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 2y02_1_B DATA FIRST_RESID 33 DATA SEQUENCE AELLSQQWEA GMSLLMALVV LLIVAGNVLV IAAIGSTQRL QTLTNLFITS DATA SEQUENCE LACADLVVGL LVVPFGATLV VRGTWLWGSF LcELWTSLDV LCVTASIETL DATA SEQUENCE CVIAIDRYLA ITSPFRYQSL MTRARAKVII CTVWAISALV SFLPIMMHWW DATA SEQUENCE RDEDPQALKc YQDPGccDFV TNRAYAIASS IISFYIPLLI MIFVALRVYR DATA SEQUENCE EAKEQIRKID RXXXXXXXXX XXXXXXXXXX XXXXXXXXXA SKRKTSRVML DATA SEQUENCE MREHKALKTL GIIMGVFTLC WLPFFLVNIV NVFNRDLVPD WLFVAFNWLG DATA SEQUENCE YANSAMNPII YCRSPDFRKA FKRLLA 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 33 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.578 177.584 -0.010 0.000 1.274 33 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 33 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 34 E N 0.465 120.663 120.200 -0.004 0.000 2.274 34 E HA 0.036 4.375 4.350 -0.020 0.000 0.194 34 E C 1.679 178.286 176.600 0.012 0.000 0.996 34 E CA 0.976 57.378 56.400 0.003 0.000 0.840 34 E CB -0.116 29.585 29.700 0.002 0.000 0.772 34 E HN 0.613 nan 8.360 nan 0.000 0.491 35 L N 0.098 121.327 121.223 0.009 0.000 2.131 35 L HA -0.130 4.198 4.340 -0.020 0.000 0.206 35 L C 2.265 179.152 176.870 0.028 0.000 1.087 35 L CA 0.261 55.110 54.840 0.015 0.000 0.767 35 L CB -0.151 41.913 42.059 0.008 0.000 0.917 35 L HN 0.179 nan 8.230 nan 0.000 0.441 36 L N -0.465 120.770 121.223 0.021 0.000 2.141 36 L HA -0.151 4.177 4.340 -0.020 0.000 0.209 36 L C 2.762 179.672 176.870 0.067 0.000 1.094 36 L CA 1.857 56.715 54.840 0.031 0.000 0.763 36 L CB -0.541 41.515 42.059 -0.004 0.000 0.908 36 L HN 0.284 nan 8.230 nan 0.000 0.437 37 S N -1.572 114.159 115.700 0.052 0.000 2.371 37 S HA -0.200 4.258 4.470 -0.020 0.000 0.224 37 S C 1.912 176.599 174.600 0.144 0.000 1.029 37 S CA 1.073 59.327 58.200 0.090 0.000 0.978 37 S CB -0.220 63.003 63.200 0.038 0.000 0.833 37 S HN 0.599 nan 8.310 nan 0.000 0.466 38 Q N 0.362 120.215 119.800 0.087 0.000 2.119 38 Q HA -0.144 4.184 4.340 -0.020 0.000 0.201 38 Q C 2.451 178.492 176.000 0.069 0.000 0.972 38 Q CA 1.597 57.441 55.803 0.068 0.000 0.847 38 Q CB -0.213 28.547 28.738 0.036 0.000 0.903 38 Q HN 0.750 nan 8.270 nan 0.000 0.433 39 Q N -0.360 119.489 119.800 0.083 0.000 2.046 39 Q HA -0.209 4.119 4.340 -0.020 0.000 0.200 39 Q C 1.741 177.792 176.000 0.085 0.000 0.975 39 Q CA 1.367 57.210 55.803 0.066 0.000 0.836 39 Q CB -0.197 28.581 28.738 0.067 0.000 0.896 39 Q HN 0.469 nan 8.270 nan 0.000 0.428 40 W N 1.585 122.865 121.300 -0.033 0.000 2.381 40 W HA -0.114 4.534 4.660 -0.020 0.000 0.301 40 W C 1.816 178.313 176.519 -0.037 0.000 1.205 40 W CA 1.632 58.954 57.345 -0.038 0.000 1.285 40 W CB 0.081 29.518 29.460 -0.037 0.000 1.133 40 W HN 0.230 nan 8.180 nan 0.000 0.521 41 E N -0.246 120.046 120.200 0.153 0.000 2.051 41 E HA -0.226 4.112 4.350 -0.020 0.000 0.192 41 E C 2.267 178.788 176.600 -0.131 0.000 0.991 41 E CA 1.430 57.831 56.400 0.002 0.000 0.799 41 E CB -0.528 29.230 29.700 0.098 0.000 0.748 41 E HN 0.314 nan 8.360 nan 0.000 0.449 42 A N 1.002 123.773 122.820 -0.082 0.000 1.898 42 A HA -0.054 4.255 4.320 -0.020 0.000 0.216 42 A C 2.419 179.917 177.584 -0.144 0.000 1.181 42 A CA 1.594 53.576 52.037 -0.092 0.000 0.620 42 A CB -0.935 18.035 19.000 -0.051 0.000 0.819 42 A HN 0.353 nan 8.150 nan 0.000 0.442 43 G N -1.056 107.637 108.800 -0.178 0.000 2.422 43 G HA2 -0.151 3.797 3.960 -0.020 0.000 0.218 43 G HA3 -0.151 3.797 3.960 -0.020 0.000 0.218 43 G C 1.479 176.197 174.900 -0.303 0.000 1.140 43 G CA 1.463 46.438 45.100 -0.208 0.000 0.775 43 G HN 0.398 nan 8.290 nan 0.000 0.545 44 M N 1.069 120.383 119.600 -0.475 0.000 2.193 44 M HA 0.149 4.618 4.480 -0.020 0.000 0.265 44 M C 2.680 178.766 176.300 -0.358 0.000 1.071 44 M CA 1.096 56.053 55.300 -0.573 0.000 1.140 44 M CB -0.295 31.657 32.600 -1.081 0.000 1.369 44 M HN 0.123 nan 8.290 nan 0.000 0.423 45 S N 0.420 115.957 115.700 -0.272 0.000 2.387 45 S HA -0.161 4.297 4.470 -0.020 0.000 0.230 45 S C 1.788 176.306 174.600 -0.137 0.000 1.035 45 S CA 1.538 59.640 58.200 -0.164 0.000 1.014 45 S CB -0.606 62.526 63.200 -0.115 0.000 0.836 45 S HN 0.496 nan 8.310 nan 0.000 0.466 46 L N 0.999 122.135 121.223 -0.145 0.000 2.044 46 L HA 0.046 4.374 4.340 -0.020 0.000 0.205 46 L C 2.105 178.907 176.870 -0.113 0.000 1.075 46 L CA 1.116 55.889 54.840 -0.112 0.000 0.747 46 L CB -0.493 41.504 42.059 -0.103 0.000 0.903 46 L HN 0.252 nan 8.230 nan 0.000 0.435 47 L N -0.843 120.290 121.223 -0.150 0.000 1.989 47 L HA -0.243 4.085 4.340 -0.020 0.000 0.211 47 L C 2.385 179.180 176.870 -0.125 0.000 1.071 47 L CA 1.990 56.743 54.840 -0.145 0.000 0.749 47 L CB -0.658 41.286 42.059 -0.192 0.000 0.890 47 L HN 0.251 nan 8.230 nan 0.000 0.431 48 M N -0.293 119.218 119.600 -0.149 0.000 2.082 48 M HA -0.207 4.261 4.480 -0.020 0.000 0.258 48 M C 2.429 178.707 176.300 -0.037 0.000 1.069 48 M CA 2.066 57.311 55.300 -0.092 0.000 1.102 48 M CB -1.962 30.582 32.600 -0.092 0.000 1.336 48 M HN 0.475 nan 8.290 nan 0.000 0.404 49 A N -0.216 122.572 122.820 -0.053 0.000 1.969 49 A HA -0.124 4.184 4.320 -0.020 0.000 0.218 49 A C 2.209 179.775 177.584 -0.030 0.000 1.169 49 A CA 1.208 53.222 52.037 -0.039 0.000 0.635 49 A CB -0.800 18.171 19.000 -0.048 0.000 0.810 49 A HN 0.420 nan 8.150 nan 0.000 0.445 50 L N 0.368 121.568 121.223 -0.039 0.000 1.994 50 L HA -0.130 4.198 4.340 -0.020 0.000 0.208 50 L C 2.408 179.270 176.870 -0.014 0.000 1.071 50 L CA 2.270 57.091 54.840 -0.031 0.000 0.745 50 L CB -0.850 41.184 42.059 -0.042 0.000 0.892 50 L HN 0.190 nan 8.230 nan 0.000 0.431 51 V N -1.135 118.777 119.914 -0.002 0.000 2.287 51 V HA -0.305 3.803 4.120 -0.020 0.000 0.248 51 V C 2.566 178.687 176.094 0.044 0.000 1.053 51 V CA 1.776 64.097 62.300 0.035 0.000 1.027 51 V CB -1.060 30.812 31.823 0.082 0.000 0.646 51 V HN 0.361 nan 8.190 nan 0.000 0.447 52 V N -0.554 119.383 119.914 0.038 0.000 2.343 52 V HA -0.253 3.855 4.120 -0.020 0.000 0.247 52 V C 2.389 178.490 176.094 0.012 0.000 1.051 52 V CA 2.125 64.443 62.300 0.030 0.000 1.036 52 V CB -0.548 31.283 31.823 0.013 0.000 0.654 52 V HN 0.432 nan 8.190 nan 0.000 0.451 53 L N -0.921 120.302 121.223 -0.001 0.000 2.017 53 L HA -0.143 4.185 4.340 -0.020 0.000 0.208 53 L C 2.198 179.063 176.870 -0.010 0.000 1.073 53 L CA 1.723 56.558 54.840 -0.009 0.000 0.745 53 L CB -0.542 41.507 42.059 -0.017 0.000 0.894 53 L HN 0.267 nan 8.230 nan 0.000 0.432 54 L N -0.681 120.537 121.223 -0.008 0.000 2.017 54 L HA -0.198 4.130 4.340 -0.020 0.000 0.208 54 L C 2.291 179.157 176.870 -0.006 0.000 1.073 54 L CA 1.796 56.628 54.840 -0.014 0.000 0.745 54 L CB -0.456 41.596 42.059 -0.011 0.000 0.894 54 L HN 0.231 nan 8.230 nan 0.000 0.432 55 I N -1.882 118.697 120.570 0.015 0.000 2.179 55 I HA -0.281 3.877 4.170 -0.020 0.000 0.242 55 I C 2.265 178.398 176.117 0.026 0.000 1.088 55 I CA 1.196 62.514 61.300 0.029 0.000 1.357 55 I CB -0.405 37.625 38.000 0.050 0.000 1.051 55 I HN 0.060 nan 8.210 nan 0.000 0.409 56 V N 0.786 120.711 119.914 0.019 0.000 2.323 56 V HA -0.189 3.919 4.120 -0.020 0.000 0.244 56 V C 2.671 178.773 176.094 0.012 0.000 1.041 56 V CA 1.789 64.101 62.300 0.020 0.000 1.025 56 V CB -0.904 30.926 31.823 0.012 0.000 0.656 56 V HN 0.455 nan 8.190 nan 0.000 0.451 57 A N 0.760 123.577 122.820 -0.006 0.000 1.858 57 A HA -0.104 4.204 4.320 -0.020 0.000 0.216 57 A C 2.443 180.002 177.584 -0.043 0.000 1.190 57 A CA 2.056 54.079 52.037 -0.023 0.000 0.617 57 A CB -1.420 17.558 19.000 -0.037 0.000 0.827 57 A HN 0.510 nan 8.150 nan 0.000 0.443 58 G N -0.269 108.494 108.800 -0.060 0.000 2.469 58 G HA2 -0.295 3.653 3.960 -0.020 0.000 0.219 58 G HA3 -0.295 3.653 3.960 -0.020 0.000 0.219 58 G C 1.461 176.353 174.900 -0.015 0.000 1.150 58 G CA 1.134 46.175 45.100 -0.098 0.000 0.763 58 G HN 0.567 nan 8.290 nan 0.000 0.561 59 N N 0.048 118.775 118.700 0.045 0.000 2.333 59 N HA -0.033 4.696 4.740 -0.020 0.000 0.178 59 N C 2.327 177.913 175.510 0.127 0.000 1.018 59 N CA 0.716 53.834 53.050 0.113 0.000 0.882 59 N CB 0.078 38.633 38.487 0.114 0.000 0.984 59 N HN 0.184 nan 8.380 nan 0.000 0.434 60 V N 2.134 122.099 