56.400 -0.128 0.000 0.802 194 E CB 0.035 29.678 29.700 -0.096 0.000 0.762 194 E HN 0.587 nan 8.360 nan 0.000 0.448 195 R N -0.226 120.231 120.500 -0.072 0.000 2.325 195 R HA 0.228 4.569 4.340 0.002 0.000 0.214 195 R C 0.612 176.910 176.300 -0.004 0.000 0.961 195 R CA 0.443 56.525 56.100 -0.031 0.000 1.086 195 R CB -0.027 30.259 30.300 -0.023 0.000 1.037 195 R HN 0.280 nan 8.270 nan 0.000 0.493 196 G N 2.019 110.814 108.800 -0.009 0.000 2.393 196 G HA2 -0.277 3.684 3.960 0.002 0.000 0.299 196 G HA3 -0.277 3.684 3.960 0.002 0.000 0.299 196 G C -0.099 174.889 174.900 0.147 0.000 0.990 196 G CA 0.215 45.375 45.100 0.099 0.000 1.118 196 G HN 0.224 nan 8.290 nan 0.000 0.513 197 L N -0.864 120.448 121.223 0.149 0.000 2.334 197 L HA 0.641 4.982 4.340 0.002 0.000 0.270 197 L C 0.766 177.751 176.870 0.192 0.000 1.018 197 L CA -1.368 53.550 54.840 0.130 0.000 0.811 197 L CB 1.816 43.916 42.059 0.068 0.000 1.271 197 L HN -0.014 nan 8.230 nan 0.000 0.443 198 V N 2.108 122.079 119.914 0.095 0.000 2.567 198 V HA 0.366 4.487 4.120 0.002 0.000 0.289 198 V C -0.107 176.021 176.094 0.057 0.000 1.049 198 V CA -0.499 61.815 62.300 0.024 0.000 0.969 198 V CB 1.932 33.662 31.823 -0.154 0.000 0.995 198 V HN 0.391 nan 8.190 nan 0.000 0.471 199 V N 4.910 124.848 119.914 0.040 0.000 2.483 199 V HA 0.373 4.495 4.120 0.002 0.000 0.297 199 V C -0.341 175.756 176.094 0.004 0.000 1.027 199 V CA -0.615 61.726 62.300 0.070 0.000 0.855 199 V CB 2.057 33.943 31.823 0.105 0.000 0.995 199 V HN 0.585 nan 8.190 nan 0.000 0.424 200 V N 4.375 124.291 119.914 0.003 0.000 2.334 200 V HA 0.318 4.439 4.120 0.002 0.000 0.267 200 V C 0.295 176.410 176.094 0.035 0.000 1.040 200 V CA -0.370 61.913 62.300 -0.027 0.000 0.866 200 V CB 1.111 32.880 31.823 -0.089 0.000 1.019 200 V HN 0.953 nan 8.190 nan 0.000 0.468 201 E N 3.972 124.161 120.200 -0.018 0.000 2.081 201 E HA 0.162 4.513 4.350 0.002 0.000 0.281 201 E C -0.749 175.708 176.600 -0.239 0.000 0.986 201 E CA -0.571 55.774 56.400 -0.092 0.000 0.796 201 E CB 0.784 30.508 29.700 0.039 0.000 1.085 201 E HN 0.644 nan 8.360 nan 0.000 0.398 202 D N 4.410 124.657 120.400 -0.254 0.000 2.380 202 D HA 0.083 4.724 4.640 0.002 0.000 0.230 202 D C -1.076 175.031 176.300 -0.322 0.000 1.154 202 D CA -0.300 53.534 54.000 -0.276 0.000 0.859 202 D CB 0.972 41.680 40.800 -0.154 0.000 1.045 202 D HN 0.375 nan 8.370 nan 0.000 0.495 203 D N 2.588 122.713 120.400 -0.458 0.000 2.863 203 D HA 0.319 4.960 4.640 0.002 0.000 0.323 203 D C 0.822 176.934 176.300 -0.313 0.000 1.286 203 D CA -0.469 53.346 54.000 -0.309 0.000 0.921 203 D CB 0.479 41.123 40.800 -0.259 0.000 1.024 203 D HN 0.337 nan 8.370 nan 0.000 0.505 204 A N 0.646 123.237 122.820 -0.381 0.000 2.119 204 A HA -0.077 4.244 4.320 0.002 0.000 0.216 204 A C 0.669 177.911 177.584 -0.568 0.000 1.152 204 A CA 0.781 52.498 52.037 -0.534 0.000 0.708 204 A CB -0.280 18.276 19.000 -0.740 0.000 0.805 204 A HN 0.439 nan 8.150 nan 0.000 0.460 205 Y N -0.923 119.390 120.300 0.021 0.000 2.681 205 Y HA 0.262 4.813 4.550 0.002 0.000 0.267 205 Y C 1.681 177.711 175.900 0.217 0.000 1.166 205 Y CA -0.406 57.755 58.100 0.101 0.000 1.209 205 Y CB -0.288 38.273 38.460 0.169 0.000 1.161 205 Y HN 0.365 nan 8.280 nan 0.000 0.534 206 R N 1.056 121.704 120.500 0.246 0.000 2.154 206 R HA -0.177 4.164 4.340 0.002 0.000 0.248 206 R C 0.589 177.136 176.300 0.412 0.000 1.155 206 R CA 1.969 58.249 56.100 0.300 0.000 0.979 206 R CB 0.190 30.622 30.300 0.220 0.000 0.869 206 R HN 0.176 nan 8.270 nan 0.000 0.452 207 E N -0.030 120.368 120.200 0.330 0.000 2.501 207 E HA 0.058 4.409 4.350 0.002 0.000 0.200 207 E C -0.260 176.305 176.600 -0.058 0.000 1.016 207 E CA 0.013 56.530 56.400 0.194 0.000 0.921 207 E CB 0.787 30.604 29.700 0.195 0.000 1.034 207 E HN 0.213 nan 8.360 nan 0.000 0.468 208 L N 1.755 122.987 121.223 0.015 0.000 3.073 208 L HA 0.157 4.498 4.340 0.002 0.000 0.242 208 L C -0.431 176.168 176.870 -0.452 0.000 1.317 208 L CA -0.572 54.155 54.840 -0.189 0.000 1.081 208 L CB -0.792 41.140 42.059 -0.212 0.000 1.456 208 L HN 0.012 nan 8.230 nan 0.000 0.525 209 Y N -3.598 116.631 120.300 -0.117 0.000 2.299 209 Y HA 0.463 5.014 4.550 0.002 0.000 0.326 209 Y C 0.648 176.563 175.900 0.025 0.000 1.164 209 Y CA -1.125 56.873 58.100 -0.170 0.000 1.234 209 Y CB 0.268 38.877 38.460 0.248 0.000 1.219 209 Y HN 0.007 nan 8.280 nan 0.000 0.497 210 F N 1.602 121.613 119.950 0.101 0.000 2.619 210 F HA 0.294 4.822 4.527 0.002 0.000 0.293 210 F C 1.640 177.547 175.800 0.179 0.000 1.119 210 F CA -0.358 57.684 58.000 0.070 0.000 1.445 210 F CB -0.827 38.164 39.000 -0.014 0.000 1.119 210 F HN 0.802 nan 8.300 nan 0.000 0.573 211 G N 0.577 109.635 108.800 0.431 0.000 2.525 211 G HA2 0.110 4.071 3.960 0.002 0.000 0.276 211 G HA3 0.110 4.071 3.960 0.002 0.000 0.276 211 G C 0.867 175.949 174.900 0.303 0.000 1.388 211 G CA 0.053 45.326 45.100 0.287 0.000 1.050 211 G HN 0.405 nan 8.290 nan 0.000 0.520 212 E N -1.297 118.997 120.200 0.157 0.000 2.489 212 E HA 0.469 4.820 4.350 0.002 0.000 0.193 212 E C 0.605 177.223 176.600 0.030 0.000 1.057 212 E CA 0.406 56.887 56.400 0.136 0.000 0.866 212 E CB 0.182 29.930 29.700 0.080 0.000 0.916 212 E HN 0.597 nan 8.360 nan 0.000 0.500 213 A N 1.357 124.052 122.820 -0.208 0.000 2.566 213 A HA 0.513 4.834 4.320 0.002 0.000 0.290 213 A C -1.471 175.623 177.584 -0.818 0.000 1.071 213 A CA -1.182 50.531 52.037 -0.540 0.000 0.658 213 A CB 0.932 19.801 19.000 -0.218 0.000 1.285 213 A HN 0.265 nan 8.150 nan 0.000 0.427 214 R N 0.810 120.843 120.500 -0.779 0.000 2.532 214 R HA 0.775 5.116 4.340 0.002 0.000 0.295 214 R C -1.015 175.170 176.300 -0.192 0.000 0.968 214 R CA -0.678 55.169 56.100 -0.422 0.000 0.916 214 R CB 0.780 30.962 30.300 -0.195 0.000 1.124 214 R HN 0.550 nan 8.270 nan 0.000 0.463 215 L N 2.724 123.866 121.223 -0.135 0.000 2.439 215 L HA 0.299 4.640 4.340 0.002 0.000 0.269 215 L C -1.806 175.022 176.870 -0.070 0.000 1.179 215 L CA -2.104 52.676 54.840 -0.100 0.000 0.828 215 L CB 0.202 42.198 42.059 -0.106 0.000 1.106 215 L HN 0.418 nan 8.230 nan 0.000 0.467 216 P HA 0.005 nan 4.420 nan 0.000 0.269 216 P C -0.758 176.529 177.300 -0.022 0.000 1.217 216 P CA -0.191 62.887 63.100 -0.038 0.000 0.783 216 P CB 0.532 32.209 31.700 -0.039 0.000 0.898 217 S N 0.891 116.591 115.700 0.000 0.000 2.617 217 S HA 0.256 4.727 4.470 0.002 0.000 0.283 217 S C 1.075 175.715 174.600 0.066 0.000 1.189 217 S CA -0.624 57.609 58.200 0.055 0.000 1.036 217 S CB 0.492 63.755 63.200 0.106 0.000 1.014 217 S HN 0.131 nan 8.310 nan 0.000 0.522 218 L N 0.941 122.219 121.223 0.092 0.000 2.081 218 L HA -0.037 4.304 4.340 0.002 0.000 0.212 218 L C 2.122 179.059 176.870 0.112 0.000 1.080 218 L CA 1.792 56.684 54.840 0.086 0.000 0.754 218 L CB -1.298 40.819 42.059 0.096 0.000 0.893 218 L HN 0.847 nan 8.230 nan 0.000 0.433 219 F N 0.558 120.526 119.950 0.031 0.000 2.069 219 F HA -0.227 4.301 4.527 0.002 0.000 0.298 219 F C 2.436 178.196 175.800 -0.067 0.000 1.113 219 F CA 1.828 59.822 58.000 -0.010 0.000 1.214 219 F CB -0.260 38.700 39.000 -0.067 0.000 0.978 219 F HN 0.129 nan 8.300 nan 0.000 0.474 220 E N 0.548 120.740 120.200 -0.013 0.000 2.012 220 E HA -0.251 4.100 4.350 0.002 0.000 0.197 220 E C 2.337 178.857 176.600 -0.134 0.000 1.007 220 E CA 1.893 58.229 56.400 -0.106 0.000 0.816 220 E CB -0.557 29.118 29.700 -0.042 0.000 0.762 220 E HN 0.431 nan 8.360 nan 0.000 0.451 221 L N 0.669 121.850 121.223 -0.071 0.000 1.963 221 L HA -0.295 4.046 4.340 0.002 0.000 0.220 221 L C 2.636 179.461 176.870 -0.075 0.000 1.076 221 L CA 1.415 56.219 54.840 -0.060 0.000 0.772 221 L CB -0.729 41.311 42.059 -0.033 0.000 0.892 221 L HN 0.197 nan 8.230 nan 0.000 0.435 222 A N -0.498 122.283 122.820 -0.065 0.000 2.139 222 A HA -0.275 4.046 4.320 0.002 0.000 0.221 222 A C 2.241 179.750 177.584 -0.125 0.000 1.159 222 A CA 1.997 54.016 52.037 -0.031 0.000 0.662 222 A CB -0.583 18.448 19.000 0.050 0.000 0.796 222 A HN 0.354 nan 8.150 nan 0.000 0.463 223 R N 0.729 121.078 120.500 -0.253 0.000 2.064 223 R HA -0.162 4.179 4.340 0.002 0.000 0.228 223 R C 2.178 178.392 176.300 -0.143 0.000 1.144 223 R CA 2.115 58.045 56.100 -0.284 0.000 0.932 223 R CB -0.576 29.519 30.300 -0.342 0.000 0.833 223 R HN 0.759 nan 8.270 nan 0.000 0.429 224 E N -0.292 119.843 120.200 -0.108 0.000 2.085 224 E HA -0.176 4.175 4.350 0.002 0.000 0.194 224 E C 1.798 178.371 176.600 -0.046 0.000 0.994 224 E CA 1.259 57.619 56.400 -0.067 0.000 0.801 224 E CB -0.473 29.194 29.700 -0.055 0.000 0.743 224 E HN 0.375 nan 8.360 nan 0.000 0.453 225 A N 1.018 123.814 122.820 -0.039 0.000 2.131 225 A HA 0.071 4.393 4.320 0.002 0.000 0.220 225 A C 2.161 179.752 177.584 0.011 0.000 1.158 225 A CA 1.462 53.490 52.037 -0.015 0.000 0.665 225 A CB -0.904 18.089 19.000 -0.011 0.000 0.795 225 A HN 0.652 nan 8.150 nan 0.000 0.460 226 G N -3.433 105.369 108.800 0.003 0.000 2.157 226 G HA2 -0.302 3.659 3.960 0.002 0.000 0.248 226 G HA3 -0.302 3.659 3.960 0.002 0.000 0.248 226 G C 0.023 174.974 174.900 0.086 0.000 0.979 226 G CA 0.318 45.431 45.100 0.021 0.000 0.650 226 G HN 0.771 nan 8.290 nan 0.000 0.529 227 Y N 2.518 122.780 120.300 -0.064 0.000 2.365 227 Y HA 0.537 5.088 4.550 0.002 0.000 0.340 227 Y C -1.237 174.633 175.900 -0.050 0.000 1.016 227 Y CA -1.883 56.190 58.100 -0.045 0.000 1.196 227 Y CB 1.733 40.166 38.460 -0.046 0.000 1.167 227 Y HN 0.037 nan 8.280 nan 0.000 0.509 228 P HA 0.160 nan 4.420 nan 0.000 0.268 228 P C 0.618 177.680 177.300 -0.397 0.000 1.329 228 P CA 0.346 63.292 63.100 -0.256 0.000 0.899 228 P CB 0.442 32.174 31.700 0.053 0.000 1.378 229 G N 0.279 108.485 108.800 -0.989 0.000 3.374 229 G HA2 0.270 4.231 3.960 0.002 0.000 0.252 229 G HA3 0.270 4.231 3.960 0.002 0.000 0.252 229 G C -0.021 174.760 174.900 -0.199 0.000 1.326 229 G CA 0.028 44.741 45.100 -0.645 0.000 1.133 229 G HN 0.125 nan 8.290 nan 0.000 0.528 230 V N 0.992 120.877 119.914 -0.049 0.000 2.487 230 V HA 0.390 4.511 4.120 0.002 0.000 0.298 230 V C -0.663 175.569 176.094 0.229 0.000 1.028 230 V CA -0.940 61.439 62.300 0.132 0.000 0.860 230 V CB 1.833 33.795 31.823 0.231 0.000 0.991 230 V HN 0.076 nan 8.190 nan 0.000 0.427 231 I N 5.219 125.858 120.570 0.115 0.000 2.297 231 I HA 0.288 4.459 4.170 0.002 0.000 0.291 231 I C -0.486 175.667 176.117 0.061 0.000 1.033 231 I CA -0.273 61.077 61.300 0.082 0.000 1.253 231 I CB 0.578 38.562 38.000 -0.026 0.000 1.396 231 I HN 0.570 nan 8.210 nan 0.000 0.476 232 Y N 7.300 127.517 120.300 -0.137 0.000 2.350 232 Y HA 0.552 5.103 4.550 0.002 0.000 0.340 232 Y C -0.707 175.026 175.900 -0.279 0.000 1.006 232 Y CA -0.483 57.451 58.100 -0.277 0.000 1.166 232 Y CB 0.651 38.690 38.460 -0.702 0.000 1.168 232 Y HN 0.356 nan 8.280 nan 0.000 0.502 233 L N 6.998 127.742 121.223 -0.798 0.000 2.298 233 L HA 0.650 4.991 4.340 0.002 0.000 0.284 233 L C 0.421 176.638 176.870 -1.090 0.000 1.013 233 L CA -0.669 53.729 54.840 -0.737 0.000 0.824 233 L CB 1.283 43.093 42.059 -0.416 0.000 1.221 233 L HN 0.818 nan 8.230 nan 0.000 0.418 234 G N 1.080 108.997 108.800 -1.472 0.000 2.600 234 G HA2 0.687 4.648 3.960 0.002 0.000 0.303 234 G HA3 0.687 4.648 3.960 0.002 0.000 0.303 234 G C -1.323 172.751 174.900 -1.378 0.000 1.253 234 G CA -0.365 43.763 45.100 -1.619 0.000 0.974 234 G HN 0.466 nan 8.290 nan 0.000 0.483 235 S N -1.711 113.594 115.700 -0.659 0.000 2.625 235 S HA 0.619 5.090 4.470 0.002 0.000 0.271 235 S C -1.156 173.368 174.600 -0.127 0.000 1.161 235 S CA -0.559 57.465 58.200 -0.294 0.000 0.820 235 S CB 1.066 64.141 63.200 -0.208 0.000 1.137 235 S HN 0.386 nan 8.310 nan 0.000 0.470 236 F N 1.236 121.338 119.950 0.254 0.000 2.688 236 F HA 0.329 4.857 4.527 0.002 0.000 0.310 236 F C 2.079 177.989 175.800 0.183 0.000 1.098 236 F CA -0.149 58.016 58.000 0.274 0.000 1.228 236 F CB 0.445 39.589 39.000 0.240 0.000 1.042 236 F HN 0.467 nan 8.300 nan 0.000 0.557 237 S N -0.012 115.835 115.700 0.244 0.000 2.383 237 S HA -0.097 4.374 4.470 0.002 0.000 0.227 237 S C 1.873 176.593 174.600 0.200 0.000 1.026 237 S CA 1.091 59.402 58.200 0.184 0.000 0.981 237 S CB -0.047 63.214 63.200 0.101 0.000 0.818 237 S HN 0.197 nan 8.310 nan 0.000 0.472 238 K N 1.184 121.670 120.400 0.143 0.000 2.367 238 K HA 0.223 4.545 4.320 0.002 0.000 0.194 238 K C 1.570 178.301 176.600 0.218 0.000 1.027 238 K CA 0.433 56.805 56.287 0.142 0.000 1.075 238 K CB 0.358 32.836 32.500 -0.036 0.000 0.845 238 K HN 0.500 nan 8.250 nan 0.000 0.529 239 V N -3.663 116.419 119.914 0.280 0.000 3.572 239 V HA 0.256 4.377 4.120 0.002 0.000 0.260 239 V C 1.490 177.793 176.094 0.349 0.000 1.324 239 V CA -0.066 62.420 62.300 0.310 0.000 1.068 239 V CB 0.042 32.068 31.823 0.337 0.000 0.837 239 V HN 0.080 nan 8.190 nan 0.000 0.450 240 L N -0.065 121.386 121.223 0.380 0.000 3.031 240 L HA 0.585 4.926 4.340 0.002 0.000 0.167 240 L C 0.516 177.585 176.870 0.331 0.000 1.203 240 L CA 1.020 56.060 54.840 0.333 0.000 0.857 240 L CB 1.401 43.632 42.059 0.286 0.000 1.368 240 L HN 0.444 nan 8.230 nan 0.000 0.534 241 S N -0.246 115.606 115.700 0.253 0.000 2.592 241 S HA 0.404 4.875 4.470 0.002 0.000 0.275 241 S C -2.434 172.226 174.600 0.100 0.000 1.169 241 S CA -0.907 57.353 58.200 0.101 0.000 0.958 241 S CB 1.816 64.951 63.200 -0.107 0.000 1.095 241 S HN 0.114 nan 8.310 nan 0.000 0.471 242 P HA 0.191 nan 4.420 nan 0.000 0.230 242 P C 1.414 178.731 177.300 0.029 0.000 1.168 242 P CA 0.685 63.847 63.100 0.103 0.000 0.793 242 P CB -0.131 31.665 31.700 0.160 0.000 0.851 243 G N 1.154 109.913 108.800 -0.067 0.000 2.394 243 G HA2 -0.161 3.800 3.960 0.002 0.000 0.215 243 G HA3 -0.161 3.800 3.960 0.002 0.000 0.215 243 G C 1.612 176.476 174.900 -0.060 0.000 1.165 243 G CA 0.256 45.305 45.100 -0.085 0.000 0.784 243 G HN 0.192 nan 8.290 nan 0.000 0.535 244 L N -0.321 120.862 121.223 -0.067 0.000 2.349 244 L HA -0.012 4.329 4.340 0.002 0.000 0.220 244 L C 0.837 177.707 176.870 0.001 0.000 1.130 244 L CA 0.217 55.032 54.840 -0.042 0.000 0.791 244 L CB -0.260 41.771 42.059 -0.046 0.000 0.918 244 L HN 0.131 nan 8.230 nan 0.000 0.444 245 R N -0.495 120.023 120.500 0.030 0.000 3.205 245 R HA -0.128 4.213 4.340 0.002 0.000 0.249 245 R C -1.168 175.184 176.300 0.088 0.000 0.937 245 R