119.914 0.085 0.000 2.343 60 V HA -0.170 3.938 4.120 -0.020 0.000 0.247 60 V C 2.460 178.628 176.094 0.123 0.000 1.051 60 V CA 1.130 63.482 62.300 0.087 0.000 1.036 60 V CB -0.461 31.394 31.823 0.053 0.000 0.654 60 V HN 0.209 nan 8.190 nan 0.000 0.451 61 L N -0.527 120.763 121.223 0.111 0.000 2.012 61 L HA -0.192 4.136 4.340 -0.020 0.000 0.210 61 L C 2.487 179.628 176.870 0.452 0.000 1.073 61 L CA 1.375 56.335 54.840 0.200 0.000 0.748 61 L CB -0.686 41.341 42.059 -0.053 0.000 0.891 61 L HN 0.195 nan 8.230 nan 0.000 0.431 62 V N 0.072 120.265 119.914 0.465 0.000 2.295 62 V HA -0.307 3.801 4.120 -0.020 0.000 0.246 62 V C 2.277 178.593 176.094 0.369 0.000 1.049 62 V CA 1.989 64.636 62.300 0.579 0.000 1.024 62 V CB -0.344 31.793 31.823 0.524 0.000 0.648 62 V HN 0.312 nan 8.190 nan 0.000 0.447 63 I N 0.351 121.071 120.570 0.250 0.000 2.202 63 I HA -0.205 3.953 4.170 -0.020 0.000 0.242 63 I C 2.643 178.836 176.117 0.127 0.000 1.091 63 I CA 1.523 62.921 61.300 0.164 0.000 1.368 63 I CB -0.587 37.486 38.000 0.123 0.000 1.058 63 I HN 0.262 nan 8.210 nan 0.000 0.410 64 A N 0.612 123.513 122.820 0.135 0.000 1.933 64 A HA -0.132 4.176 4.320 -0.020 0.000 0.218 64 A C 2.508 180.143 177.584 0.084 0.000 1.175 64 A CA 1.788 53.885 52.037 0.099 0.000 0.628 64 A CB -0.822 18.240 19.000 0.102 0.000 0.814 64 A HN 0.427 nan 8.150 nan 0.000 0.444 65 A N 0.140 123.039 122.820 0.131 0.000 1.845 65 A HA -0.092 4.216 4.320 -0.020 0.000 0.215 65 A C 2.092 179.614 177.584 -0.104 0.000 1.195 65 A CA 1.547 53.594 52.037 0.016 0.000 0.616 65 A CB -0.721 18.286 19.000 0.011 0.000 0.832 65 A HN 0.457 nan 8.150 nan 0.000 0.443 66 I N 0.024 120.549 120.570 -0.075 0.000 2.248 66 I HA -0.252 3.906 4.170 -0.020 0.000 0.248 66 I C 2.489 178.564 176.117 -0.070 0.000 1.107 66 I CA 1.298 62.532 61.300 -0.111 0.000 1.373 66 I CB -0.386 37.607 38.000 -0.012 0.000 1.055 66 I HN 0.414 nan 8.210 nan 0.000 0.418 67 G N -0.861 107.926 108.800 -0.021 0.000 2.679 67 G HA2 -0.145 3.803 3.960 -0.020 0.000 0.212 67 G HA3 -0.145 3.803 3.960 -0.020 0.000 0.212 67 G C 1.473 176.355 174.900 -0.029 0.000 1.137 67 G CA 1.011 46.101 45.100 -0.017 0.000 0.787 67 G HN 0.528 nan 8.290 nan 0.000 0.534 68 S N -1.984 113.690 115.700 -0.043 0.000 2.648 68 S HA 0.157 4.615 4.470 -0.020 0.000 0.270 68 S C 0.528 175.090 174.600 -0.063 0.000 1.080 68 S CA -0.005 58.170 58.200 -0.040 0.000 1.159 68 S CB 0.582 63.771 63.200 -0.019 0.000 1.091 68 S HN -0.037 nan 8.310 nan 0.000 0.605 69 T N 3.575 118.068 114.554 -0.101 0.000 2.738 69 T HA 0.340 4.678 4.350 -0.020 0.000 0.298 69 T C 0.772 175.395 174.700 -0.129 0.000 0.962 69 T CA -0.432 61.590 62.100 -0.129 0.000 0.972 69 T CB 1.464 70.212 68.868 -0.200 0.000 0.928 69 T HN 0.264 nan 8.240 nan 0.000 0.474 70 Q N 2.460 122.202 119.800 -0.097 0.000 2.167 70 Q HA -0.086 4.242 4.340 -0.020 0.000 0.202 70 Q C 2.192 178.134 176.000 -0.096 0.000 0.970 70 Q CA 0.914 56.666 55.803 -0.085 0.000 0.855 70 Q CB 0.023 28.724 28.738 -0.062 0.000 0.911 70 Q HN 0.524 nan 8.270 nan 0.000 0.438 71 R N 0.657 121.092 120.500 -0.108 0.000 2.241 71 R HA -0.043 4.285 4.340 -0.020 0.000 0.224 71 R C 1.616 177.828 176.300 -0.147 0.000 1.101 71 R CA 0.565 56.597 56.100 -0.112 0.000 0.995 71 R CB 0.091 30.326 30.300 -0.108 0.000 0.870 71 R HN 0.211 nan 8.270 nan 0.000 0.463 72 L N -0.142 120.961 121.223 -0.199 0.000 2.640 72 L HA 0.109 4.437 4.340 -0.020 0.000 0.230 72 L C 0.413 177.180 176.870 -0.173 0.000 1.123 72 L CA 0.135 54.819 54.840 -0.261 0.000 0.900 72 L CB 0.420 42.198 42.059 -0.467 0.000 1.146 72 L HN 0.070 nan 8.230 nan 0.000 0.484 73 Q N 1.231 120.955 119.800 -0.126 0.000 3.170 73 Q HA 0.055 4.383 4.340 -0.020 0.000 0.346 73 Q C 0.521 176.474 176.000 -0.077 0.000 1.333 73 Q CA -0.156 55.590 55.803 -0.095 0.000 0.958 73 Q CB 0.019 28.709 28.738 -0.081 0.000 1.600 73 Q HN 0.297 nan 8.270 nan 0.000 0.482 74 T N -3.851 110.660 114.554 -0.073 0.000 2.874 74 T HA 0.298 4.636 4.350 -0.020 0.000 0.281 74 T C 1.215 175.869 174.700 -0.077 0.000 0.994 74 T CA -0.735 61.335 62.100 -0.051 0.000 1.015 74 T CB 0.924 69.777 68.868 -0.024 0.000 1.028 74 T HN 0.297 nan 8.240 nan 0.000 0.523 75 L N 0.513 121.695 121.223 -0.069 0.000 2.046 75 L HA -0.074 4.254 4.340 -0.020 0.000 0.208 75 L C 3.162 179.875 176.870 -0.262 0.000 1.077 75 L CA 1.476 56.216 54.840 -0.167 0.000 0.747 75 L CB -1.216 40.791 42.059 -0.087 0.000 0.896 75 L HN 0.830 nan 8.230 nan 0.000 0.432 76 T N -0.352 114.186 114.554 -0.026 0.000 2.737 76 T HA -0.184 4.154 4.350 -0.020 0.000 0.269 76 T C 1.608 176.332 174.700 0.041 0.000 1.040 76 T CA 1.552 63.718 62.100 0.111 0.000 1.142 76 T CB -0.298 68.657 68.868 0.145 0.000 0.861 76 T HN 0.269 nan 8.240 nan 0.000 0.456 77 N N 0.711 119.396 118.700 -0.025 0.000 2.494 77 N HA 0.152 4.881 4.740 -0.020 0.000 0.182 77 N C 1.632 177.121 175.510 -0.035 0.000 1.076 77 N CA 0.273 53.322 53.050 -0.000 0.000 0.908 77 N CB -0.313 38.171 38.487 -0.005 0.000 0.967 77 N HN 0.387 nan 8.380 nan 0.000 0.449 78 L N -0.687 120.432 121.223 -0.174 0.000 2.109 78 L HA -0.067 4.261 4.340 -0.020 0.000 0.207 78 L C 1.539 178.356 176.870 -0.087 0.000 1.086 78 L CA 0.854 55.576 54.840 -0.197 0.000 0.760 78 L CB -0.365 41.480 42.059 -0.356 0.000 0.910 78 L HN 0.018 nan 8.230 nan 0.000 0.437 79 F N -0.321 119.677 119.950 0.080 0.000 2.134 79 F HA -0.206 4.310 4.527 -0.019 0.000 0.299 79 F C 2.433 178.296 175.800 0.106 0.000 1.097 79 F CA 0.705 58.759 58.000 0.090 0.000 1.264 79 F CB -0.764 38.277 39.000 0.069 0.000 1.001 79 F HN -0.057 nan 8.300 nan 0.000 0.479 80 I N -0.113 120.602 120.570 0.243 0.000 2.286 80 I HA -0.258 3.900 4.170 -0.020 0.000 0.248 80 I C 2.262 178.504 176.117 0.208 0.000 1.115 80 I CA 1.546 62.962 61.300 0.193 0.000 1.392 80 I CB -1.775 36.267 38.000 0.071 0.000 1.065 80 I HN 0.173 nan 8.210 nan 0.000 0.418 81 T N 0.168 114.823 114.554 0.169 0.000 2.708 81 T HA -0.182 4.156 4.350 -0.020 0.000 0.266 81 T C 2.175 176.997 174.700 0.204 0.000 1.037 81 T CA 1.973 64.171 62.100 0.163 0.000 1.146 81 T CB -0.276 68.651 68.868 0.099 0.000 0.865 81 T HN 0.305 nan 8.240 nan 0.000 0.435 82 S N 0.786 116.634 115.700 0.246 0.000 2.365 82 S HA -0.119 4.340 4.470 -0.020 0.000 0.225 82 S C 2.001 176.840 174.600 0.398 0.000 1.039 82 S CA 1.109 59.527 58.200 0.363 0.000 1.033 82 S CB -0.531 62.939 63.200 0.450 0.000 0.887 82 S HN 0.298 nan 8.310 nan 0.000 0.447 83 L N 1.691 123.095 121.223 0.301 0.000 2.083 83 L HA 0.110 4.438 4.340 -0.020 0.000 0.209 83 L C 2.435 179.463 176.870 0.263 0.000 1.083 83 L CA 1.995 56.984 54.840 0.248 0.000 0.752 83 L CB -1.155 41.028 42.059 0.206 0.000 0.899 83 L HN 0.356 nan 8.230 nan 0.000 0.433 84 A N -1.964 121.014 122.820 0.263 0.000 2.015 84 A HA -0.176 4.132 4.320 -0.020 0.000 0.219 84 A C 2.351 180.064 177.584 0.214 0.000 1.163 84 A CA 1.495 53.675 52.037 0.239 0.000 0.646 84 A CB -1.241 17.906 19.000 0.244 0.000 0.806 84 A HN 0.594 nan 8.150 nan 0.000 0.448 85 C N -1.190 118.252 119.300 0.236 0.000 2.466 85 C HA 0.139 4.587 4.460 -0.020 0.000 0.278 85 C C 3.291 178.452 174.990 0.285 0.000 1.288 85 C CA 0.580 59.716 59.018 0.198 0.000 1.722 85 C CB -1.194 26.613 27.740 0.113 0.000 2.017 85 C HN 0.713 nan 8.230 nan 0.000 0.488 86 A N 0.964 124.058 122.820 0.457 0.000 1.883 86 A HA -0.236 4.072 4.320 -0.020 0.000 0.217 86 A C 1.789 179.526 177.584 0.255 0.000 1.186 86 A CA 2.303 54.600 52.037 0.434 0.000 0.624 86 A CB -0.636 18.542 19.000 0.297 0.000 0.822 86 A HN 0.553 nan 8.150 nan 0.000 0.444 87 D N -0.585 119.949 120.400 0.223 0.000 2.117 87 D HA -0.109 4.519 4.640 -0.020 0.000 0.198 87 D C 1.840 178.221 176.300 0.135 0.000 0.982 87 D CA 1.104 55.209 54.000 0.176 0.000 0.828 87 D CB -0.393 40.509 40.800 0.171 0.000 0.967 87 D HN 0.314 nan 8.370 nan 0.000 0.464 88 L N 0.861 122.166 121.223 0.136 0.000 2.042 88 L HA -0.140 4.189 4.340 -0.020 0.000 0.210 88 L C 2.224 179.146 176.870 0.087 0.000 1.076 88 L CA 1.325 56.224 54.840 0.099 0.000 0.749 88 L CB -0.617 41.496 42.059 0.091 0.000 0.893 88 L HN -0.126 nan 8.230 nan 0.000 0.432 89 V N -1.367 118.614 119.914 0.111 