CA 0.262 56.394 56.100 0.053 0.000 0.641 245 R CB -2.735 27.580 30.300 0.025 0.000 1.114 245 R HN 0.120 nan 8.270 nan 0.000 0.451 246 V N 0.012 120.019 119.914 0.154 0.000 2.380 246 V HA 0.808 4.929 4.120 0.002 0.000 0.286 246 V C 0.439 176.793 176.094 0.433 0.000 1.015 246 V CA -0.208 62.233 62.300 0.236 0.000 0.834 246 V CB 1.839 33.763 31.823 0.168 0.000 1.009 246 V HN 0.582 nan 8.190 nan 0.000 0.428 247 A N 4.853 127.867 122.820 0.323 0.000 2.483 247 A HA 1.106 5.427 4.320 0.002 0.000 0.286 247 A C -1.070 176.697 177.584 0.304 0.000 1.207 247 A CA -0.624 51.562 52.037 0.248 0.000 0.764 247 A CB 2.075 21.074 19.000 -0.003 0.000 1.341 247 A HN 1.064 nan 8.150 nan 0.000 0.428 248 F N -2.994 116.989 119.950 0.054 0.000 2.664 248 F HA 0.920 5.448 4.527 0.002 0.000 0.317 248 F C -0.335 175.447 175.800 -0.030 0.000 1.108 248 F CA -0.890 57.139 58.000 0.049 0.000 0.957 248 F CB 1.567 40.620 39.000 0.088 0.000 1.365 248 F HN 0.969 nan 8.300 nan 0.000 0.475 249 A N 1.099 124.010 122.820 0.151 0.000 2.455 249 A HA 0.785 5.106 4.320 0.002 0.000 0.300 249 A C -1.983 175.676 177.584 0.124 0.000 1.040 249 A CA -0.806 51.246 52.037 0.026 0.000 0.697 249 A CB 1.651 20.654 19.000 0.005 0.000 1.265 249 A HN 0.945 nan 8.150 nan 0.000 0.407 250 V N 0.594 120.542 119.914 0.057 0.000 2.588 250 V HA 0.930 5.051 4.120 0.002 0.000 0.304 250 V C 0.265 176.380 176.094 0.035 0.000 1.042 250 V CA 0.164 62.472 62.300 0.013 0.000 0.877 250 V CB 1.100 32.822 31.823 -0.169 0.000 0.996 250 V HN 1.887 nan 8.190 nan 0.000 0.425 251 A N 2.038 124.938 122.820 0.133 0.000 2.586 251 A HA 0.622 4.943 4.320 0.002 0.000 0.290 251 A C -0.853 176.868 177.584 0.227 0.000 1.086 251 A CA -0.662 51.508 52.037 0.222 0.000 0.665 251 A CB 1.048 20.156 19.000 0.180 0.000 1.279 251 A HN 0.967 nan 8.150 nan 0.000 0.423 252 H N 0.798 119.940 119.070 0.120 0.000 3.038 252 H HA 0.066 4.623 4.556 0.002 0.000 0.338 252 H C -1.704 173.659 175.328 0.057 0.000 1.041 252 H CA -0.099 55.989 56.048 0.066 0.000 1.394 252 H CB 0.951 30.728 29.762 0.024 0.000 1.357 252 H HN 0.220 nan 8.280 nan 0.000 0.600 253 P HA -0.235 nan 4.420 nan 0.000 0.216 253 P C 1.350 178.775 177.300 0.209 0.000 1.167 253 P CA 2.457 65.596 63.100 0.065 0.000 0.914 253 P CB 0.070 31.724 31.700 -0.076 0.000 0.793 254 E N -0.782 119.659 120.200 0.402 0.000 2.171 254 E HA -0.232 4.119 4.350 0.002 0.000 0.197 254 E C 1.794 178.464 176.600 0.118 0.000 0.997 254 E CA 1.546 58.074 56.400 0.213 0.000 0.810 254 E CB -0.577 29.217 29.700 0.156 0.000 0.738 254 E HN 0.152 nan 8.360 nan 0.000 0.467 255 A N 0.888 123.804 122.820 0.160 0.000 1.903 255 A HA -0.004 4.317 4.320 0.002 0.000 0.213 255 A C 2.121 179.759 177.584 0.089 0.000 1.185 255 A CA 0.539 52.638 52.037 0.103 0.000 0.628 255 A CB -0.440 18.664 19.000 0.175 0.000 0.830 255 A HN 0.411 nan 8.150 nan 0.000 0.446 256 L N -0.245 121.052 121.223 0.123 0.000 2.191 256 L HA -0.165 4.176 4.340 0.002 0.000 0.212 256 L C 2.051 178.955 176.870 0.056 0.000 1.103 256 L CA 1.785 56.679 54.840 0.091 0.000 0.769 256 L CB -0.761 41.356 42.059 0.097 0.000 0.908 256 L HN 0.408 nan 8.230 nan 0.000 0.438 257 Q N -0.197 119.632 119.800 0.048 0.000 2.096 257 Q HA -0.118 4.223 4.340 0.002 0.000 0.197 257 Q C 1.986 177.985 176.000 -0.002 0.000 0.964 257 Q CA 0.844 56.662 55.803 0.025 0.000 0.838 257 Q CB -0.238 28.515 28.738 0.026 0.000 0.906 257 Q HN 0.354 nan 8.270 nan 0.000 0.444 258 K N 0.802 121.185 120.400 -0.029 0.000 2.362 258 K HA 0.014 4.335 4.320 0.002 0.000 0.200 258 K C 2.109 178.671 176.600 -0.063 0.000 1.046 258 K CA 0.491 56.734 56.287 -0.073 0.000 0.952 258 K CB -0.096 32.311 32.500 -0.156 0.000 0.753 258 K HN 0.239 nan 8.250 nan 0.000 0.466 259 L N -0.274 120.931 121.223 -0.030 0.000 2.162 259 L HA -0.075 4.266 4.340 0.002 0.000 0.205 259 L C 2.243 179.121 176.870 0.014 0.000 1.086 259 L CA 0.342 55.179 54.840 -0.005 0.000 0.778 259 L CB -0.337 41.738 42.059 0.027 0.000 0.928 259 L HN -0.176 nan 8.230 nan 0.000 0.446 260 V N -0.150 119.778 119.914 0.022 0.000 2.295 260 V HA -0.300 3.821 4.120 0.002 0.000 0.246 260 V C 2.419 178.525 176.094 0.021 0.000 1.049 260 V CA 1.758 64.077 62.300 0.032 0.000 1.024 260 V CB -0.555 31.289 31.823 0.035 0.000 0.648 260 V HN 0.486 nan 8.190 nan 0.000 0.447 261 Q N -0.147 119.657 119.800 0.007 0.000 2.124 261 Q HA -0.127 4.214 4.340 0.002 0.000 0.202 261 Q C 2.319 178.318 176.000 -0.002 0.000 0.977 261 Q CA 1.707 57.510 55.803 0.000 0.000 0.850 261 Q CB -0.378 28.355 28.738 -0.010 0.000 0.901 261 Q HN 0.677 nan 8.270 nan 0.000 0.429 262 A N 1.026 123.842 122.820 -0.007 0.000 1.970 262 A HA -0.115 4.206 4.320 0.002 0.000 0.216 262 A C 2.036 179.625 177.584 0.008 0.000 1.170 262 A CA 0.878 52.911 52.037 -0.007 0.000 0.645 262 A CB -0.169 18.819 19.000 -0.019 0.000 0.816 262 A HN 0.027 nan 8.150 nan 0.000 0.447 263 K N -0.151 120.260 120.400 0.018 0.000 2.062 263 K HA -0.128 4.193 4.320 0.002 0.000 0.205 263 K C 2.111 178.731 176.600 0.033 0.000 1.051 263 K CA 1.426 57.731 56.287 0.030 0.000 0.941 263 K CB -0.307 32.219 32.500 0.044 0.000 0.719 263 K HN 0.566 nan 8.250 nan 0.000 0.440 264 Q N -0.139 119.680 119.800 0.032 0.000 2.096 264 Q HA -0.123 4.218 4.340 0.002 0.000 0.204 264 Q C 1.690 177.703 176.000 0.022 0.000 0.982 264 Q CA 1.982 57.805 55.803 0.034 0.000 0.850 264 Q CB -0.259 28.493 28.738 0.023 0.000 0.901 264 Q HN 0.462 nan 8.270 nan 0.000 0.422 265 G N -0.853 107.954 108.800 0.013 0.000 2.848 265 G HA2 0.110 4.071 3.960 0.002 0.000 0.208 265 G HA3 0.110 4.071 3.960 0.002 0.000 0.208 265 G C 1.081 175.987 174.900 0.010 0.000 1.152 265 G CA 0.630 45.735 45.100 0.008 0.000 0.789 265 G HN 0.413 nan 8.290 nan 0.000 0.531 266 A N 0.816 123.644 122.820 0.012 0.000 2.014 266 A HA 0.324 4.645 4.320 0.002 0.000 0.210 266 A C 1.474 179.062 177.584 0.006 0.000 1.188 266 A CA 1.544 53.586 52.037 0.009 0.000 0.731 266 A CB 0.409 19.416 19.000 0.010 0.000 0.858 266 A HN 0.361 nan 8.150 nan 0.000 0.464 267 D N -2.400 118.006 120.400 0.010 0.000 2.742 267 D HA 0.143 4.784 4.640 0.002 0.000 0.302 267 D C 0.664 176.965 176.300 0.001 0.000 1.588 267 D CA 0.325 54.322 54.000 -0.004 0.000 0.873 267 D CB -1.104 39.682 40.800 -0.023 0.000 1.418 267 D HN 0.231 nan 8.370 nan 0.000 0.420 268 L N -0.317 120.930 121.223 0.039 0.000 3.419 268 L HA -0.334 4.007 4.340 0.002 0.000 0.211 268 L C 0.425 177.398 176.870 0.173 0.000 4.425 268 L CA 2.354 57.249 54.840 0.092 0.000 0.584 268 L CB -1.789 40.353 42.059 0.138 0.000 3.534 268 L HN 0.726 nan 8.230 nan 0.000 0.751 269 H N -2.048 117.072 119.070 0.083 0.000 3.037 269 H HA 0.405 4.962 4.556 0.002 0.000 0.336 269 H C -1.106 174.269 175.328 0.077 0.000 1.323 269 H CA -0.160 55.938 56.048 0.083 0.000 1.159 269 H CB 1.347 31.169 29.762 0.099 0.000 1.882 269 H HN -0.023 nan 8.280 nan 0.000 0.535 270 T N 3.863 118.484 114.554 0.111 0.000 2.832 270 T HA 0.209 4.560 4.350 0.002 0.000 0.296 270 T C -2.395 172.359 174.700 0.090 0.000 0.968 270 T CA -0.770 61.360 62.100 0.050 0.000 1.107 270 T CB 0.584 69.516 68.868 0.106 0.000 0.916 270 T HN 0.354 nan 8.240 nan 0.000 0.517 271 P HA -0.068 nan 4.420 nan 0.000 0.262 271 P C 0.543 177.885 177.300 0.071 0.000 1.151 271 P CA 0.240 63.348 63.100 0.013 0.000 0.757 271 P CB 0.352 32.034 31.700 -0.030 0.000 0.754 272 M N 5.020 124.670 119.600 0.084 0.000 2.236 272 M HA -0.043 4.438 4.480 0.002 0.000 0.266 272 M C 1.520 177.723 176.300 -0.160 0.000 1.070 272 M CA 1.377 56.657 55.300 -0.033 0.000 1.137 272 M CB -0.824 31.745 32.600 -0.051 0.000 1.378 272 M HN 0.288 nan 8.290 nan 0.000 0.426 273 L N 0.438 121.594 121.223 -0.112 0.000 2.012 273 L HA -0.280 4.061 4.340 0.002 0.000 0.210 273 L C 1.635 178.423 176.870 -0.136 0.000 1.073 273 L CA 2.186 56.946 54.840 -0.134 0.000 0.748 273 L CB -1.314 40.690 42.059 -0.092 0.000 0.891 273 L HN 0.508 nan 8.230 nan 0.000 0.431 274 N N -0.569 118.075 118.700 -0.094 0.000 2.120 274 N HA -0.236 4.505 4.740 0.002 0.000 0.188 274 N C 1.659 177.111 175.510 -0.097 0.000 1.024 274 N CA 1.260 54.260 53.050 -0.083 0.000 0.852 274 N CB -0.145 38.314 38.487 -0.047 0.000 1.003 274 N HN 0.571 nan 8.380 nan 0.000 0.424 275 Q N 0.583 120.336 119.800 -0.078 0.000 2.124 275 Q HA -0.049 4.292 4.340 0.002 0.000 0.202 275 Q C 2.056 178.018 176.000 -0.063 0.000 0.977 275 Q CA 1.183 56.967 55.803 -0.032 0.000 0.850 275 Q CB -0.068 28.710 28.738 0.067 0.000 0.901 275 Q HN 0.480 nan 8.270 nan 0.000 0.429 276 M N -0.105 119.325 119.600 -0.283 0.000 2.156 276 M HA -0.117 4.364 4.480 0.002 0.000 0.264 276 M C 2.152 178.372 176.300 -0.135 0.000 1.067 276 M CA 0.864 55.978 55.300 -0.310 0.000 1.131 276 M CB -0.274 32.013 32.600 -0.520 0.000 1.368 276 M HN 0.196 nan 8.290 nan 0.000 0.416 277 L N 0.340 121.470 121.223 -0.156 0.000 2.079 277 L HA -0.110 4.231 4.340 0.002 0.000 0.210 277 L C 2.145 178.916 176.870 -0.164 0.000 1.081 277 L CA 1.553 56.309 54.840 -0.140 0.000 0.752 277 L CB -0.509 41.477 42.059 -0.122 0.000 0.896 277 L HN 0.014 nan 8.230 nan 0.000 0.433 278 V N -0.666 119.125 119.914 -0.205 0.000 2.358 278 V HA -0.314 3.807 4.120 0.002 0.000 0.246 278 V C 2.468 178.319 176.094 -0.404 0.000 1.047 278 V CA 1.962 64.052 62.300 -0.350 0.000 1.035 278 V CB -0.765 30.742 31.823 -0.527 0.000 0.658 278 V HN 0.721 nan 8.190 nan 0.000 0.452 279 H N -0.136 118.688 119.070 -0.411 0.000 2.256 279 H HA -0.165 4.392 4.556 0.002 0.000 0.299 279 H C 2.446 177.529 175.328 -0.408 0.000 1.071 279 H CA 1.581 57.336 56.048 -0.489 0.000 1.280 279 H CB 0.245 29.900 29.762 -0.178 0.000 1.370 279 H HN 0.313 nan 8.280 nan 0.000 0.490 280 E N 1.019 121.071 120.200 -0.248 0.000 2.086 280 E HA -0.227 4.124 4.350 0.002 0.000 0.205 280 E C 2.606 179.088 176.600 -0.197 0.000 1.027 280 E CA 1.133 57.368 56.400 -0.274 0.000 0.830 280 E CB -0.601 28.982 29.700 -0.195 0.000 0.751 280 E HN 0.572 nan 8.360 nan 0.000 0.456 281 L N 0.400 121.516 121.223 -0.177 0.000 2.081 281 L HA -0.172 4.169 4.340 0.002 0.000 0.212 281 L C 1.716 178.508 176.870 -0.130 0.000 1.080 281 L CA 0.883 55.645 54.840 -0.129 0.000 0.754 281 L CB -0.333 41.660 42.059 -0.109 0.000 0.893 281 L HN 0.199 nan 8.230 nan 0.000 0.433 282 L N -1.912 119.153 121.223 -0.264 0.000 3.202 282 L HA 0.181 4.522 4.340 0.002 0.000 0.278 282 L C 1.305 178.017 176.870 -0.264 0.000 1.268 282 L CA 0.108 54.788 54.840 -0.268 0.000 1.034 282 L CB -0.783 40.986 42.059 -0.483 0.000 1.407 282 L HN 0.264 nan 8.230 nan 0.000 0.581 283 K N 1.551 121.855 120.400 -0.159 0.000 2.525 283 K HA 0.072 4.393 4.320 0.002 0.000 0.192 283 K C -0.107 176.584 176.600 0.151 0.000 1.029 283 K CA 0.458 56.777 56.287 0.054 0.000 1.029 283 K CB 0.320 32.839 32.500 0.032 0.000 0.814 283 K HN 0.713 nan 8.250 nan 0.000 0.503 284 E N -1.876 118.389 120.200 0.108 0.000 2.431 284 E HA 0.317 4.669 4.350 0.002 0.000 0.287 284 E C -0.291 176.388 176.600 0.131 0.000 1.032 284 E CA -0.741 55.735 56.400 0.127 0.000 0.839 284 E CB 1.028 30.775 29.700 0.078 0.000 1.218 284 E HN 0.078 nan 8.360 nan 0.000 0.424 285 G N 1.563 110.452 108.800 0.147 0.000 2.160 285 G HA2 -0.339 3.622 3.960 0.002 0.000 0.244 285 G HA3 -0.339 3.622 3.960 0.002 0.000 0.244 285 G C 0.016 175.039 174.900 0.205 0.000 1.022 285 G CA 0.369 45.550 45.100 0.134 0.000 0.741 285 G HN 0.481 nan 8.290 nan 0.000 0.508 286 F N 1.594 121.572 119.950 0.047 0.000 2.234 286 F HA 0.091 4.619 4.527 0.002 0.000 0.296 286 F C 2.379 178.184 175.800 0.008 0.000 1.089 286 F CA 1.785 59.803 58.000 0.030 0.000 1.343 286 F CB -0.395 38.636 39.000 0.052 0.000 1.040 286 F HN 0.196 nan 8.300 nan 0.000 0.498 287 S N 0.417 116.109 115.700 -0.012 0.000 2.356 287 S HA -0.199 4.272 4.470 0.002 0.000 0.223 287 S C 1.721 176.272 174.600 -0.082 0.000 1.032 287 S CA 1.657 59.786 58.200 -0.118 0.000 1.005 287 S CB -0.342 62.848 63.200 -0.017 0.000 0.867 287 S HN 0.398 nan 8.310 nan 0.000 0.449 288 E N 1.186 121.379 120.200 -0.010 0.000 2.110 288 E HA -0.099 4.253 4.350 0.002 0.000 0.193 288 E C 2.088 178.685 176.600 -0.005 0.000 0.988 288 E CA 0.801 57.202 56.400 0.000 0.000 0.804 288 E CB -0.196 29.518 29.700 0.024 0.000 0.745 288 E HN 0.415 nan 8.360 nan 0.000 0.458 289 R N 0.370 120.878 120.500 0.014 0.000 2.081 289 R HA -0.127 4.214 4.340 0.002 0.000 0.235 289 R C 1.779 178.069 176.300 -0.017 0.000 1.131 289 R CA 0.997 57.120 56.100 0.037 0.000 0.960 289 R CB -0.204 30.174 30.300 0.129 0.000 0.856 289 R HN 0.143 nan 8.270 nan 0.000 0.436 290 L N 1.202 122.341 121.223 -0.140 0.000 2.141 290 L HA -0.080 4.261 4.340 0.002 0.000 0.209 290 L C 2.133 178.935 176.870 -0.112 0.000 1.094 290 L CA 1.717 56.437 54.840 -0.200 0.000 0.763 290 L CB -0.583 41.213 42.059 -0.439 0.000 0.908 290 L HN 0.214 nan 8.230 nan 0.000 0.437 291 E N -0.774 119.377 120.200 -0.081 0.000 2.158 291 E HA -0.150 4.201 4.350 0.002 0.000 0.191 291 E C 2.371 178.956 176.600 -0.026 0.000 0.982 291 E CA 0.596 56.965 56.400 -0.051 0.000 0.823 291 E CB -0.004 29.680 29.700 -0.026 0.000 0.766 291 E HN 0.279 nan 8.360 nan 0.000 0.468 292 R N -0.061 120.430 120.500 -0.015 0.000 2.073 292 R HA -0.106 4.235 4.340 0.002 0.000 0.234 292 R C 2.287 178.588 176.300 0.002 0.000 1.134 292 R CA 1.562 57.656 56.100 -0.010 0.000 0.952 292 R CB -0.612 29.685 30.300 -0.005 0.000 0.850 292 R HN 0.245 nan 8.270 nan 0.000 0.433 293 V N 0.860 120.802 119.914 0.047 0.000 2.392 293 V HA -0.242 3.879 4.120 0.002 0.000 0.249 293 V C 2.318 178.559 176.094 0.245 0.000 1.059 293 V CA 2.161 64.555 62.300 0.157 0.000 1.051 293 V CB -0.448 31.518 31.823 0.240 0.000 0.658 293 V HN 0.364 nan 8.190 nan 0.000 0.455 294 R N -0.062 120.503 120.500 0.108 0.000 2.080 294 R HA -0.157 4.184 4.340 0.002 0.000 0.236 294 R C 2.658 178.996 176.300 0.064 0.000 1.137 294 R CA 2.415 58.568 56.100 0.089 0.000 0.943 294 R CB -0.592 29.671 30.300 -0.062 0.000 0.846 294 R HN 0.623 nan 8.270 nan 0.000 0.431 295 R N -0.131 120.364 120.500 -0.007 0.000 2.073 295 R HA -0.120 4.221 4.340 0.002 0.000 0.234 295 R C 1.960 178.191 176.300 -0.114 0.000 1.134 295 R CA 1.855 57.913 56.100 -0.069 0.000 0.952 295 R CB -0.369 29.895 30.300 -0.059 0.000 0.850 295 R HN 0.116 nan 8.270 nan 0.000 0.433 296 V N 0.506 120.356 119.914 -0.106 0.000 