0.000 2.407 89 V HA -0.251 3.857 4.120 -0.020 0.000 0.248 89 V C 2.538 178.677 176.094 0.075 0.000 1.055 89 V CA 1.443 63.804 62.300 0.101 0.000 1.049 89 V CB -0.440 31.469 31.823 0.144 0.000 0.662 89 V HN 0.329 nan 8.190 nan 0.000 0.455 90 V N 0.962 120.913 119.914 0.063 0.000 2.343 90 V HA -0.195 3.913 4.120 -0.020 0.000 0.247 90 V C 2.619 178.709 176.094 -0.008 0.000 1.051 90 V CA 2.241 64.535 62.300 -0.010 0.000 1.036 90 V CB -1.348 30.477 31.823 0.002 0.000 0.654 90 V HN 0.610 nan 8.190 nan 0.000 0.451 91 G N -0.491 108.329 108.800 0.033 0.000 2.418 91 G HA2 -0.179 3.769 3.960 -0.020 0.000 0.217 91 G HA3 -0.179 3.769 3.960 -0.020 0.000 0.217 91 G C 1.555 176.468 174.900 0.022 0.000 1.158 91 G CA 0.856 45.976 45.100 0.033 0.000 0.771 91 G HN 0.477 nan 8.290 nan 0.000 0.545 92 L N -0.902 120.338 121.223 0.029 0.000 2.209 92 L HA 0.279 4.607 4.340 -0.020 0.000 0.207 92 L C 2.448 179.330 176.870 0.020 0.000 1.094 92 L CA 0.415 55.263 54.840 0.014 0.000 0.790 92 L CB -0.030 42.042 42.059 0.022 0.000 0.932 92 L HN 0.185 nan 8.230 nan 0.000 0.447 93 L N -2.760 118.512 121.223 0.081 0.000 2.641 93 L HA 0.093 4.421 4.340 -0.020 0.000 0.207 93 L C 2.124 179.193 176.870 0.332 0.000 1.049 93 L CA -0.040 54.924 54.840 0.206 0.000 0.866 93 L CB 0.030 42.232 42.059 0.239 0.000 1.264 93 L HN -0.185 nan 8.230 nan 0.000 0.483 94 V N -0.132 119.895 119.914 0.187 0.000 2.270 94 V HA -0.200 3.908 4.120 -0.020 0.000 0.245 94 V C 2.355 178.530 176.094 0.135 0.000 1.043 94 V CA 1.652 64.064 62.300 0.185 0.000 1.014 94 V CB -0.187 31.497 31.823 -0.232 0.000 0.645 94 V HN 0.141 nan 8.190 nan 0.000 0.447 95 V N 0.374 120.246 119.914 -0.071 0.000 2.261 95 V HA -0.136 3.972 4.120 -0.020 0.000 0.246 95 V C 0.148 176.343 176.094 0.168 0.000 1.047 95 V CA 2.484 64.812 62.300 0.046 0.000 1.015 95 V CB -1.811 30.074 31.823 0.103 0.000 0.642 95 V HN 0.489 nan 8.190 nan 0.000 0.446 96 P HA -0.175 nan 4.420 nan 0.000 0.216 96 P C 1.634 178.842 177.300 -0.154 0.000 1.157 96 P CA 1.720 64.767 63.100 -0.088 0.000 0.880 96 P CB -0.154 31.402 31.700 -0.240 0.000 0.791 97 F N -0.405 119.438 119.950 -0.178 0.000 2.134 97 F HA -0.055 4.461 4.527 -0.019 0.000 0.299 97 F C 2.565 178.162 175.800 -0.338 0.000 1.097 97 F CA 1.955 59.700 58.000 -0.424 0.000 1.264 97 F CB -1.481 37.059 39.000 -0.766 0.000 1.001 97 F HN -0.065 nan 8.300 nan 0.000 0.479 98 G N -0.766 108.106 108.800 0.119 0.000 2.422 98 G HA2 -0.136 3.812 3.960 -0.020 0.000 0.218 98 G HA3 -0.136 3.812 3.960 -0.020 0.000 0.218 98 G C 1.889 177.130 174.900 0.570 0.000 1.140 98 G CA 0.745 46.103 45.100 0.430 0.000 0.775 98 G HN 0.453 nan 8.290 nan 0.000 0.545 99 A N 1.190 124.290 122.820 0.467 0.000 1.865 99 A HA -0.117 4.191 4.320 -0.020 0.000 0.217 99 A C 2.700 180.396 177.584 0.186 0.000 1.191 99 A CA 3.067 55.282 52.037 0.297 0.000 0.623 99 A CB -1.413 17.686 19.000 0.164 0.000 0.826 99 A HN 0.611 nan 8.150 nan 0.000 0.444 100 T N -1.956 112.683 114.554 0.142 0.000 2.849 100 T HA -0.163 4.175 4.350 -0.020 0.000 0.270 100 T C 1.680 176.478 174.700 0.164 0.000 1.066 100 T CA 1.677 63.862 62.100 0.142 0.000 1.130 100 T CB -0.400 68.617 68.868 0.248 0.000 0.864 100 T HN 0.250 nan 8.240 nan 0.000 0.481 101 L N 0.636 122.001 121.223 0.237 0.000 2.131 101 L HA 0.265 4.593 4.340 -0.020 0.000 0.206 101 L C 2.590 179.644 176.870 0.306 0.000 1.087 101 L CA 1.062 56.080 54.840 0.296 0.000 0.767 101 L CB -0.460 41.841 42.059 0.404 0.000 0.917 101 L HN 0.154 nan 8.230 nan 0.000 0.441 102 V N -1.386 118.730 119.914 0.337 0.000 2.379 102 V HA -0.197 3.911 4.120 -0.020 0.000 0.245 102 V C 2.402 178.710 176.094 0.357 0.000 1.044 102 V CA 1.505 64.012 62.300 0.344 0.000 1.036 102 V CB -0.138 31.841 31.823 0.260 0.000 0.664 102 V HN 0.286 nan 8.190 nan 0.000 0.453 103 V N -0.244 119.790 119.914 0.200 0.000 2.323 103 V HA -0.103 4.005 4.120 -0.020 0.000 0.244 103 V C 2.421 178.662 176.094 0.245 0.000 1.041 103 V CA 1.633 64.021 62.300 0.145 0.000 1.025 103 V CB -0.565 31.258 31.823 -0.000 0.000 0.656 103 V HN 0.410 nan 8.190 nan 0.000 0.451 104 R N -0.167 120.429 120.500 0.161 0.000 2.300 104 R HA 0.208 4.536 4.340 -0.020 0.000 0.199 104 R C 1.814 178.181 176.300 0.112 0.000 0.920 104 R CA 0.779 56.941 56.100 0.104 0.000 1.046 104 R CB -0.297 30.012 30.300 0.016 0.000 0.984 104 R HN 0.609 nan 8.270 nan 0.000 0.493 105 G N 1.467 110.366 108.800 0.165 0.000 2.189 105 G HA2 -0.333 3.615 3.960 -0.020 0.000 0.267 105 G HA3 -0.333 3.615 3.960 -0.020 0.000 0.267 105 G C 0.356 175.335 174.900 0.131 0.000 0.975 105 G CA 1.247 46.430 45.100 0.139 0.000 0.644 105 G HN 0.545 nan 8.290 nan 0.000 0.537 106 T N -4.195 110.433 114.554 0.123 0.000 2.816 106 T HA 0.515 4.853 4.350 -0.020 0.000 0.299 106 T C -0.675 174.128 174.700 0.171 0.000 1.230 106 T CA -0.466 61.718 62.100 0.141 0.000 1.007 106 T CB 1.962 70.874 68.868 0.073 0.000 1.289 106 T HN 0.805 nan 8.240 nan 0.000 0.508 107 W N 3.036 124.359 121.300 0.038 0.000 2.388 107 W HA 0.389 5.039 4.660 -0.016 0.000 0.308 107 W C -0.426 176.024 176.519 -0.115 0.000 1.263 107 W CA -0.915 56.447 57.345 0.028 0.000 1.286 107 W CB 0.531 30.064 29.460 0.122 0.000 1.294 107 W HN 0.703 nan 8.180 nan 0.000 0.493 108 L N 5.508 126.166 121.223 -0.943 0.000 2.607 108 L HA 0.042 4.370 4.340 -0.020 0.000 0.228 108 L C 0.798 177.023 176.870 -1.075 0.000 1.123 108 L CA 0.398 54.600 54.840 -1.063 0.000 0.890 108 L CB -0.082 41.111 42.059 -1.443 0.000 1.103 108 L HN 0.502 nan 8.230 nan 0.000 0.468 109 W N 0.172 121.064 121.300 -0.680 0.000 3.008 109 W HA 0.526 5.173 4.660 -0.021 0.000 0.355 109 W C 1.163 177.795 176.519 0.188 0.000 1.095 109 W CA 0.177 57.360 57.345 -0.271 0.000 1.738 109 W CB 0.441 29.684 29.460 -0.361 0.000 1.091 109 W HN 0.063 nan 8.180 nan 0.000 0.574 110 G N 0.522 109.614 108.800 0.486 0.000 2.756 110 G HA2 -0.255 3.693 3.960 -0.020 0.000 0.678 110 G HA3 -0.255 3.693 3.960 -0.020 0.000 0.678 110 G C 0.546 175.806 174.900 0.600 0.000 1.349 110 G CA -0.265 45.134 45.100 0.499 0.000 0.847 110 G HN -0.085 nan 8.290 nan 0.000 0.548 111 S N -0.875 115.069 115.700 0.408 0.000 2.368 111 S HA 0.004 4.462 4.470 -0.020 0.000 0.224 111 S C 1.997 176.791 174.600 0.324 0.000 1.029 111 S CA 2.183 60.577 58.200 0.323 0.000 0.988 111 S CB -0.311 63.052 63.200 0.272 0.000 0.838 111 S HN 0.786 nan 8.310 nan 0.000 0.462 112 F N 2.401 122.484 119.950 0.221 0.000 2.075 112 F HA -0.023 4.492 4.527 -0.020 0.000 0.297 112 F C 1.759 177.671 175.800 0.188 0.000 1.113 112 F CA 1.387 59.496 58.000 0.183 0.000 1.218 112 F CB -0.493 38.602 39.000 0.159 0.000 0.984 112 F HN 0.092 nan 8.300 nan 0.000 0.472 113 L N -0.481 120.872 121.223 0.217 0.000 2.265 113 L HA -0.241 4.087 4.340 -0.020 0.000 0.215 113 L C 2.800 179.746 176.870 0.127 0.000 1.117 113 L CA 1.049 55.953 54.840 0.107 0.000 0.782 113 L CB -0.951 41.314 42.059 0.343 0.000 0.914 113 L HN 0.487 nan 8.230 nan 0.000 0.441 114 c N 0.426 119.110 118.600 0.140 0.000 2.446 114 c HA -0.128 4.430 4.570 -0.020 0.000 0.277 114 c C 2.564 176.501 174.090 -0.255 0.000 1.275 114 c CA 0.938 57.044 56.329 -0.372 0.000 1.727 114 c CB -0.439 41.723 42.510 -0.580 0.000 2.010 114 c HN 0.526 nan 8.230 nan 0.000 0.486 115 E N 0.025 120.124 120.200 -0.169 0.000 2.072 115 E HA -0.167 4.171 4.350 -0.020 0.000 0.190 115 E C 1.988 178.419 176.600 -0.282 0.000 0.982 115 E CA 1.182 57.471 56.400 -0.186 0.000 0.803 115 E CB -0.308 29.377 29.700 -0.025 0.000 0.755 115 E HN 0.588 nan 8.360 nan 0.000 0.453 116 L N 0.422 121.429 121.223 -0.361 0.000 2.046 116 L HA -0.167 4.161 4.340 -0.020 0.000 0.208 116 L C 2.042 178.769 176.870 -0.238 0.000 1.077 116 L CA 1.750 56.407 54.840 -0.305 0.000 0.747 116 L CB -0.579 41.220 42.059 -0.433 0.000 0.896 116 L HN 0.293 nan 8.230 nan 0.000 0.432 117 W N 0.278 121.311 121.300 -0.444 0.000 2.355 117 W HA -0.214 4.434 4.660 -0.019 0.000 0.309 117 W C 2.355 178.626 176.519 -0.414 0.000 1.206 117 W CA 2.503 59.585 57.345 -0.438 0.000 1.284 117 W CB -0.923 28.252 29.460 -0.475 0.000 1.145 117 W HN 0.098 nan 8.180 nan 0.000 0.502 118 T N 0.375 114.465 114.554 -0.773 