2.282 296 V HA -0.306 3.815 4.120 0.002 0.000 0.249 296 V C 2.069 178.025 176.094 -0.230 0.000 1.057 296 V CA 2.067 64.248 62.300 -0.198 0.000 1.032 296 V CB -0.758 30.891 31.823 -0.291 0.000 0.645 296 V HN 0.388 nan 8.190 nan 0.000 0.447 297 Y N -0.189 120.062 120.300 -0.082 0.000 2.220 297 Y HA -0.154 4.396 4.550 0.002 0.000 0.291 297 Y C 2.753 178.375 175.900 -0.464 0.000 1.129 297 Y CA 1.832 59.903 58.100 -0.049 0.000 1.161 297 Y CB -0.335 38.257 38.460 0.219 0.000 0.997 297 Y HN 0.053 nan 8.280 nan 0.000 0.522 298 R N 1.247 121.371 120.500 -0.626 0.000 2.094 298 R HA -0.243 4.098 4.340 0.002 0.000 0.239 298 R C 1.992 177.870 176.300 -0.704 0.000 1.137 298 R CA 2.365 57.723 56.100 -1.238 0.000 0.943 298 R CB -0.307 29.503 30.300 -0.816 0.000 0.850 298 R HN 0.599 nan 8.270 nan 0.000 0.433 299 E N 0.160 120.109 120.200 -0.419 0.000 2.204 299 E HA -0.180 4.171 4.350 0.002 0.000 0.194 299 E C 1.802 178.212 176.600 -0.316 0.000 0.989 299 E CA 0.938 57.157 56.400 -0.302 0.000 0.824 299 E CB -0.102 29.482 29.700 -0.193 0.000 0.756 299 E HN 0.363 nan 8.360 nan 0.000 0.477 300 K N 0.978 121.168 120.400 -0.349 0.000 2.025 300 K HA -0.063 4.258 4.320 0.002 0.000 0.207 300 K C 2.360 178.558 176.600 -0.671 0.000 1.049 300 K CA 1.175 57.257 56.287 -0.342 0.000 0.933 300 K CB -0.210 32.197 32.500 -0.156 0.000 0.714 300 K HN 0.168 nan 8.250 nan 0.000 0.438 301 A N 1.219 123.425 122.820 -1.024 0.000 1.865 301 A HA -0.259 4.062 4.320 0.002 0.000 0.217 301 A C 2.160 179.401 177.584 -0.572 0.000 1.191 301 A CA 1.720 53.097 52.037 -1.100 0.000 0.623 301 A CB -0.655 17.920 19.000 -0.709 0.000 0.826 301 A HN 0.215 nan 8.150 nan 0.000 0.444 302 Q N -0.261 119.240 119.800 -0.498 0.000 2.234 302 Q HA -0.058 4.283 4.340 0.002 0.000 0.206 302 Q C 1.976 177.712 176.000 -0.440 0.000 0.980 302 Q CA 1.876 57.397 55.803 -0.470 0.000 0.869 302 Q CB -0.656 27.857 28.738 -0.375 0.000 0.912 302 Q HN 0.605 nan 8.270 nan 0.000 0.436 303 A N -0.308 122.341 122.820 -0.286 0.000 1.969 303 A HA -0.138 4.183 4.320 0.002 0.000 0.218 303 A C 2.068 179.581 177.584 -0.119 0.000 1.169 303 A CA 1.530 53.488 52.037 -0.133 0.000 0.635 303 A CB -0.515 18.423 19.000 -0.103 0.000 0.810 303 A HN 0.556 nan 8.150 nan 0.000 0.445 304 M N -0.580 118.902 119.600 -0.197 0.000 2.160 304 M HA 0.022 4.503 4.480 0.002 0.000 0.264 304 M C 1.853 178.057 176.300 -0.160 0.000 1.073 304 M CA 1.393 56.597 55.300 -0.160 0.000 1.142 304 M CB -0.310 32.195 32.600 -0.159 0.000 1.358 304 M HN 0.346 nan 8.290 nan 0.000 0.422 305 L N -0.314 120.794 121.223 -0.192 0.000 1.990 305 L HA -0.310 4.031 4.340 0.002 0.000 0.213 305 L C 2.399 179.249 176.870 -0.034 0.000 1.072 305 L CA 2.104 56.874 54.840 -0.118 0.000 0.755 305 L CB -1.409 40.534 42.059 -0.193 0.000 0.889 305 L HN 0.462 nan 8.230 nan 0.000 0.432 306 H N -0.979 118.076 119.070 -0.025 0.000 2.387 306 H HA -0.139 4.418 4.556 0.002 0.000 0.299 306 H C 2.286 177.602 175.328 -0.020 0.000 1.090 306 H CA 0.745 56.785 56.048 -0.014 0.000 1.332 306 H CB -0.037 29.709 29.762 -0.027 0.000 1.386 306 H HN 0.438 nan 8.280 nan 0.000 0.516 307 A N 1.032 123.895 122.820 0.071 0.000 1.873 307 A HA -0.125 4.196 4.320 0.002 0.000 0.215 307 A C 2.356 179.921 177.584 -0.031 0.000 1.186 307 A CA 1.149 53.197 52.037 0.017 0.000 0.616 307 A CB -0.744 18.254 19.000 -0.003 0.000 0.823 307 A HN 0.252 nan 8.150 nan 0.000 0.442 308 L N -0.459 120.694 121.223 -0.116 0.000 1.976 308 L HA -0.220 4.121 4.340 0.002 0.000 0.209 308 L C 2.238 179.087 176.870 -0.035 0.000 1.071 308 L CA 1.623 56.317 54.840 -0.243 0.000 0.746 308 L CB -0.861 40.803 42.059 -0.657 0.000 0.890 308 L HN 0.292 nan 8.230 nan 0.000 0.432 309 D N -0.409 120.060 120.400 0.115 0.000 2.220 309 D HA -0.248 4.393 4.640 0.002 0.000 0.198 309 D C 2.234 178.601 176.300 0.112 0.000 1.001 309 D CA 1.321 55.440 54.000 0.199 0.000 0.875 309 D CB -0.149 40.760 40.800 0.181 0.000 0.921 309 D HN 0.250 nan 8.370 nan 0.000 0.454 310 R N 0.053 120.595 120.500 0.070 0.000 2.080 310 R HA -0.053 4.288 4.340 0.002 0.000 0.222 310 R C 1.539 177.858 176.300 0.031 0.000 1.107 310 R CA 0.851 56.978 56.100 0.044 0.000 0.980 310 R CB 0.361 30.682 30.300 0.036 0.000 0.879 310 R HN 0.003 nan 8.270 nan 0.000 0.439 311 E N 0.226 120.435 120.200 0.015 0.000 2.251 311 E HA -0.002 4.349 4.350 0.002 0.000 0.194 311 E C 0.537 177.140 176.600 0.006 0.000 0.964 311 E CA 0.334 56.739 56.400 0.007 0.000 0.868 311 E CB 0.284 29.984 29.700 -0.000 0.000 0.828 311 E HN 0.204 nan 8.360 nan 0.000 0.481 312 V N 2.032 121.945 119.914 -0.002 0.000 2.530 312 V HA 0.307 4.428 4.120 0.002 0.000 0.282 312 V C -2.307 173.826 176.094 0.065 0.000 1.048 312 V CA -1.947 60.362 62.300 0.014 0.000 0.997 312 V CB 0.809 32.617 31.823 -0.024 0.000 0.987 312 V HN -0.130 nan 8.190 nan 0.000 0.477 313 P HA 0.104 nan 4.420 nan 0.000 0.269 313 P C 0.121 177.456 177.300 0.058 0.000 1.211 313 P CA -0.142 62.984 63.100 0.043 0.000 0.781 313 P CB 0.504 32.220 31.700 0.027 0.000 0.877 314 K N 1.473 121.896 120.400 0.038 0.000 2.439 314 K HA -0.064 4.257 4.320 0.002 0.000 0.197 314 K C 1.311 177.916 176.600 0.008 0.000 1.041 314 K CA 1.114 57.416 56.287 0.024 0.000 0.970 314 K CB -0.430 32.076 32.500 0.010 0.000 0.773 314 K HN 0.361 nan 8.250 nan 0.000 0.479 315 E N 1.225 121.432 120.200 0.013 0.000 2.204 315 E HA -0.081 4.270 4.350 0.002 0.000 0.194 315 E C 0.959 177.561 176.600 0.002 0.000 0.989 315 E CA 0.453 56.855 56.400 0.004 0.000 0.824 315 E CB -0.288 29.416 29.700 0.006 0.000 0.756 315 E HN 0.290 nan 8.360 nan 0.000 0.477 316 V N -0.504 119.422 119.914 0.020 0.000 2.644 316 V HA 0.505 4.626 4.120 0.002 0.000 0.295 316 V C -0.041 176.071 176.094 0.030 0.000 1.053 316 V CA -1.067 61.251 62.300 0.029 0.000 0.987 316 V CB 1.617 33.467 31.823 0.045 0.000 1.006 316 V HN -0.093 nan 8.190 nan 0.000 0.472 317 R N 3.188 123.689 120.500 0.002 0.000 2.828 317 R HA 0.707 5.048 4.340 0.002 0.000 0.264 317 R C -1.345 174.970 176.300 0.025 0.000 1.022 317 R CA -0.473 55.570 56.100 -0.095 0.000 1.021 317 R CB 1.613 31.865 30.300 -0.081 0.000 1.163 317 R HN 1.063 nan 8.270 nan 0.000 0.494 318 Y N -3.456 116.822 120.300 -0.036 0.000 2.465 318 Y HA 0.272 4.823 4.550 0.002 0.000 0.323 318 Y C -0.206 175.709 175.900 0.024 0.000 1.191 318 Y CA -1.354 56.727 58.100 -0.032 0.000 1.082 318 Y CB 0.345 38.767 38.460 -0.063 0.000 1.334 318 Y HN 0.667 nan 8.280 nan 0.000 0.449 319 T N 0.180 114.860 114.554 0.210 0.000 2.795 319 T HA 0.442 4.793 4.350 0.002 0.000 0.314 319 T C -0.122 174.696 174.700 0.197 0.000 1.069 319 T CA -0.765 61.438 62.100 0.172 0.000 1.071 319 T CB 0.621 69.615 68.868 0.211 0.000 0.988 319 T HN 0.793 nan 8.240 nan 0.000 0.543 320 R N 1.756 122.342 120.500 0.143 0.000 2.443 320 R HA 0.316 4.657 4.340 0.002 0.000 0.287 320 R C -2.747 173.641 176.300 0.148 0.000 1.425 320 R CA -1.644 54.542 56.100 0.144 0.000 1.300 320 R CB 0.601 30.959 30.300 0.097 0.000 1.129 320 R HN 0.531 nan 8.270 nan 0.000 0.577 321 P HA -0.085 nan 4.420 nan 0.000 0.264 321 P C -0.183 177.222 177.300 0.173 0.000 1.173 321 P CA 0.248 63.451 63.100 0.172 0.000 0.761 321 P CB 0.669 32.501 31.700 0.219 0.000 0.794 322 K N 1.343 121.795 120.400 0.088 0.000 2.564 322 K HA 0.489 4.810 4.320 0.002 0.000 0.205 322 K C 0.314 176.557 176.600 -0.595 0.000 1.053 322 K CA -0.274 56.062 56.287 0.082 0.000 1.072 322 K CB 0.748 33.393 32.500 0.242 0.000 0.822 322 K HN 0.745 nan 8.250 nan 0.000 0.497 323 G N -0.729 107.104 108.800 -1.612 0.000 2.321 323 G HA2 0.387 4.348 3.960 0.002 0.000 0.298 323 G HA3 0.387 4.348 3.960 0.002 0.000 0.298 323 G C -0.256 173.537 174.900 -1.845 0.000 1.385 323 G CA -0.243 43.059 45.100 -2.997 0.000 0.856 323 G HN 0.316 nan 8.290 nan 0.000 0.584 324 G N -0.602 107.342 108.800 -1.426 0.000 2.593 324 G HA2 0.249 4.210 3.960 0.002 0.000 0.237 324 G HA3 0.249 4.210 3.960 0.002 0.000 0.237 324 G C 0.756 175.310 174.900 -0.577 0.000 1.312 324 G CA 1.033 45.568 45.100 -0.942 0.000 0.896 324 G HN 2.186 nan 8.290 nan 0.000 0.574 325 M N -2.122 116.991 119.600 -0.812 0.000 2.687 325 M HA 0.644 5.125 4.480 0.002 0.000 0.413 325 M C -0.653 174.828 176.300 -1.364 0.000 1.216 325 M CA -0.179 54.496 55.300 -1.041 0.000 0.871 325 M CB 0.644 32.677 32.600 -0.945 0.000 1.481 325 M HN 0.256 nan 8.290 nan 0.000 0.521 326 F N 0.454 120.201 119.950 -0.338 0.000 2.561 326 F HA 0.742 5.270 4.527 0.002 0.000 0.321 326 F C -0.350 175.466 175.800 0.027 0.000 1.065 326 F CA -1.317 56.582 58.000 -0.168 0.000 0.934 326 F CB 2.152 41.080 39.000 -0.120 0.000 1.215 326 F HN -0.249 nan 8.300 nan 0.000 0.471 327 V N 2.394 122.477 119.914 0.283 0.000 2.447 327 V HA 0.153 4.274 4.120 0.002 0.000 0.292 327 V C -0.998 175.241 176.094 0.243 0.000 1.021 327 V CA -0.925 61.520 62.300 0.241 0.000 0.850 327 V CB 1.614 33.528 31.823 0.151 0.000 1.005 327 V HN 0.791 nan 8.190 nan 0.000 0.426 328 W N 7.587 128.910 121.300 0.038 0.000 2.287 328 W HA 0.586 5.247 4.660 0.002 0.000 0.313 328 W C -0.542 175.998 176.519 0.036 0.000 1.267 328 W CA -0.521 56.813 57.345 -0.019 0.000 1.201 328 W CB 1.397 30.823 29.460 -0.057 0.000 1.196 328 W HN 0.534 nan 8.180 nan 0.000 0.536 329 M N 5.396 124.679 119.600 -0.528 0.000 2.535 329 M HA 0.357 4.838 4.480 0.002 0.000 0.314 329 M C -1.291 174.699 176.300 -0.516 0.000 1.153 329 M CA -0.297 54.789 55.300 -0.356 0.000 0.924 329 M CB 2.165 34.599 32.600 -0.277 0.000 1.710 329 M HN 0.415 nan 8.290 nan 0.000 0.451 330 E N 4.517 124.571 120.200 -0.243 0.000 2.246 330 E HA 0.478 4.829 4.350 0.002 0.000 0.266 330 E C -1.544 174.997 176.600 -0.097 0.000 0.880 330 E CA -0.645 55.648 56.400 -0.179 0.000 0.762 330 E CB 2.591 32.245 29.700 -0.077 0.000 1.180 330 E HN 0.659 nan 8.360 nan 0.000 0.416 331 L N 3.279 124.449 121.223 -0.088 0.000 2.375 331 L HA 0.519 4.860 4.340 0.002 0.000 0.268 331 L C -1.996 174.860 176.870 -0.024 0.000 1.058 331 L CA -2.077 52.733 54.840 -0.050 0.000 0.803 331 L CB 0.630 42.661 42.059 -0.046 0.000 1.212 331 L HN 0.297 nan 8.230 nan 0.000 0.451 332 P HA 0.154 nan 4.420 nan 0.000 0.278 332 P C -1.002 176.297 177.300 -0.001 0.000 1.238 332 P CA -0.689 62.408 63.100 -0.005 0.000 0.794 332 P CB 1.040 32.738 31.700 -0.002 0.000 0.955 333 K N 0.987 121.387 120.400 0.000 0.000 2.559 333 K HA 0.250 4.571 4.320 0.002 0.000 0.279 333 K C 1.537 178.141 176.600 0.006 0.000 0.967 333 K CA 2.136 58.425 56.287 0.002 0.000 1.000 333 K CB -0.767 31.734 32.500 0.001 0.000 0.890 333 K HN 0.832 nan 8.250 nan 0.000 0.501 334 G N 1.638 110.444 108.800 0.010 0.000 2.399 334 G HA2 -0.259 3.702 3.960 0.002 0.000 0.216 334 G HA3 -0.259 3.702 3.960 0.002 0.000 0.216 334 G C -0.597 174.315 174.900 0.020 0.000 1.096 334 G CA 0.007 45.115 45.100 0.013 0.000 0.650 334 G HN 0.512 nan 8.290 nan 0.000 0.512 335 L N 3.296 124.530 121.223 0.018 0.000 2.283 335 L HA 0.739 5.080 4.340 0.002 0.000 0.281 335 L C 0.649 177.537 176.870 0.030 0.000 1.033 335 L CA 0.105 54.960 54.840 0.026 0.000 0.848 335 L CB 1.224 43.294 42.059 0.018 0.000 1.226 335 L HN 0.593 nan 8.230 nan 0.000 0.429 336 S N 3.040 118.769 115.700 0.049 0.000 2.654 336 S HA 0.703 5.174 4.470 0.002 0.000 0.283 336 S C 1.209 175.873 174.600 0.107 0.000 1.180 336 S CA -0.259 57.978 58.200 0.061 0.000 1.021 336 S CB 1.658 64.893 63.200 0.058 0.000 1.018 336 S HN 0.729 nan 8.310 nan 0.000 0.532 337 A N 1.219 124.113 122.820 0.123 0.000 1.877 337 A HA -0.090 4.231 4.320 0.002 0.000 0.216 337 A C 2.139 179.909 177.584 0.310 0.000 1.186 337 A CA 1.373 53.553 52.037 0.238 0.000 0.620 337 A CB -0.960 18.172 19.000 0.220 0.000 0.822 337 A HN 0.852 nan 8.150 nan 0.000 0.443 338 E N -0.381 119.926 120.200 0.178 0.000 2.070 338 E HA -0.171 4.180 4.350 0.002 0.000 0.197 338 E C 2.197 178.920 176.600 0.205 0.000 1.004 338 E CA 1.364 57.852 56.400 0.147 0.000 0.805 338 E CB -0.846 28.897 29.700 0.072 0.000 0.744 338 E HN 0.569 nan 8.360 nan 0.000 0.451 339 G N 1.356 110.255 108.800 0.165 0.000 2.421 339 G HA2 -0.220 3.741 3.960 0.002 0.000 0.216 339 G HA3 -0.220 3.741 3.960 0.002 0.000 0.216 339 G C 1.676 176.690 174.900 0.191 0.000 1.171 339 G CA 0.467 45.655 45.100 0.146 0.000 0.775 339 G HN 0.228 nan 8.290 nan 0.000 0.543 340 L N -0.683 120.689 121.223 0.249 0.000 2.042 340 L HA -0.049 4.292 4.340 0.002 0.000 0.210 340 L C 2.568 179.714 176.870 0.459 0.000 1.076 340 L CA 1.503 56.535 54.840 0.320 0.000 0.749 340 L CB -0.353 41.900 42.059 0.322 0.000 0.893 340 L HN 0.264 nan 8.230 nan 0.000 0.432 341 F N 1.059 121.194 119.950 0.309 0.000 2.025 341 F HA -0.303 4.225 4.527 0.001 0.000 0.297 341 F C 2.749 178.518 175.800 -0.053 0.000 1.132 341 F CA 1.871 59.809 58.000 -0.103 0.000 1.191 341 F CB -0.383 38.483 39.000 -0.222 0.000 0.963 341 F HN -0.042 nan 8.300 nan 0.000 0.481 342 R N -0.366 120.206 120.500 0.120 0.000 2.119 342 R HA -0.217 4.124 4.340 0.002 0.000 0.246 342 R C 2.449 178.720 176.300 -0.048 0.000 1.146 342 R CA 1.511 57.614 56.100 0.006 0.000 0.962 342 R CB -0.461 29.889 30.300 0.083 0.000 0.863 342 R HN 0.205 nan 8.270 nan 0.000 0.442 343 R N 0.598 121.110 120.500 0.020 0.000 2.075 343 R HA -0.017 4.324 4.340 0.002 0.000 0.232 343 R C 2.126 178.419 176.300 -0.011 0.000 1.126 343 R CA 1.532 57.643 56.100 0.018 0.000 0.963 343 R CB -0.607 29.729 30.300 0.061 0.000 0.858 343 R HN 0.241 nan 8.270 nan 0.000 0.435 344 A N 1.152 123.976 122.820 0.005 0.000 1.948 344 A HA -0.165 4.156 4.320 0.002 0.000 0.220 344 A C 2.361 179.858 177.584 -0.145 0.000 1.177 344 A CA 1.384 53.422 52.037 0.001 0.000 0.636 344 A CB -0.608 18.464 19.000 0.119 0.000 0.815 344 A HN 0.314 nan 8.150 nan 0.000 0.449 345 L N -0.933 120.119 121.223 -0.286 0.000 2.217 345 L HA -0.110 4.231 4.340 0.002 0.000 0.211 345 L C 2.404 179.193 176.870 -0.135 0.000 1.107 345 L CA 0.890 55.569 54.840 -0.268 0.000 0.783 345 L CB -0.459 41.401 42.059 -0.333 0.000 0.919 345 L HN 0.313 nan 8.230 nan 0.000 0.442 346 E N 0.050 120.196 120.200 -0.091 0.000 2.208 346 E HA -0.113 4.238 4.350 0.002 0.000 0.193 346 E C 1.489 178.068 176.600 -0.036 0.000 0.988 346 E CA 0.742 57.111 56.400 -0.050 0.000 0.828 346 E CB 0.083 29.765 29.700 -0.029 0.000 0.763 346 E HN 0.385 nan 8.360 nan 0.000 0.478 347 E N 0.674 