0.000 2.720 118 T HA -0.234 4.104 4.350 -0.020 0.000 0.268 118 T C 1.976 176.151 174.700 -0.874 0.000 1.037 118 T CA 2.099 63.554 62.100 -1.074 0.000 1.144 118 T CB -0.710 67.519 68.868 -1.066 0.000 0.864 118 T HN 0.150 nan 8.240 nan 0.000 0.444 119 S N 1.169 116.461 115.700 -0.679 0.000 2.356 119 S HA 0.016 4.475 4.470 -0.020 0.000 0.223 119 S C 2.041 176.191 174.600 -0.750 0.000 1.032 119 S CA 0.945 58.685 58.200 -0.766 0.000 1.005 119 S CB -0.469 62.214 63.200 -0.861 0.000 0.867 119 S HN 0.373 nan 8.310 nan 0.000 0.449 120 L N 1.391 122.302 121.223 -0.520 0.000 2.046 120 L HA -0.155 4.173 4.340 -0.020 0.000 0.208 120 L C 2.498 179.176 176.870 -0.320 0.000 1.077 120 L CA 1.289 55.948 54.840 -0.302 0.000 0.747 120 L CB -0.697 41.296 42.059 -0.109 0.000 0.896 120 L HN 0.303 nan 8.230 nan 0.000 0.432 121 D N 0.508 120.621 120.400 -0.478 0.000 2.108 121 D HA -0.178 4.450 4.640 -0.020 0.000 0.190 121 D C 2.129 178.206 176.300 -0.372 0.000 0.995 121 D CA 1.833 55.557 54.000 -0.460 0.000 0.834 121 D CB -0.069 40.299 40.800 -0.720 0.000 0.967 121 D HN 0.061 nan 8.370 nan 0.000 0.446 122 V N 1.074 120.722 119.914 -0.442 0.000 2.324 122 V HA -0.244 3.865 4.120 -0.020 0.000 0.250 122 V C 2.755 178.681 176.094 -0.279 0.000 1.060 122 V CA 1.664 63.768 62.300 -0.326 0.000 1.042 122 V CB -0.714 30.934 31.823 -0.291 0.000 0.650 122 V HN 0.242 nan 8.190 nan 0.000 0.450 123 L N -0.065 120.970 121.223 -0.313 0.000 2.012 123 L HA -0.193 4.135 4.340 -0.020 0.000 0.210 123 L C 2.376 179.135 176.870 -0.185 0.000 1.073 123 L CA 2.324 57.033 54.840 -0.218 0.000 0.748 123 L CB -0.785 41.184 42.059 -0.151 0.000 0.891 123 L HN 0.363 nan 8.230 nan 0.000 0.431 124 C N -2.097 117.120 119.300 -0.140 0.000 2.440 124 C HA -0.079 4.369 4.460 -0.020 0.000 0.278 124 C C 2.862 177.779 174.990 -0.122 0.000 1.295 124 C CA 0.856 59.827 59.018 -0.080 0.000 1.738 124 C CB -0.739 27.013 27.740 0.020 0.000 1.987 124 C HN 0.566 nan 8.230 nan 0.000 0.492 125 V N 0.749 120.547 119.914 -0.194 0.000 2.548 125 V HA -0.144 3.964 4.120 -0.020 0.000 0.249 125 V C 2.367 178.345 176.094 -0.194 0.000 1.055 125 V CA 2.619 64.758 62.300 -0.269 0.000 1.065 125 V CB -0.627 30.729 31.823 -0.779 0.000 0.681 125 V HN 0.633 nan 8.190 nan 0.000 0.462 126 T N 0.740 115.157 114.554 -0.228 0.000 2.708 126 T HA -0.098 4.240 4.350 -0.020 0.000 0.266 126 T C 2.009 176.530 174.700 -0.299 0.000 1.037 126 T CA 1.658 63.621 62.100 -0.228 0.000 1.146 126 T CB -0.544 68.204 68.868 -0.201 0.000 0.865 126 T HN 0.640 nan 8.240 nan 0.000 0.435 127 A N 1.298 123.870 122.820 -0.412 0.000 1.930 127 A HA -0.054 4.254 4.320 -0.020 0.000 0.217 127 A C 2.601 179.901 177.584 -0.473 0.000 1.175 127 A CA 1.765 53.407 52.037 -0.658 0.000 0.627 127 A CB -0.781 17.434 19.000 -1.307 0.000 0.815 127 A HN 0.423 nan 8.150 nan 0.000 0.443 128 S N -0.320 115.203 115.700 -0.294 0.000 2.343 128 S HA -0.152 4.307 4.470 -0.020 0.000 0.219 128 S C 1.877 176.215 174.600 -0.438 0.000 1.033 128 S CA 1.456 59.524 58.200 -0.221 0.000 1.014 128 S CB -0.451 62.788 63.200 0.064 0.000 0.915 128 S HN 0.521 nan 8.310 nan 0.000 0.435 129 I N 2.203 122.472 120.570 -0.502 0.000 2.264 129 I HA -0.154 4.004 4.170 -0.020 0.000 0.248 129 I C 2.036 177.918 176.117 -0.390 0.000 1.111 129 I CA 1.418 62.369 61.300 -0.582 0.000 1.382 129 I CB -0.569 37.217 38.000 -0.357 0.000 1.060 129 I HN 0.291 nan 8.210 nan 0.000 0.418 130 E N -0.740 119.266 120.200 -0.324 0.000 2.106 130 E HA -0.173 4.165 4.350 -0.020 0.000 0.192 130 E C 2.013 178.453 176.600 -0.267 0.000 0.984 130 E CA 1.699 57.934 56.400 -0.274 0.000 0.806 130 E CB -0.166 29.379 29.700 -0.258 0.000 0.750 130 E HN 0.491 nan 8.360 nan 0.000 0.458 131 T N 1.456 115.844 114.554 -0.277 0.000 2.821 131 T HA -0.070 4.268 4.350 -0.020 0.000 0.267 131 T C 1.942 176.510 174.700 -0.220 0.000 1.046 131 T CA 0.650 62.620 62.100 -0.217 0.000 1.139 131 T CB -0.096 68.697 68.868 -0.126 0.000 0.871 131 T HN 0.080 nan 8.240 nan 0.000 0.454 132 L N 0.331 121.400 121.223 -0.257 0.000 2.131 132 L HA -0.095 4.233 4.340 -0.020 0.000 0.210 132 L C 2.821 179.569 176.870 -0.202 0.000 1.092 132 L CA 0.696 55.399 54.840 -0.229 0.000 0.759 132 L CB -0.677 41.185 42.059 -0.329 0.000 0.903 132 L HN 0.372 nan 8.230 nan 0.000 0.435 133 C N -0.999 118.166 119.300 -0.225 0.000 2.432 133 C HA -0.130 4.318 4.460 -0.020 0.000 0.277 133 C C 2.838 177.714 174.990 -0.190 0.000 1.249 133 C CA 0.569 59.477 59.018 -0.185 0.000 1.725 133 C CB -0.409 27.222 27.740 -0.182 0.000 2.028 133 C HN 0.336 nan 8.230 nan 0.000 0.477 134 V N 0.848 120.605 119.914 -0.262 0.000 2.332 134 V HA -0.234 3.874 4.120 -0.020 0.000 0.248 134 V C 2.095 177.944 176.094 -0.409 0.000 1.055 134 V CA 2.104 64.176 62.300 -0.380 0.000 1.038 134 V CB -0.509 30.977 31.823 -0.562 0.000 0.651 134 V HN 0.536 nan 8.190 nan 0.000 0.450 135 I N 0.159 120.537 120.570 -0.320 0.000 2.226 135 I HA -0.242 3.916 4.170 -0.020 0.000 0.245 135 I C 2.613 178.703 176.117 -0.046 0.000 1.100 135 I CA 1.506 62.726 61.300 -0.133 0.000 1.374 135 I CB -0.523 37.466 38.000 -0.019 0.000 1.057 135 I HN 0.288 nan 8.210 nan 0.000 0.413 136 A N 0.857 123.638 122.820 -0.064 0.000 1.902 136 A HA -0.164 4.144 4.320 -0.020 0.000 0.217 136 A C 2.278 179.870 177.584 0.014 0.000 1.181 136 A CA 1.501 53.524 52.037 -0.023 0.000 0.623 136 A CB -0.810 18.161 19.000 -0.048 0.000 0.818 136 A HN 0.385 nan 8.150 nan 0.000 0.443 137 I N -0.341 120.217 120.570 -0.020 0.000 2.226 137 I HA -0.244 3.914 4.170 -0.020 0.000 0.245 137 I C 2.265 178.453 176.117 0.118 0.000 1.100 137 I CA 1.778 63.099 61.300 0.036 0.000 1.374 137 I CB -0.465 37.523 38.000 -0.020 0.000 1.057 137 I HN 0.405 nan 8.210 nan 0.000 0.413 138 D N 0.903 121.353 120.400 0.083 0.000 2.116 138 D HA -0.224 4.404 4.640 -0.020 0.000 0.193 138 D C 2.338 178.746 176.300 0.179 0.000 0.998 138 D CA 1.511 55.648 54.000 0.229 0.000 0.836 138 D CB 0.127 41.097 40.800 0.283 0.000 0.951 138 D HN 0.047 nan 8.370 nan 0.000 0.449 139 R N -0.743 119.813 120.500 0.093 0.000 2.090 139 R HA -0.123 4.205 4.340 -0.020 0.000 0.228 139 R C 2.269 178.569 176.300 -0.001 0.000 1.110 139 R CA 0.831 56.936 56.100 0.009 0.000 0.973 139 R CB -1.229 29.079 30.300 0.015 0.000 0.869 139 R HN 0.446 nan 8.270 nan 0.000 0.440 140 Y N 1.390 121.669 120.300 -0.036 0.000 2.128 140 Y HA -0.227 4.312 4.550 -0.019 0.000 0.284 140 Y C 2.221 178.109 175.900 -0.020 0.000 1.154 140 Y CA 1.431 59.508 58.100 -0.037 0.000 1.149 140 Y CB -0.384 38.058 38.460 -0.031 0.000 0.976 140 Y HN -0.059 nan 8.280 nan 0.000 0.505 141 L N 0.262 121.575 121.223 0.150 0.000 2.046 141 L HA -0.145 4.184 4.340 -0.020 0.000 0.208 141 L C 2.516 179.380 176.870 -0.010 0.000 1.077 141 L CA 2.056 56.983 54.840 0.146 0.000 0.747 141 L CB -1.005 41.255 42.059 0.335 0.000 0.896 141 L HN 0.308 nan 8.230 nan 0.000 0.432 142 A N -1.263 121.398 122.820 -0.265 0.000 2.067 142 A HA -0.130 4.178 4.320 -0.020 0.000 0.219 142 A C 2.293 179.657 177.584 -0.365 0.000 1.158 142 A CA 1.679 53.298 52.037 -0.696 0.000 0.661 142 A CB -0.661 17.630 19.000 -1.181 0.000 0.801 142 A HN 0.501 nan 8.150 nan 0.000 0.452 143 I N -0.617 119.785 120.570 -0.280 0.000 3.035 143 I HA -0.091 4.067 4.170 -0.020 0.000 0.271 143 I C 2.356 178.337 176.117 -0.228 0.000 1.190 143 I CA 1.587 62.748 61.300 -0.231 0.000 1.472 143 I CB 0.299 38.171 38.000 -0.214 0.000 1.116 143 I HN 0.499 nan 8.210 nan 0.000 0.443 144 T N -3.944 110.434 114.554 -0.293 0.000 3.039 144 T HA 0.095 4.433 4.350 -0.020 0.000 0.250 144 T C 1.051 175.691 174.700 -0.101 0.000 1.052 144 T CA 0.080 62.025 62.100 -0.259 0.000 1.125 144 T CB 0.193 68.787 68.868 -0.457 0.000 0.908 144 T HN 0.067 nan 8.240 nan 0.000 0.473 145 S N 2.203 117.874 115.700 -0.048 0.000 2.216 145 S HA 0.451 4.909 4.470 -0.020 0.000 0.156 145 S C -2.374 172.282 174.600 0.093 0.000 1.665 145 S CA -1.216 57.015 58.200 0.052 0.000 1.262 145 S CB 1.084 64.332 63.200 0.079 0.000 1.207 145 S HN 0.069 nan 8.310 nan 0.000 0.427 146 P HA 0.002 nan 4.420 nan 0.000 0.218 146 P C 0.722 177.965 177.300 -0.094 0.000 1.149 146 P CA 1.010 64.068 63.100 -0.071 0.000 0.817 146 P CB 0.050 31.642 31.700 -0.180 0.000 0.785 147 F N -1.180 118.812 119.950 0.070 0.000 2.387 147 F HA 0.140 4.655 4.527 -0.020 0.000 0.294 147 F C 2.558 178.401 175.800 0.073 0.000 1.093 147 F CA 0.444 58.484 58.000 0.067 0.000 1.420 147 F CB -0.556 38.466 39.000 0.036 0.000 1.086 147 F HN -0.306 nan 8.300 nan 0.000 0.531 148 R N -0.209 120.432 120.500 0.236 0.000 2.083 148 R HA -0.238 4.091 4.340 -0.020 0.000 0.237 148 R C 2.160 178.539 176.300 0.133 0.000 1.137 148 R CA 1.698 57.890 56.100 0.154 0.000 0.951 148 R CB -1.102 29.276 30.300 0.131 0.000 0.851 148 R HN 0.343 nan 8.270 nan 0.000 0.434 149 Y N 0.764 121.083 120.300 0.031 0.000 2.081 149 Y HA -0.326 4.212 4.550 -0.020 0.000 0.280 149 Y C 2.158 178.056 175.900 -0.003 0.000 1.163 149 Y CA 2.068 60.174 58.100 0.010 0.000 1.135 149 Y CB -0.142 38.307 38.460 -0.018 0.000 0.970 149 Y HN 0.148 nan 8.280 nan 0.000 0.498 150 Q N -0.202 119.673 119.800 0.125 0.000 2.170 150 Q HA -0.163 4.165 4.340 -0.020 0.000 0.203 150 Q C 2.556 178.538 176.000 -0.030 0.000 0.976 150 Q CA 1.730 57.549 55.803 0.027 0.000 0.858 150 Q CB -0.415 28.324 28.738 0.001 0.000 0.907 150 Q HN 0.672 nan 8.270 nan 0.000 0.433 151 S N -0.183 115.520 115.700 0.006 0.000 2.362 151 S HA -0.015 4.443 4.470 -0.020 0.000 0.221 151 S C 2.115 176.689 174.600 -0.043 0.000 1.032 151 S CA 0.382 58.583 58.200 0.001 0.000 0.973 151 S CB -0.514 62.710 63.200 0.041 0.000 0.849 151 S HN 0.258 nan 8.310 nan 0.000 0.465 152 L N 0.392 121.578 121.223 -0.061 0.000 1.994 152 L HA 0.100 4.428 4.340 -0.020 0.000 0.208 152 L C 1.274 178.061 176.870 -0.137 0.000 1.071 152 L CA 0.831 55.625 54.840 -0.077 0.000 0.745 152 L CB -0.476 41.552 42.059 -0.052 0.000 0.892 152 L HN 0.356 nan 8.230 nan 0.000 0.431 153 M N 1.561 120.989 119.600 -0.288 0.000 2.266 153 M HA 0.105 4.573 4.480 -0.020 0.000 0.340 153 M C 0.242 176.408 176.300 -0.223 0.000 1.486 153 M CA 0.457 55.554 55.300 -0.338 0.000 1.209 153 M CB 0.072 32.212 32.600 -0.766 0.000 1.714 153 M HN 0.222 nan 8.290 nan 0.000 0.459 154 T N 0.615 115.094 114.554 -0.125 0.000 2.910 154 T HA 0.552 4.890 4.350 -0.020 0.000 0.287 154 T C 1.132 175.787 174.700 -0.075 0.000 1.050 154 T CA -0.890 61.158 62.100 -0.086 0.000 1.011 154 T CB 2.122 70.956 68.868 -0.056 0.000 1.195 154 T HN 0.661 nan 8.240 nan 0.000 0.540 155 R N 0.017 120.477 120.500 -0.066 0.000 2.081 155 R HA 0.008 4.336 4.340 -0.020 0.000 0.235 155 R C 2.717 178.988 176.300 -0.048 0.000 1.131 155 R CA 1.406 57.465 56.100 -0.069 0.000 0.960 155 R CB -0.906 29.358 30.300 -0.060 0.000 0.856 155 R HN 0.806 nan 8.270 nan 0.000 0.436 156 A N 1.253 124.054 122.820 -0.032 0.000 1.940 156 A HA -0.183 4.125 4.320 -0.020 0.000 0.219 156 A C 2.075 179.659 177.584 -0.001 0.000 1.176 156 A CA 1.298 53.325 52.037 -0.015 0.000 0.631 156 A CB -0.330 18.663 19.000 -0.012 0.000 0.814 156 A HN 0.234 nan 8.150 nan 0.000 0.446 157 R N -0.845 119.653 120.500 -0.003 0.000 2.093 157 R HA 0.064 4.392 4.340 -0.020 0.000 0.224 157 R C 2.530 178.867 176.300 0.062 0.000 1.101 157 R CA 0.916 57.029 56.100 0.022 0.000 0.979 157 R CB -0.455 29.849 30.300 0.008 0.000 0.877 157 R HN 0.493 nan 8.270 nan 0.000 0.441 158 A N 2.009 124.849 122.820 0.034 0.000 1.892 158 A HA -0.239 4.070 4.320 -0.020 0.000 0.218 158 A C 1.957 179.589 177.584 0.079 0.000 1.188 158 A CA 1.572 53.631 52.037 0.036 0.000 0.631 158 A CB -0.354 18.524 19.000 -0.203 0.000 0.822 158 A HN 0.200 nan 8.150 nan 0.000 0.447 159 K N -0.670 119.747 120.400 0.029 0.000 2.057 159 K HA -0.081 4.227 4.320 -0.020 0.000 0.207 159 K C 1.929 178.582 176.600 0.088 0.000 1.049 159 K CA 1.451 57.768 56.287 0.049 0.000 0.931 159 K CB -0.365 32.145 32.500 0.017 0.000 0.714 159 K HN 0.356 nan 8.250 nan 0.000 0.440 160 V N 1.746 121.708 119.914 0.080 0.000 2.358 160 V HA -0.230 3.878 4.120 -0.020 0.000 0.246 160 V C 2.188 178.349 176.094 0.112 0.000 1.047 160 V CA 1.491 63.839 62.300 0.080 0.000 1.035 160 V CB -0.357 31.499 31.823 0.056 0.000 0.658 160 V HN 0.252 nan 8.190 nan 0.000 0.452 161 I N -0.285 120.373 120.570 0.147 0.000 2.151 161 I HA -0.303 3.855 4.170 -0.020 0.000 0.243 161 I C 2.310 178.545 176.117 0.198 0.000 1.080 161 I CA 1.964 63.364 61.300 0.167 0.000 1.339 161 I CB -0.373 37.769 38.000 0.237 0.000 1.039 161 I HN 0.223 nan 8.210 nan 0.000 0.409 162 I N -0.066 120.677 120.570 0.289 0.000 2.179 162 I HA -0.348 3.810 4.170 -0.020 0.000 0.242 162 I C 2.611 178.940 176.117 0.354 0.000 1.088 162 I CA 1.384 62.889 61.300 0.341 0.000 1.357 162 I CB -0.346 37.859 38.000 0.343 0.000 1.051 162 I HN 0.369 nan 8.210 nan 0.000 0.409 163 C N 0.002 119.448 119.300 0.244 0.000 2.422 163 C HA -0.137 4.312 4.460 -0.020 0.000 0.279 163 C C 2.953 178.062 174.990 0.199 0.000 1.305 163 C CA 1.425 60.573 59.018 0.216 0.000 1.757 163 C CB -1.177 26.635 27.740 0.120 0.000 1.962 163 C HN 0.523 nan 8.230 nan 0.000 0.499 164 T N 0.718 115.358 114.554 0.144 0.000 2.777 164 T HA -0.118 4.220 4.350 -0.020 0.000 0.266 164 T C 1.889 176.635 174.700 0.076 0.000 1.040 164 T CA 1.406 63.563 62.100 0.094 0.000 1.141 164 T CB -0.278 68.626 68.868 0.061 0.000 0.868 164 T HN 0.353 nan 8.240 nan 0.000 0.444 165 V N 0.039 119.989 119.914 0.060 0.000 2.287 165 V HA -0.214 3.894 4.120 -0.020 0.000 0.248 165 V C 2.119 178.167 176.094 -0.077 0.000 1.053 165 V CA 1.629 63.898 62.300 -0.052 0.000 1.027 165 V CB -0.742 31.012 31.823 -0.115 0.000 0.646 165 V HN 0.593 nan 8.190 nan 0.000 0.447 166 W N -0.112 121.206 121.300 0.030 0.000 2.363 166 W HA -0.063 4.585 4.660 -0.019 0.000 0.296 166 W C 2.614 179.160 176.519 0.046 0.000 1.212 166 W CA 1.565 58.934 57.345 0.041 0.000 1.260 166 W CB -0.707 28.782 29.460 0.049 0.000 1.131 166 W HN 0.200 nan 8.180 nan 0.000 0.530 167 A N 0.530 123.491 122.820 0.235 0.000 1.851 167 A HA -0.219 4.089 4.320 -0.020 0.000 0.216 167 A C 1.878 179.524 177.584 0.103 0.000 1.195 167 A CA 2.056 54.182 52.037 0.149 0.000 0.622 167 A CB -1.089 17.975 19.000 0.107 0.000 0.831 167 A HN 0.268 nan 8.150 nan 0.000 0.444 168 I N -0.072 120.533 120.570 0.058 0.000 2.208 168 I HA -0.250 3.908 4.170 -0.020 0.000 0.245 168 I C 2.671 178.793 176.117 0.009 0.000 1.097 168 I CA 1.567 62.880 61.300 0.022 0.000 1.363 168 I CB -0.329 37.661 38.000 -0.016 0.000 1.051 168 I HN 0.246 nan 8.210 nan 0.000 0.413 169 S N 0.729 116.416 115.700 -0.023 0.000 2.368 169 S HA -0.112 4.346 4.470 -0.020 0.000 0.224 169 S C 2.306 176.933 174.600 0.045 0.000 1.029 169 S CA 1.174 59.338 58.200 -0.060 0.000 0.988 169 S CB -0.376 62.696 63.200 -0.212 0.000 0.838 169 S HN 0.536 nan 8.310 nan 0.000 0.462 170 A N 1.709 124.629 122.820 0.167 0.000 1.883 170 A HA -0.110 4.198 4.320 -0.020 0.000 0.217 170 A C 2.124 179.869 177.584 0.269 0.000 1.186 170 A CA 1.539 53.776 52.037 0.335 0.000 0.624 170 A CB -0.846 18.346 19.000 0.320 0.000 0.822 170 A HN 0.402 nan 8.150 nan 0.000 0.444 171 L N -0.109 121.208 121.223 0.156 0.000 1.989 171 L HA -0.129 4.199 4.340 -0.020 0.000 0.211 171 L C 2.411 179.348 176.870 0.111 0.000 1.071 171 L CA 2.112 57.024 54.840 0.120 0.000 0.749 171 L CB -0.702 41.408 42.059 0.084 0.000 0.890 171 L HN 0.155 nan 8.230 nan 0.000 0.431 172 V N -0.474 119.485 119.914 0.076 0.000 2.626 172 V HA -0.202 3.906 4.120 -0.020 0.000 0.252 172 V C 2.479 178.607 176.094 0.057 0.000 1.067 172 V CA 1.588 63.924 62.300 0.060 0.000 1.081 172 V CB -0.555 31.271 31.823 0.006 0.000 0.686 172 V HN 0.768 nan 8.190 nan 0.000 0.468 173 S N -1.529 114.182 115.700 0.018 0.000 2.510 173 S HA 0.072 4.531 4.470 -0.020 0.000 0.230 173 S C 1.833 176.349 174.600 -0.141 0.000 1.066 173 S CA 0.332 58.475 58.200 -0.094 0.000 0.941 173 S CB -0.516 62.535 63.200 -0.249 0.000 0.829 173 S HN 0.348 nan 8.310 nan 0.000 0.530 174 F N 2.087 122.029 119.950 -0.013 0.000 2.060 174 F HA 0.172 4.687 4.527 -0.019 0.000 0.295 174 F C 2.474 178.241 175.800 -0.055 0.000 1.120 174 F CA 0.879 58.857 58.000 -0.036 0.000 1.205 174 F CB -0.528 38.457 39.000 -0.026 0.000 0.986 174 F HN 0.135 nan 8.300 nan 0.000 0.470 175 L N 0.507 121.807 121.223 0.129 0.000 1.990 