120.856 120.200 -0.030 0.000 2.437 347 E HA 0.040 4.391 4.350 0.002 0.000 0.189 347 E C -0.536 176.051 176.600 -0.022 0.000 1.054 347 E CA -0.279 56.113 56.400 -0.012 0.000 0.874 347 E CB -0.399 29.308 29.700 0.011 0.000 1.011 347 E HN 0.155 nan 8.360 nan 0.000 0.474 348 N N 0.030 118.700 118.700 -0.049 0.000 2.714 348 N HA -0.183 4.558 4.740 0.002 0.000 0.253 348 N C -1.009 174.461 175.510 -0.066 0.000 1.024 348 N CA 0.659 53.672 53.050 -0.063 0.000 0.726 348 N CB -0.946 37.511 38.487 -0.049 0.000 0.908 348 N HN 0.092 nan 8.380 nan 0.000 0.542 349 V N -1.212 118.661 119.914 -0.067 0.000 3.087 349 V HA 0.926 5.047 4.120 0.002 0.000 0.306 349 V C -1.293 174.770 176.094 -0.051 0.000 1.187 349 V CA -0.008 62.268 62.300 -0.039 0.000 0.999 349 V CB 2.203 34.070 31.823 0.073 0.000 1.049 349 V HN 0.372 nan 8.190 nan 0.000 0.431 350 A N 4.376 127.196 122.820 0.000 0.000 2.515 350 A HA 1.077 5.398 4.320 0.002 0.000 0.296 350 A C -1.245 176.522 177.584 0.306 0.000 1.094 350 A CA -0.362 51.657 52.037 -0.030 0.000 0.718 350 A CB 1.807 20.758 19.000 -0.082 0.000 1.307 350 A HN 1.865 nan 8.150 nan 0.000 0.408 351 F N -1.600 118.560 119.950 0.349 0.000 2.923 351 F HA 0.764 5.293 4.527 0.002 0.000 0.323 351 F C -1.211 174.826 175.800 0.395 0.000 1.189 351 F CA -1.319 56.901 58.000 0.367 0.000 0.930 351 F CB 1.121 40.299 39.000 0.297 0.000 1.414 351 F HN 0.320 nan 8.300 nan 0.000 0.496 352 V N 1.337 121.592 119.914 0.570 0.000 2.357 352 V HA 0.458 4.579 4.120 0.002 0.000 0.284 352 V C -2.471 173.893 176.094 0.450 0.000 1.018 352 V CA -2.003 60.527 62.300 0.383 0.000 0.841 352 V CB 1.049 33.133 31.823 0.437 0.000 0.991 352 V HN 0.516 nan 8.190 nan 0.000 0.437 353 P HA 0.099 nan 4.420 nan 0.000 0.268 353 P C 1.045 178.583 177.300 0.397 0.000 1.208 353 P CA 0.273 63.539 63.100 0.277 0.000 0.777 353 P CB 0.714 32.454 31.700 0.067 0.000 0.875 354 G N 1.548 110.597 108.800 0.415 0.000 2.920 354 G HA2 -0.028 3.933 3.960 0.002 0.000 0.208 354 G HA3 -0.028 3.933 3.960 0.002 0.000 0.208 354 G C 1.556 176.927 174.900 0.786 0.000 1.159 354 G CA 0.535 46.101 45.100 0.777 0.000 0.784 354 G HN 0.615 nan 8.290 nan 0.000 0.535 355 G N 2.290 111.361 108.800 0.451 0.000 2.480 355 G HA2 -0.168 3.793 3.960 0.002 0.000 0.216 355 G HA3 -0.168 3.793 3.960 0.002 0.000 0.216 355 G C 0.370 175.416 174.900 0.242 0.000 1.200 355 G CA 1.143 46.453 45.100 0.350 0.000 0.782 355 G HN 0.431 nan 8.290 nan 0.000 0.554 356 P HA -0.022 nan 4.420 nan 0.000 0.236 356 P C 0.538 177.609 177.300 -0.382 0.000 1.172 356 P CA 0.626 63.585 63.100 -0.236 0.000 0.759 356 P CB -0.204 31.262 31.700 -0.390 0.000 0.843 357 F N -1.766 118.162 119.950 -0.037 0.000 2.776 357 F HA 0.234 4.762 4.527 0.002 0.000 0.300 357 F C 0.969 176.492 175.800 -0.462 0.000 1.116 357 F CA -0.018 57.820 58.000 -0.270 0.000 1.375 357 F CB -0.336 38.456 39.000 -0.346 0.000 1.109 357 F HN -0.263 nan 8.300 nan 0.000 0.585 358 F N -0.152 119.845 119.950 0.078 0.000 2.334 358 F HA 0.466 4.994 4.527 0.002 0.000 0.367 358 F C 1.261 177.016 175.800 -0.077 0.000 1.115 358 F CA -0.950 57.059 58.000 0.015 0.000 1.116 358 F CB 0.865 39.903 39.000 0.063 0.000 1.230 358 F HN -0.062 nan 8.300 nan 0.000 0.484 359 A N 3.127 125.902 122.820 -0.075 0.000 1.997 359 A HA -0.269 4.052 4.320 0.002 0.000 0.221 359 A C 1.546 179.110 177.584 -0.032 0.000 1.172 359 A CA 2.126 53.986 52.037 -0.294 0.000 0.645 359 A CB -0.586 17.955 19.000 -0.765 0.000 0.813 359 A HN 0.867 nan 8.150 nan 0.000 0.454 360 N N -1.517 117.240 118.700 0.095 0.000 2.214 360 N HA 0.416 5.157 4.740 0.002 0.000 0.214 360 N C 0.327 175.901 175.510 0.108 0.000 1.132 360 N CA 0.286 53.415 53.050 0.132 0.000 0.856 360 N CB 0.727 39.296 38.487 0.137 0.000 1.020 360 N HN 0.683 nan 8.380 nan 0.000 0.509 361 G N -0.285 108.596 108.800 0.135 0.000 2.699 361 G HA2 0.310 4.271 3.960 0.002 0.000 0.686 361 G HA3 0.310 4.271 3.960 0.002 0.000 0.686 361 G C -0.075 174.819 174.900 -0.010 0.000 1.301 361 G CA -0.774 44.380 45.100 0.090 0.000 0.816 361 G HN 0.593 nan 8.290 nan 0.000 0.595 362 G N -1.477 107.268 108.800 -0.092 0.000 2.434 362 G HA2 0.569 4.530 3.960 0.002 0.000 0.671 362 G HA3 0.569 4.530 3.960 0.002 0.000 0.671 362 G C 1.375 175.991 174.900 -0.474 0.000 1.280 362 G CA 1.176 46.076 45.100 -0.333 0.000 0.975 362 G HN 3.148 nan 8.290 nan 0.000 0.510 363 G N -0.880 107.558 108.800 -0.604 0.000 2.132 363 G HA2 -0.057 3.904 3.960 0.002 0.000 0.234 363 G HA3 -0.057 3.904 3.960 0.002 0.000 0.234 363 G C 0.975 175.916 174.900 0.068 0.000 0.989 363 G CA 1.222 46.200 45.100 -0.203 0.000 0.676 363 G HN 1.901 nan 8.290 nan 0.000 0.522 364 E N 0.347 120.543 120.200 -0.005 0.000 2.463 364 E HA -0.080 4.271 4.350 0.002 0.000 0.201 364 E C 1.279 177.903 176.600 0.039 0.000 1.045 364 E CA 0.896 57.318 56.400 0.036 0.000 0.872 364 E CB -0.216 29.492 29.700 0.013 0.000 0.797 364 E HN 0.593 nan 8.360 nan 0.000 0.538 365 N N 1.095 119.807 118.700 0.020 0.000 2.205 365 N HA 0.015 4.756 4.740 0.002 0.000 0.201 365 N C 0.353 175.838 175.510 -0.042 0.000 1.128 365 N CA 0.537 53.587 53.050 0.000 0.000 0.867 365 N CB 0.928 39.411 38.487 -0.007 0.000 0.996 365 N HN 0.306 nan 8.380 nan 0.000 0.503 366 T N -0.437 114.101 114.554 -0.028 0.000 2.938 366 T HA 0.723 5.074 4.350 0.002 0.000 0.285 366 T C -0.289 174.235 174.700 -0.293 0.000 1.028 366 T CA -0.658 61.289 62.100 -0.255 0.000 1.005 366 T CB 2.083 70.827 68.868 -0.207 0.000 1.157 366 T HN -0.045 nan 8.240 nan 0.000 0.550 367 L N -1.922 118.892 121.223 -0.682 0.000 2.775 367 L HA 0.681 5.022 4.340 0.002 0.000 0.263 367 L C -1.379 175.186 176.870 -0.508 0.000 1.017 367 L CA -1.039 53.592 54.840 -0.348 0.000 0.891 367 L CB 1.521 43.488 42.059 -0.153 0.000 1.482 367 L HN 1.032 nan 8.230 nan 0.000 0.410 368 R N 1.041 121.536 120.500 -0.009 0.000 2.637 368 R HA 0.906 5.247 4.340 0.002 0.000 0.291 368 R C -1.613 174.820 176.300 0.222 0.000 0.963 368 R CA -0.729 55.443 56.100 0.119 0.000 0.901 368 R CB 1.919 32.300 30.300 0.134 0.000 1.160 368 R HN 0.815 nan 8.270 nan 0.000 0.457 369 L N 1.607 122.952 121.223 0.203 0.000 2.386 369 L HA 0.479 4.820 4.340 0.002 0.000 0.271 369 L C -0.511 176.489 176.870 0.217 0.000 0.993 369 L CA -0.665 54.285 54.840 0.182 0.000 0.819 369 L CB 2.231 44.237 42.059 -0.087 0.000 1.294 369 L HN 0.567 nan 8.230 nan 0.000 0.414 370 S N 0.413 116.252 115.700 0.231 0.000 2.548 370 S HA 0.585 5.056 4.470 0.002 0.000 0.286 370 S C -0.462 174.193 174.600 0.092 0.000 1.098 370 S CA -0.418 57.760 58.200 -0.036 0.000 0.930 370 S CB 1.200 64.407 63.200 0.010 0.000 1.070 370 S HN 0.545 nan 8.310 nan 0.000 0.480 371 Y N 1.500 121.893 120.300 0.155 0.000 2.527 371 Y HA 0.592 5.143 4.550 0.002 0.000 0.247 371 Y C 1.617 177.597 175.900 0.133 0.000 1.138 371 Y CA 0.066 58.280 58.100 0.189 0.000 1.228 371 Y CB -0.880 37.640 38.460 0.099 0.000 1.252 371 Y HN 0.579 nan 8.280 nan 0.000 0.531 372 A N 0.897 123.728 122.820 0.018 0.000 1.958 372 A HA -0.193 4.128 4.320 0.002 0.000 0.221 372 A C 2.051 179.706 177.584 0.119 0.000 1.178 372 A CA 2.715 54.885 52.037 0.222 0.000 0.642 372 A