175 L HA -0.174 4.154 4.340 -0.020 0.000 0.213 175 L C -0.344 176.363 176.870 -0.272 0.000 1.072 175 L CA 2.521 57.314 54.840 -0.079 0.000 0.755 175 L CB -2.280 39.718 42.059 -0.102 0.000 0.889 175 L HN 0.058 nan 8.230 nan 0.000 0.432 176 P HA -0.131 nan 4.420 nan 0.000 0.218 176 P C 1.961 179.333 177.300 0.119 0.000 1.149 176 P CA 1.361 64.428 63.100 -0.055 0.000 0.817 176 P CB 0.107 32.116 31.700 0.514 0.000 0.785 177 I N -1.926 118.731 120.570 0.145 0.000 2.353 177 I HA -0.168 3.991 4.170 -0.020 0.000 0.248 177 I C 2.149 178.453 176.117 0.311 0.000 1.119 177 I CA 1.176 62.604 61.300 0.214 0.000 1.417 177 I CB -0.446 37.480 38.000 -0.123 0.000 1.078 177 I HN -0.124 nan 8.210 nan 0.000 0.421 178 M N -0.518 119.155 119.600 0.120 0.000 2.229 178 M HA -0.091 4.377 4.480 -0.020 0.000 0.264 178 M C 2.046 178.305 176.300 -0.069 0.000 1.063 178 M CA 1.487 56.835 55.300 0.080 0.000 1.114 178 M CB -0.802 31.828 32.600 0.051 0.000 1.387 178 M HN 0.211 nan 8.290 nan 0.000 0.420 179 M N -1.424 118.037 119.600 -0.231 0.000 2.619 179 M HA -0.012 4.456 4.480 -0.020 0.000 0.251 179 M C 0.085 176.296 176.300 -0.150 0.000 1.106 179 M CA 0.671 55.736 55.300 -0.393 0.000 1.086 179 M CB -1.205 30.778 32.600 -1.029 0.000 1.465 179 M HN 0.486 nan 8.290 nan 0.000 0.506 180 H N -3.493 115.501 119.070 -0.127 0.000 2.992 180 H HA -0.211 4.333 4.556 -0.020 0.000 0.266 180 H C 0.314 175.495 175.328 -0.245 0.000 1.200 180 H CA 0.073 55.923 56.048 -0.329 0.000 1.135 180 H CB -1.422 28.131 29.762 -0.349 0.000 1.282 180 H HN 0.452 nan 8.280 nan 0.000 0.351 181 W N 0.805 122.099 121.300 -0.010 0.000 2.525 181 W HA -0.123 4.528 4.660 -0.015 0.000 0.259 181 W C 2.065 178.568 176.519 -0.027 0.000 1.253 181 W CA 1.140 58.502 57.345 0.029 0.000 1.262 181 W CB -0.765 28.811 29.460 0.194 0.000 1.122 181 W HN 0.637 nan 8.180 nan 0.000 0.607 182 W N 0.414 121.653 121.300 -0.101 0.000 2.863 182 W HA 0.231 4.879 4.660 -0.020 0.000 0.258 182 W C 0.439 176.787 176.519 -0.284 0.000 1.298 182 W CA -0.399 56.657 57.345 -0.482 0.000 1.451 182 W CB -1.103 27.720 29.460 -1.062 0.000 1.107 182 W HN -0.297 nan 8.180 nan 0.000 0.641 183 R N 2.343 122.259 120.500 -0.972 0.000 2.570 183 R HA 0.022 4.350 4.340 -0.020 0.000 0.277 183 R C -0.243 175.914 176.300 -0.238 0.000 1.039 183 R CA 0.232 55.806 56.100 -0.878 0.000 1.065 183 R CB 0.404 29.938 30.300 -1.277 0.000 0.964 183 R HN -0.153 nan 8.270 nan 0.000 0.428 184 D N 0.877 121.283 120.400 0.009 0.000 2.387 184 D HA 0.085 4.713 4.640 -0.020 0.000 0.255 184 D C 0.306 176.637 176.300 0.051 0.000 1.081 184 D CA -0.348 53.665 54.000 0.022 0.000 0.994 184 D CB 1.255 42.060 40.800 0.008 0.000 1.127 184 D HN 0.443 nan 8.370 nan 0.000 0.513 185 E N -0.432 119.769 120.200 0.002 0.000 2.460 185 E HA 0.040 4.379 4.350 -0.020 0.000 0.200 185 E C -0.370 176.215 176.600 -0.025 0.000 1.011 185 E CA -0.260 56.139 56.400 -0.002 0.000 0.912 185 E CB 0.350 30.044 29.700 -0.011 0.000 0.953 185 E HN 0.401 nan 8.360 nan 0.000 0.494 186 D N 1.158 121.532 120.400 -0.044 0.000 2.601 186 D HA -0.091 4.537 4.640 -0.020 0.000 0.229 186 D C -1.622 174.629 176.300 -0.081 0.000 1.140 186 D CA -0.912 53.050 54.000 -0.063 0.000 0.862 186 D CB 0.869 41.623 40.800 -0.077 0.000 1.192 186 D HN -0.155 nan 8.370 nan 0.000 0.480 187 P HA -0.176 nan 4.420 nan 0.000 0.215 187 P C 0.982 178.225 177.300 -0.096 0.000 1.157 187 P CA 1.656 64.716 63.100 -0.067 0.000 0.874 187 P CB 0.121 31.793 31.700 -0.048 0.000 0.790 188 Q N -0.927 118.811 119.800 -0.104 0.000 2.170 188 Q HA -0.091 4.237 4.340 -0.020 0.000 0.203 188 Q C 2.214 178.084 176.000 -0.217 0.000 0.976 188 Q CA 1.625 57.353 55.803 -0.124 0.000 0.858 188 Q CB -0.710 27.968 28.738 -0.100 0.000 0.907 188 Q HN 0.186 nan 8.270 nan 0.000 0.433 189 A N 0.678 123.331 122.820 -0.278 0.000 1.873 189 A HA -0.129 4.179 4.320 -0.020 0.000 0.215 189 A C 2.037 179.098 177.584 -0.871 0.000 1.186 189 A CA 0.972 52.673 52.037 -0.559 0.000 0.616 189 A CB -0.628 18.143 19.000 -0.382 0.000 0.823 189 A HN 0.290 nan 8.150 nan 0.000 0.442 190 L N -0.466 120.515 121.223 -0.403 0.000 2.046 190 L HA -0.219 4.109 4.340 -0.020 0.000 0.208 190 L C 2.674 179.450 176.870 -0.157 0.000 1.077 190 L CA 1.928 56.652 54.840 -0.193 0.000 0.747 190 L CB -0.493 41.533 42.059 -0.053 0.000 0.896 190 L HN 0.470 nan 8.230 nan 0.000 0.432 191 K N -0.101 120.207 120.400 -0.153 0.000 2.009 191 K HA -0.284 4.024 4.320 -0.020 0.000 0.210 191 K C 2.358 178.907 176.600 -0.084 0.000 1.049 191 K CA 2.151 58.386 56.287 -0.087 0.000 0.929 191 K CB -0.402 32.055 32.500 -0.071 0.000 0.714 191 K HN 0.412 nan 8.250 nan 0.000 0.440 192 c N 0.972 119.463 118.600 -0.182 0.000 2.411 192 c HA -0.120 4.438 4.570 -0.020 0.000 0.279 192 c C 2.405 176.517 174.090 0.037 0.000 1.288 192 c CA 0.524 56.791 56.329 -0.103 0.000 1.764 192 c CB -1.226 41.190 42.510 -0.157 0.000 1.974 192 c HN 0.537 nan 8.230 nan 0.000 0.498 193 Y N 0.520 120.834 120.300 0.024 0.000 2.571 193 Y HA 0.081 4.616 4.550 -0.024 0.000 0.294 193 Y C 2.549 178.471 175.900 0.036 0.000 1.141 193 Y CA 0.793 58.901 58.100 0.013 0.000 1.308 193 Y CB -0.838 37.582 38.460 -0.068 0.000 1.002 193 Y HN 0.542 nan 8.280 nan 0.000 0.551 194 Q N -0.564 119.328 119.800 0.153 0.000 2.194 194 Q HA 0.066 4.395 4.340 -0.020 0.000 0.214 194 Q C -0.453 175.606 176.000 0.098 0.000 0.838 194 Q CA 0.008 55.880 55.803 0.115 0.000 0.972 194 Q CB 0.627 29.413 28.738 0.081 0.000 1.131 194 Q HN 0.177 nan 8.270 nan 0.000 0.498 195 D N 1.096 121.559 120.400 0.106 0.000 2.427 195 D HA 0.172 4.800 4.640 -0.020 0.000 0.226 195 D C -1.924 174.463 176.300 0.146 0.000 1.076 195 D CA -2.255 51.808 54.000 0.105 0.000 0.849 195 D CB 1.738 42.589 40.800 0.085 0.000 1.052 195 D HN -0.161 nan 8.370 nan 0.000 0.515 196 P HA 0.019 nan 4.420 nan 0.000 0.221 196 P C 1.152 178.602 177.300 0.251 0.000 1.145 196 P CA 0.640 63.858 63.100 0.196 0.000 0.795 196 P CB 0.343 32.140 31.700 0.161 0.000 0.775 197 G N -1.818 107.100 108.800 0.197 0.000 2.985 197 G HA2 -0.051 3.898 3.960 -0.020 0.000 0.209 197 G HA3 -0.051 3.898 3.960 -0.020 0.000 0.209 197 G C -0.094 174.959 174.900 0.254 0.000 1.165 197 G CA -0.007 45.223 45.100 0.218 0.000 0.776 197 G HN 0.369 nan 8.290 nan 0.000 0.541 198 c N 0.583 119.315 118.600 0.219 0.000 2.251 198 c HA 0.578 5.136 4.570 -0.020 0.000 0.323 198 c C 0.816 175.014 174.090 0.180 0.000 1.241 198 c CA -1.069 55.377 56.329 0.195 0.000 1.601 198 c CB -0.498 42.095 42.510 0.138 0.000 2.251 198 c HN 0.240 nan 8.230 nan 0.000 0.488 199 c N 6.124 124.821 118.600 0.161 0.000 2.513 199 c HA 0.355 4.913 4.570 -0.020 0.000 0.281 199 c C 0.043 174.228 174.090 0.159 0.000 1.501 199 c CA -0.508 55.822 56.329 0.003 0.000 1.749 199 c CB -2.174 40.027 42.510 -0.514 0.000 2.955 199 c HN 0.917 nan 8.230 nan 0.000 0.532 200 D N 0.795 121.318 120.400 0.206 0.000 2.350 200 D HA 0.142 4.770 4.640 -0.020 0.000 0.249 200 D C -0.247 176.218 176.300 0.275 0.000 1.119 200 D CA 0.122 54.259 54.000 0.228 0.000 0.886 200 D CB 0.454 41.352 40.800 0.163 0.000 1.195 200 D HN 0.381 nan 8.370 nan 0.000 0.437 201 F N 3.088 123.067 119.950 0.049 0.000 2.560 201 F HA 0.191 4.711 4.527 -0.011 0.000 0.338 201 F C -0.511 175.355 175.800 0.109 0.000 1.201 201 F CA -0.914 57.056 58.000 -0.050 0.000 1.291 201 F CB -0.060 38.821 39.000 -0.198 0.000 1.627 201 F HN -0.019 nan 8.300 nan 0.000 0.588 202 V N 2.870 122.838 119.914 0.090 0.000 2.387 202 V HA 0.253 4.361 4.120 -0.020 0.000 0.260 202 V C 0.626 176.744 176.094 0.041 0.000 1.054 202 V CA -0.225 62.078 62.300 0.005 0.000 0.967 202 V CB 0.009 31.825 31.823 -0.011 0.000 1.036 202 V HN 0.623 nan 8.190 nan 0.000 0.481 203 T N 1.752 116.245 114.554 -0.102 0.000 2.936 203 T HA 0.514 4.852 4.350 -0.020 0.000 0.282 203 T C 0.020 174.729 174.700 0.015 0.000 1.003 203 T CA -0.825 61.244 62.100 -0.051 0.000 1.005 203 T CB 1.517 70.297 68.868 -0.146 0.000 1.097 203 T HN 0.739 nan 8.240 nan 0.000 0.532 204 N N 0.374 119.102 118.700 0.047 0.000 2.381 204 N HA 0.266 4.994 4.740 -0.020 0.000 0.254 204 N C 0.939 176.482 175.510 0.056 0.000 1.264 204 N CA -0.843 52.227 53.050 0.033 0.000 0.942 204 N CB 0.591 39.091 38.487 0.022 0.000 1.190 204 N HN 0.648 nan 8.380 nan 0.000 0.495 205 R N -0.437 120.063 120.500 -0.000 0.000 2.090 205 R HA -0.003 4.325 4.340 -0.020 0.000 0.228 205 R C 1.989 178.287 176.300 -0.003 0.000 1.110 205 R CA 1.318 57.396 56.100 -0.037 0.000 0.973 205 R CB -0.585 29.646 30.300 -0.116 0.000 0.869 205 R HN 0.748 nan 8.270 nan 0.000 0.440 206 A N 0.507 123.340 122.820 0.021 0.000 1.865 206 A HA -0.245 4.063 4.320 -0.020 0.000 0.217 206 A C 1.999 179.637 177.584 0.090 0.000 1.191 206 A CA 1.386 53.441 52.037 0.031 0.000 0.623 206 A CB -0.833 18.176 19.000 0.016 0.000 0.826 206 A HN 0.463 nan 8.150 nan 0.000 0.444 207 Y N 0.566 120.901 120.300 0.059 0.000 2.181 207 Y HA -0.083 4.452 4.550 -0.025 0.000 0.288 207 Y C 2.646 178.626 175.900 0.134 0.000 1.146 207 Y CA 1.297 59.476 58.100 0.131 0.000 1.164 207 Y CB -0.466 38.116 38.460 0.202 0.000 0.982 207 Y HN 0.325 nan 8.280 nan 0.000 0.515 208 A N 0.533 123.483 122.820 0.217 0.000 1.865 208 A HA -0.202 4.106 4.320 -0.020 0.000 0.217 208 A C 2.264 179.893 177.584 0.076 0.000 1.191 208 A CA 2.209 54.346 52.037 0.166 0.000 0.623 208 A CB -1.181 17.904 19.000 0.141 0.000 0.826 208 A HN 0.564 nan 8.150 nan 0.000 0.444 209 I N -0.325 120.271 120.570 0.044 0.000 2.179 209 I HA -0.260 3.898 4.170 -0.020 0.000 0.242 209 I C 2.970 179.101 176.117 0.023 0.000 1.088 209 I CA 1.090 62.419 61.300 0.050 0.000 1.357 209 I CB -0.364 37.647 38.000 0.018 0.000 1.051 209 I HN 0.357 nan 8.210 nan 0.000 0.409 210 A N 0.739 123.536 122.820 -0.038 0.000 1.873 210 A HA -0.217 4.091 4.320 -0.020 0.000 0.215 210 A C 2.522 180.038 177.584 -0.113 0.000 1.186 210 A CA 2.243 54.241 52.037 -0.065 0.000 0.616 210 A CB -0.875 18.086 19.000 -0.065 0.000 0.823 210 A HN 0.517 nan 8.150 nan 0.000 0.442 211 S N -0.582 114.958 115.700 -0.267 0.000 2.387 211 S HA -0.104 4.355 4.470 -0.020 0.000 0.226 211 S C 2.058 176.606 174.600 -0.087 0.000 1.026 211 S CA 1.509 59.543 58.200 -0.276 0.000 0.972 211 S CB -0.682 62.152 63.200 -0.610 0.000 0.814 211 S HN 0.415 nan 8.310 nan 0.000 0.477 212 S N 2.319 118.034 115.700 0.024 0.000 2.353 212 S HA 0.004 4.462 4.470 -0.020 0.000 0.222 212 S C 1.814 176.481 174.600 0.112 0.000 1.035 212 S CA 1.654 59.903 58.200 0.082 0.000 1.025 212 S CB -0.630 62.774 63.200 0.341 0.000 0.902 212 S HN 0.532 nan 8.310 nan 0.000 0.440 213 I N 0.860 121.541 120.570 0.185 0.000 2.179 213 I HA -0.197 3.961 4.170 -0.020 0.000 0.242 213 I C 2.078 178.212 176.117 0.029 0.000 1.088 213 I CA 1.391 62.788 61.300 0.161 0.000 1.357 213 I CB -0.324 37.719 38.000 0.073 0.000 1.051 213 I HN 0.237 nan 8.210 nan 0.000 0.409 214 I N 0.035 120.591 120.570 -0.024 0.000 2.333 214 I HA -0.217 3.941 4.170 -0.020 0.000 0.246 214 I C 2.637 178.699 176.117 -0.093 0.000 1.106 214 I CA 1.458 62.726 61.300 -0.053 0.000 1.411 214 I CB -0.174 37.802 38.000 -0.040 0.000 1.082 214 I HN 0.260 nan 8.210 nan 0.000 0.420 215 S N -0.530 115.100 115.700 -0.118 0.000 2.478 215 S HA -0.008 4.451 4.470 -0.020 0.000 0.222 215 S C 1.528 176.003 174.600 -0.208 0.000 1.008 215 S CA 0.305 58.412 58.200 -0.154 0.000 0.928 215 S CB -0.052 63.066 63.200 -0.136 0.000 0.781 215 S HN 0.464 nan 8.310 nan 0.000 0.518 216 F N -0.262 119.391 119.950 -0.496 0.000 2.347 216 F HA 0.382 4.897 4.527 -0.021 0.000 0.266 216 F C 1.519 177.049 175.800 -0.451 0.000 0.884 216 F CA -0.362 57.230 58.000 -0.681 0.000 1.123 216 F CB -0.316 37.755 39.000 -1.549 0.000 1.098 216 F HN 0.005 nan 8.300 nan 0.000 0.803 217 Y N 1.331 121.470 120.300 -0.267 0.000 2.145 217 Y HA -0.158 4.379 4.550 -0.020 0.000 0.286 217 Y C 2.419 178.154 175.900 -0.276 0.000 1.145 217 Y CA 2.144 60.080 58.100 -0.274 0.000 1.148 217 Y CB -0.792 37.635 38.460 -0.055 0.000 0.981 217 Y HN 0.083 nan 8.280 nan 0.000 0.507 218 I N 0.012 120.549 120.570 -0.056 0.000 2.127 218 I HA -0.244 3.915 4.170 -0.020 0.000 0.241 218 I C -0.562 175.459 176.117 -0.159 0.000 1.075 218 I CA 1.301 62.544 61.300 -0.095 0.000 1.334 218 I CB -1.609 36.343 38.000 -0.079 0.000 1.040 218 I HN 0.143 nan 8.210 nan 0.000 0.405 219 P HA -0.173 nan 4.420 nan 0.000 0.219 219 P C 1.777 178.912 177.300 -0.274 0.000 1.146 219 P CA 1.132 64.089 63.100 -0.238 0.000 0.808 219 P CB 0.022 31.559 31.700 -0.271 0.000 0.779 220 L N -1.098 119.894 121.223 -0.385 0.000 2.056 220 L HA -0.113 4.215 4.340 -0.020 0.000 0.207 220 L C 2.187 178.951 176.870 -0.177 0.000 1.078 220 L CA 1.683 56.300 54.840 -0.372 0.000 0.749 220 L CB -1.184 40.501 42.059 -0.623 0.000 0.901 220 L HN -0.131 nan 8.230 nan 0.000 0.433 221 L N -1.046 120.100 121.223 -0.128 0.000 2.017 221 L HA -0.252 4.076 4.340 -0.020 0.000 0.208 221 L C 2.495 179.347 176.870 -0.030 0.000 1.073 221 L CA 1.585 56.389 54.840 -0.061 0.000 0.745 221 L CB -0.519 41.499 42.059 -0.068 0.000 0.894 221 L HN 0.266 nan 8.230 nan 0.000 0.432 222 I N -0.749 119.782 120.570 -0.065 0.000 2.163 222 I HA -0.372 3.786 4.170 -0.020 0.000 0.243 222 I C 2.690 178.815 176.117 0.013 0.000 1.085 222 I CA 1.572 62.859 61.300 -0.022 0.000 1.347 222 I CB -0.237 37.717 38.000 -0.076 0.000 1.044 222 I HN 0.333 nan 8.210 nan 0.000 0.408 223 M N 0.682 120.244 119.600 -0.063 0.000 2.086 223 M HA -0.221 4.247 4.480 -0.020 0.000 0.261 223 M C 2.422 178.701 176.300 -0.036 0.000 1.067 223 M CA 2.022 57.279 55.300 -0.073 0.000 1.116 223 M CB -0.100 32.423 32.600 -0.129 0.000 1.348 223 M HN 0.142 nan 8.290 nan 0.000 0.407 224 I N -0.065 120.492 120.570 -0.021 0.000 2.099 224 I HA -0.354 3.804 4.170 -0.020 0.000 0.239 224 I C 2.324 178.456 176.117 0.025 0.000 1.066 224 I CA 1.711 63.011 61.300 -0.000 0.000 1.324 224 I CB -0.602 37.404 38.000 0.009 0.000 1.037 224 I HN 0.302 nan 8.210 nan 0.000 0.401 225 F N 1.311 121.215 119.950 -0.076 0.000 2.063 225 F HA -0.290 4.226 4.527 -0.019 0.000 0.298 225 F C 2.321 178.068 175.800 -0.087 0.000 1.109 225 F CA 2.044 59.997 58.000 -0.077 0.000 1.212 225 F CB -0.549 38.396 39.000 -0.091 0.000 0.973 225 F HN -0.191 nan 8.300 nan 0.000 0.480 226 V N 0.311 120.132 119.914 -0.155 0.000 2.453 226 V HA -0.202 3.906 4.120 -0.020 0.000 0.247 226 V C 2.692 178.687 176.094 -0.165 0.000 1.048 226 V CA 1.513 63.649 62.300 -0.274 0.000 1.049 226 V CB -1.438 30.302 31.823 -0.138 0.000 0.672 226 V HN 0.515 nan 8.190 nan 0.000 0.457 227 A N -0.242 122.524 122.820 -0.090 0.000 2.015 227 A HA -0.084 4.224 4.320 -0.020 0.000 0.219 227 A C 2.170 179.739 177.584 -0.024 0.000 1.163 227 A CA 1.387 53.401 52.037 -0.038 0.000 0.646 227 A CB -0.416 18.566 19.000 -0.031 0.000 0.806 227 A HN 0.515 nan 8.150 nan 0.000 0.448 228 L N -1.345 119.829 121.223 -0.082 0.000 2.217 228 L HA -0.084 4.244 4.340 -0.020 0.000 0.211 228 L C 2.790 179.651 176.870 -0.015 0.000 1.107 228 L CA 0.602 55.412 54.840 -0.050 0.000 0.783 228 L CB -0.435 41.565 42.059 -0.097 0.000 0.919 228 L HN 0.295 nan 8.230 nan 0.000 0.442 229 R N -0.107 120.316 120.500 -0.129 0.000 2.073 229 R HA -0.067 4.261 4.340 -0.020 0.000 0.229 229 R C 2.260 178.643 176.300 0.138 0.000 1.120 229 R CA 1.046 57.122 56.100 -0.039 0.000 0.967 229 R CB -0.659 29.507 30.300 -0.223 0.000 0.862 229 R HN 0.214 nan 8.270 nan 0.000 0.436 230 V N 0.688 120.694 119.914 0.154 0.000 2.287 230 V HA -0.299 3.810 4.120 -0.020 0.000 0.248 230 V C 2.134 178.247 176.094 0.031 0.000 1.053 230 V CA 1.904 64.260 62.300 0.093 0.000 1.027 230 V CB -0.816 31.050 31.823 0.072 0.000 0.646 230 V HN 0.242 nan 8.190 nan 0.000 0.447 231 Y N 1.268 121.533 120.300 -0.059 0.000 2.070 231 Y HA -0.281 4.258 4.550 -0.019 0.000 0.280 231 Y C 2.802 178.667 175.900 -0.059 0.000 1.148 231 Y CA 2.037 60.093 58.100 -0.073 0.000 1.125 231 Y CB -0.364 38.062 38.460 -0.056 0.000 0.975 231 Y HN 0.042 nan 8.280 nan 0.000 0.492 232 R N -0.047 120.478 120.500 0.041 0.000 2.134 232 R HA -0.227 4.102 4.340 -0.020 0.000 0.248 232 R C 2.094 178.338 176.300 -0.094 0.000 1.143 232 R CA 1.864 57.943 56.100 -0.036 0.000 0.957 232 R CB -0.322 30.000 30.300 0.035 0.000 0.867 232 R HN 0.402 nan 8.270 nan 0.000 0.441 233 E N 0.058 120.214 120.200 -0.075 0.000 2.106 