CB -1.113 17.990 19.000 0.171 0.000 0.816 372 A HN 0.499 nan 8.150 nan 0.000 0.453 373 T N -0.179 114.434 114.554 0.098 0.000 2.815 373 T HA 0.214 4.565 4.350 0.002 0.000 0.244 373 T C 0.978 175.696 174.700 0.029 0.000 1.040 373 T CA 0.387 62.515 62.100 0.048 0.000 1.176 373 T CB -0.384 68.520 68.868 0.059 0.000 0.880 373 T HN 0.327 nan 8.240 nan 0.000 0.414 374 L N 1.954 123.214 121.223 0.062 0.000 2.477 374 L HA 0.030 4.371 4.340 0.002 0.000 0.289 374 L C 0.408 177.297 176.870 0.031 0.000 1.279 374 L CA -0.053 54.811 54.840 0.039 0.000 0.825 374 L CB -0.030 42.060 42.059 0.052 0.000 1.085 374 L HN 0.297 nan 8.230 nan 0.000 0.548 375 D N -0.580 119.826 120.400 0.012 0.000 2.387 375 D HA 0.183 4.824 4.640 0.002 0.000 0.251 375 D C 1.101 177.410 176.300 0.015 0.000 1.141 375 D CA -0.444 53.554 54.000 -0.003 0.000 0.987 375 D CB 0.682 41.474 40.800 -0.013 0.000 1.116 375 D HN 0.296 nan 8.370 nan 0.000 0.491 376 R N 0.305 120.801 120.500 -0.006 0.000 2.081 376 R HA -0.118 4.223 4.340 0.002 0.000 0.235 376 R C 1.653 177.965 176.300 0.019 0.000 1.131 376 R CA 1.099 57.197 56.100 -0.003 0.000 0.960 376 R CB 0.012 30.298 30.300 -0.024 0.000 0.856 376 R HN 0.503 nan 8.270 nan 0.000 0.436 377 E N -0.306 119.901 120.200 0.011 0.000 2.274 377 E HA -0.072 4.279 4.350 0.002 0.000 0.194 377 E C 1.946 178.561 176.600 0.026 0.000 0.996 377 E CA 1.210 57.620 56.400 0.015 0.000 0.840 377 E CB -0.334 29.368 29.700 0.003 0.000 0.772 377 E HN 0.440 nan 8.360 nan 0.000 0.491 378 G N 1.856 110.671 108.800 0.025 0.000 2.403 378 G HA2 -0.127 3.834 3.960 0.002 0.000 0.216 378 G HA3 -0.127 3.834 3.960 0.002 0.000 0.216 378 G C 1.744 176.685 174.900 0.069 0.000 1.154 378 G CA 0.417 45.526 45.100 0.016 0.000 0.784 378 G HN 0.200 nan 8.290 nan 0.000 0.538 379 I N 1.252 121.912 120.570 0.150 0.000 2.394 379 I HA -0.095 4.076 4.170 0.002 0.000 0.251 379 I C 3.177 179.451 176.117 0.262 0.000 1.136 379 I CA 0.794 62.289 61.300 0.325 0.000 1.425 379 I CB -0.085 38.056 38.000 0.234 0.000 1.079 379 I HN 0.237 nan 8.210 nan 0.000 0.425 380 A N 0.559 123.458 122.820 0.132 0.000 1.872 380 A HA -0.207 4.114 4.320 0.002 0.000 0.214 380 A C 2.245 179.885 177.584 0.094 0.000 1.187 380 A CA 1.684 53.777 52.037 0.092 0.000 0.614 380 A CB -0.426 18.605 19.000 0.052 0.000 0.826 380 A HN 0.348 nan 8.150 nan 0.000 0.442 381 E N 0.375 120.620 120.200 0.075 0.000 2.106 381 E HA -0.025 4.326 4.350 0.002 0.000 0.192 381 E C 1.951 178.597 176.600 0.078 0.000 0.984 381 E CA 1.525 57.956 56.400 0.052 0.000 0.806 381 E CB -0.885 28.827 29.700 0.019 0.000 0.750 381 E HN 0.373 nan 8.360 nan 0.000 0.458 382 G N 0.155 109.022 108.800 0.111 0.000 2.421 382 G HA2 -0.222 3.739 3.960 0.002 0.000 0.216 382 G HA3 -0.222 3.739 3.960 0.002 0.000 0.216 382 G C 1.716 176.855 174.900 0.398 0.000 1.171 382 G CA 1.122 46.309 45.100 0.144 0.000 0.775 382 G HN 0.266 nan 8.290 nan 0.000 0.543 383 V N 0.461 120.604 119.914 0.382 0.000 2.515 383 V HA -0.092 4.029 4.120 0.002 0.000 0.250 383 V C 2.857 179.008 176.094 0.094 0.000 1.058 383 V CA 1.561 63.969 62.300 0.180 0.000 1.064 383 V CB -0.414 31.431 31.823 0.037 0.000 0.675 383 V HN 0.297 nan 8.190 nan 0.000 0.461 384 R N -0.211 120.341 120.500 0.087 0.000 2.115 384 R HA -0.090 4.251 4.340 0.002 0.000 0.230 384 R C 2.552 178.884 176.300 0.053 0.000 1.111 384 R CA 1.229 57.360 56.100 0.052 0.000 0.976 384 R CB -0.207 30.118 30.300 0.042 0.000 0.870 384 R HN 0.520 nan 8.270 nan 0.000 0.445 385 R N 0.454 120.998 120.500 0.073 0.000 2.057 385 R HA -0.038 4.304 4.340 0.002 0.000 0.229 385 R C 2.424 178.773 176.300 0.080 0.000 1.136 385 R CA 0.882 57.021 56.100 0.065 0.000 0.952 385 R CB -0.536 29.800 30.300 0.060 0.000 0.848 385 R HN 0.175 nan 8.270 nan 0.000 0.430 386 L N 0.714 122.011 121.223 0.123 0.000 2.043 386 L HA -0.184 4.157 4.340 0.002 0.000 0.212 386 L C 2.261 179.157 176.870 0.043 0.000 1.075 386 L CA 1.884 56.791 54.840 0.111 0.000 0.752 386 L CB -0.787 41.336 42.059 0.107 0.000 0.891 386 L HN 0.404 nan 8.230 nan 0.000 0.432 387 G N -0.822 107.993 108.800 0.025 0.000 2.442 387 G HA2 -0.276 3.685 3.960 0.002 0.000 0.219 387 G HA3 -0.276 3.685 3.960 0.002 0.000 0.219 387 G C 1.660 176.571 174.900 0.019 0.000 1.141 387 G CA 0.584 45.689 45.100 0.008 0.000 0.763 387 G HN 0.359 nan 8.290 nan 0.000 0.554 388 R N 0.116 120.633 120.500 0.028 0.000 2.148 388 R HA 0.176 4.517 4.340 0.002 0.000 0.223 388 R C 2.965 179.283 176.300 0.030 0.000 1.088 388 R CA 0.827 56.942 56.100 0.026 0.000 0.985 388 R CB -0.154 30.161 30.300 0.025 0.000 0.880 388 R HN 0.358 nan 8.270 nan 0.000 0.451 389 A N 1.136 123.981 122.820 0.042 0.000 1.872 389 A HA -0.096 4.225 4.320 0.002 0.000 0.214 389 A C 2.094 179.705 177.584 0.045 0.000 1.187 389 A CA 0.918 52.987 52.037 0.054 0.000 0.614 389 A CB -0.496 18.558 19.000 0.091 0.000 0.826 389 A HN 0.146 nan 8.150 nan 0.000 0.442 390 L N -0.532 120.709 121.223 0.031 0.000 1.989 390 L HA -0.248 4.093 4.340 0.002 0.000 0.211 390 L C 2.649 179.530 176.870 0.018 0.000 1.071 390 L CA 2.016 56.865 54.840 0.015 0.000 0.749 390 L CB -0.471 41.584 42.059 -0.008 0.000 0.890 390 L HN 0.364 nan 8.230 nan 0.000 0.431 391 K N -0.356 120.054 120.400 0.018 0.000 2.103 391 K HA -0.066 4.255 4.320 0.002 0.000 0.204 391 K C 2.126 178.737 176.600 0.019 0.000 1.052 391 K CA 1.123 57.420 56.287 0.017 0.000 0.945 391 K CB -0.393 32.117 32.500 0.016 0.000 0.722 391 K HN 0.390 nan 8.250 nan 0.000 0.443 392 G N 1.414 110.227 108.800 0.021 0.000 2.408 392 G HA2 -0.219 3.742 3.960 0.002 0.000 0.217 392 G HA3 -0.219 3.742 3.960 0.002 0.000 0.217 392 G C 1.416 176.330 174.900 0.023 0.000 1.150 392 G CA 0.358 45.471 45.100 0.021 0.000 0.776 392 G HN 0.103 nan 8.290 nan 0.000 0.542 393 L N 0.274 121.514 121.223 0.029 0.000 2.131 393 L HA 0.234 4.575 4.340 0.002 0.000 0.206 393 L C 2.400 179.286 176.870 0.027 0.000 1.087 393 L CA 0.765 55.624 54.840 0.033 0.000 0.767 393 L CB -0.261 41.825 42.059 0.045 0.000 0.917 393 L HN 0.023 nan 8.230 nan 0.000 0.441 394 L N -0.370 120.867 121.223 0.023 0.000 2.261 394 L HA -0.138 4.204 4.340 0.002 0.000 0.216 394 L C 2.417 179.297 176.870 0.016 0.000 1.114 394 L CA 1.710 56.561 54.840 0.018 0.000 0.777 394 L CB -1.635 40.433 42.059 0.016 0.000 0.910 394 L HN 0.420 nan 8.230 nan 0.000 0.440 395 A N -1.340 121.490 122.820 0.017 0.000 2.081 395 A HA 0.022 4.343 4.320 0.002 0.000 0.214 395 A C 2.223 179.816 177.584 0.015 0.000 1.158 395 A CA 0.437 52.483 52.037 0.014 0.000 0.724 395 A CB -0.012 18.996 19.000 0.013 0.000 0.826 395 A HN 0.377 nan 8.150 nan 0.000 0.463 396 L N -1.281 119.953 121.223 0.017 0.000 2.253 396 L HA 0.115 4.456 4.340 0.002 0.000 0.205 396 L C 1.432 178.313 176.870 0.018 0.000 1.078 396 L CA -0.009 54.842 54.840 0.017 0.000 0.805 396 L CB -0.292 41.779 42.059 0.020 0.000 0.963 396 L HN 0.207 nan 8.230 nan 0.000 0.459 397 V N 0.000 119.926 119.914 0.020 0.000 2.409 397 V HA 0.000 4.121 4.120 0.002 0.000 0.244 397 V CA 0.000 62.312 62.300 0.020 0.000 1.235 397 V CB 0.000 31.837 31.823 0.023 0.000 1.184 397 V HN 0.000 nan 8.190 nan 0.000 0.556