233 E HA -0.117 4.222 4.350 -0.020 0.000 0.192 233 E C 1.958 178.489 176.600 -0.115 0.000 0.984 233 E CA 1.287 57.630 56.400 -0.095 0.000 0.806 233 E CB -0.253 29.370 29.700 -0.128 0.000 0.750 233 E HN 0.377 nan 8.360 nan 0.000 0.458 234 A N 1.335 124.047 122.820 -0.181 0.000 1.933 234 A HA -0.167 4.141 4.320 -0.020 0.000 0.218 234 A C 2.129 179.648 177.584 -0.107 0.000 1.175 234 A CA 1.404 53.300 52.037 -0.235 0.000 0.628 234 A CB -0.306 18.369 19.000 -0.542 0.000 0.814 234 A HN 0.068 nan 8.150 nan 0.000 0.444 235 K N -0.623 119.634 120.400 -0.239 0.000 2.148 235 K HA -0.099 4.209 4.320 -0.020 0.000 0.204 235 K C 1.893 178.444 176.600 -0.080 0.000 1.050 235 K CA 1.126 57.299 56.287 -0.190 0.000 0.942 235 K CB -0.084 32.227 32.500 -0.314 0.000 0.724 235 K HN 0.554 nan 8.250 nan 0.000 0.446 236 E N 0.527 120.684 120.200 -0.072 0.000 2.268 236 E HA -0.165 4.173 4.350 -0.020 0.000 0.195 236 E C 1.590 178.177 176.600 -0.022 0.000 0.995 236 E CA 0.901 57.276 56.400 -0.041 0.000 0.836 236 E CB 0.238 29.914 29.700 -0.040 0.000 0.763 236 E HN 0.396 nan 8.360 nan 0.000 0.491 237 Q N -0.134 119.666 119.800 -0.001 0.000 2.389 237 Q HA -0.068 4.260 4.340 -0.020 0.000 0.204 237 Q C 1.962 177.954 176.000 -0.014 0.000 0.944 237 Q CA 0.546 56.354 55.803 0.009 0.000 0.908 237 Q CB -0.015 28.758 28.738 0.058 0.000 1.002 237 Q HN 0.339 nan 8.270 nan 0.000 0.493 238 I N -2.727 117.841 120.570 -0.003 0.000 3.684 238 I HA 0.090 4.248 4.170 -0.020 0.000 0.304 238 I C 0.743 176.840 176.117 -0.032 0.000 1.278 238 I CA 0.002 61.280 61.300 -0.036 0.000 1.272 238 I CB -0.021 37.969 38.000 -0.017 0.000 1.029 238 I HN -0.152 nan 8.210 nan 0.000 0.458 239 R N 2.670 123.155 120.500 -0.025 0.000 2.570 239 R HA 0.065 4.393 4.340 -0.020 0.000 0.277 239 R C 0.355 176.641 176.300 -0.024 0.000 1.039 239 R CA 0.307 56.394 56.100 -0.021 0.000 1.065 239 R CB 0.267 30.557 30.300 -0.017 0.000 0.964 239 R HN 0.351 nan 8.270 nan 0.000 0.428 240 K N 1.361 121.748 120.400 -0.021 0.000 3.547 240 K HA -0.260 4.048 4.320 -0.020 0.000 0.309 240 K C 1.116 177.698 176.600 -0.029 0.000 1.324 240 K CA 1.215 57.489 56.287 -0.022 0.000 0.988 240 K CB -1.112 31.376 32.500 -0.020 0.000 1.261 240 K HN 0.652 nan 8.250 nan 0.000 0.444 241 I N 1.466 122.014 120.570 -0.037 0.000 2.439 241 I HA -0.168 3.990 4.170 -0.020 0.000 0.251 241 I C 0.854 176.948 176.117 -0.038 0.000 1.139 241 I CA 1.468 62.739 61.300 -0.050 0.000 1.438 241 I CB 0.084 38.038 38.000 -0.076 0.000 1.085 241 I HN 0.158 nan 8.210 nan 0.000 0.427 242 D N 0.964 121.347 120.400 -0.029 0.000 2.324 242 D HA 0.046 4.674 4.640 -0.020 0.000 0.235 242 D C 0.880 177.170 176.300 -0.017 0.000 1.095 242 D CA 0.197 54.185 54.000 -0.021 0.000 0.871 242 D CB -0.029 40.761 40.800 -0.016 0.000 0.906 242 D HN 0.281 nan 8.370 nan 0.000 0.522 273 S N 0.587 116.281 115.700 -0.010 0.000 2.537 273 S HA -0.008 4.450 4.470 -0.020 0.000 0.240 273 S C 1.320 175.912 174.600 -0.012 0.000 0.981 273 S CA 1.519 59.713 58.200 -0.010 0.000 0.948 273 S CB -0.236 62.958 63.200 -0.009 0.000 0.759 273 S HN 0.585 nan 8.310 nan 0.000 0.531 274 K N 0.802 121.193 120.400 -0.016 0.000 2.399 274 K HA 0.182 4.490 4.320 -0.020 0.000 0.196 274 K C 2.228 178.815 176.600 -0.022 0.000 1.103 274 K CA 0.175 56.451 56.287 -0.019 0.000 0.986 274 K CB 0.052 32.537 32.500 -0.024 0.000 0.952 274 K HN 0.467 nan 8.250 nan 0.000 0.541 275 R N 1.806 122.294 120.500 -0.021 0.000 2.170 275 R HA -0.119 4.209 4.340 -0.020 0.000 0.242 275 R C 1.920 178.208 176.300 -0.020 0.000 1.145 275 R CA 1.412 57.499 56.100 -0.021 0.000 0.984 275 R CB -0.126 30.164 30.300 -0.017 0.000 0.869 275 R HN -0.083 nan 8.270 nan 0.000 0.455 276 K N 0.045 120.435 120.400 -0.016 0.000 2.057 276 K HA -0.061 4.247 4.320 -0.020 0.000 0.206 276 K C 0.852 177.443 176.600 -0.016 0.000 1.050 276 K CA 2.022 58.301 56.287 -0.014 0.000 0.935 276 K CB 0.223 32.716 32.500 -0.011 0.000 0.715 276 K HN 0.384 nan 8.250 nan 0.000 0.439 277 T N -1.502 113.041 114.554 -0.018 0.000 3.176 277 T HA 0.066 4.404 4.350 -0.020 0.000 0.259 277 T C 1.850 176.534 174.700 -0.026 0.000 0.978 277 T CA 0.077 62.166 62.100 -0.019 0.000 1.050 277 T CB -0.013 68.846 68.868 -0.015 0.000 1.136 277 T HN 0.003 nan 8.240 nan 0.000 0.465 278 S N 1.492 117.176 115.700 -0.027 0.000 2.374 278 S HA -0.159 4.299 4.470 -0.020 0.000 0.227 278 S C 2.084 176.653 174.600 -0.052 0.000 1.037 278 S CA 1.452 59.631 58.200 -0.035 0.000 1.024 278 S CB -0.203 62.977 63.200 -0.032 0.000 0.861 278 S HN 0.345 nan 8.310 nan 0.000 0.456 279 R N 0.562 121.032 120.500 -0.050 0.000 2.093 279 R HA -0.011 4.317 4.340 -0.020 0.000 0.224 279 R C 2.054 178.314 176.300 -0.067 0.000 1.101 279 R CA 1.069 57.130 56.100 -0.065 0.000 0.979 279 R CB -0.247 30.023 30.300 -0.050 0.000 0.877 279 R HN 0.283 nan 8.270 nan 0.000 0.441 280 V N 1.235 121.122 119.914 -0.046 0.000 2.358 280 V HA -0.248 3.860 4.120 -0.020 0.000 0.246 280 V C 2.469 178.538 176.094 -0.041 0.000 1.047 280 V CA 1.419 63.697 62.300 -0.037 0.000 1.035 280 V CB -0.307 31.502 31.823 -0.024 0.000 0.658 280 V HN 0.331 nan 8.190 nan 0.000 0.452 281 M N -0.892 118.682 119.600 -0.042 0.000 2.175 281 M HA -0.095 4.373 4.480 -0.020 0.000 0.264 281 M C 2.179 178.445 176.300 -0.057 0.000 1.063 281 M CA 1.662 56.938 55.300 -0.040 0.000 1.119 281 M CB -1.183 31.396 32.600 -0.035 0.000 1.377 281 M HN 0.342 nan 8.290 nan 0.000 0.415 282 L N 0.064 121.228 121.223 -0.098 0.000 2.156 282 L HA -0.067 4.261 4.340 -0.020 0.000 0.208 282 L C 2.276 178.997 176.870 -0.248 0.000 1.095 282 L CA 1.221 55.947 54.840 -0.189 0.000 0.770 282 L CB -0.354 41.553 42.059 -0.254 0.000 0.914 282 L HN 0.142 nan 8.230 nan 0.000 0.439 283 M N -1.120 118.388 119.600 -0.154 0.000 2.175 283 M HA -0.159 4.309 4.480 -0.020 0.000 0.264 283 M C 2.396 178.693 176.300 -0.006 0.000 1.063 283 M CA 1.359 56.607 55.300 -0.087 0.000 1.119 283 M CB -1.092 31.476 32.600 -0.052 0.000 1.377 283 M HN 0.250 nan 8.290 nan 0.000 0.415 284 R N 0.237 120.733 120.500 -0.006 0.000 2.081 284 R HA -0.152 4.176 4.340 -0.020 0.000 0.235 284 R C 1.990 178.319 176.300 0.048 0.000 1.131 284 R CA 1.494 57.606 56.100 0.020 0.000 0.960 284 R CB 0.006 30.309 30.300 0.005 0.000 0.856 284 R HN 0.462 nan 8.270 nan 0.000 0.436 285 E N -1.104 119.129 120.200 0.056 0.000 2.072 285 E HA -0.164 4.175 4.350 -0.020 0.000 0.191 285 E C 1.850 178.556 176.600 0.177 0.000 0.985 285 E CA 0.989 57.448 56.400 0.099 0.000 0.801 285 E CB -0.060 29.700 29.700 0.099 0.000 0.750 285 E HN 0.567 nan 8.360 nan 0.000 0.452 286 H N -0.018 119.047 119.070 -0.008 0.000 2.491 286 H HA -0.051 4.493 4.556 -0.019 0.000 0.290 286 H C 2.061 177.402 175.328 0.021 0.000 1.050 286 H CA 0.673 56.721 56.048 0.000 0.000 1.309 286 H CB 0.252 30.007 29.762 -0.011 0.000 1.392 286 H HN 0.004 nan 8.280 nan 0.000 0.554 287 K N 0.880 121.366 120.400 0.143 0.000 2.025 287 K HA -0.074 4.234 4.320 -0.020 0.000 0.207 287 K C 2.449 179.101 176.600 0.087 0.000 1.049 287 K CA 0.896 57.242 56.287 0.098 0.000 0.933 287 K CB 0.025 32.572 32.500 0.078 0.000 0.714 287 K HN 0.152 nan 8.250 nan 0.000 0.438 288 A N 1.264 124.133 122.820 0.082 0.000 1.902 288 A HA -0.133 4.175 4.320 -0.020 0.000 0.217 288 A C 2.083 179.706 177.584 0.065 0.000 1.181 288 A CA 1.150 53.232 52.037 0.075 0.000 0.623 288 A CB -0.609 18.430 19.000 0.065 0.000 0.818 288 A HN 0.275 nan 8.150 nan 0.000 0.443 289 L N -0.775 120.475 121.223 0.046 0.000 2.046 289 L HA -0.213 4.115 4.340 -0.020 0.000 0.208 289 L C 2.679 179.571 176.870 0.038 0.000 1.077 289 L CA 2.008 56.859 54.840 0.019 0.000 0.747 289 L CB -0.470 41.558 42.059 -0.051 0.000 0.896 289 L HN 0.467 nan 8.230 nan 0.000 0.432 290 K N -0.539 119.891 120.400 0.050 0.000 2.103 290 K HA -0.171 4.137 4.320 -0.020 0.000 0.207 290 K C 1.948 178.592 176.600 0.072 0.000 1.048 290 K CA 1.779 58.105 56.287 0.065 0.000 0.930 290 K CB 0.035 32.580 32.500 0.075 0.000 0.716 290 K HN 0.280 nan 8.250 nan 0.000 0.444 291 T N 1.751 116.355 114.554 0.083 0.000 2.708 291 T HA -0.117 4.221 4.350 -0.020 0.000 0.266 291 T C 1.771 176.539 174.700 0.113 0.000 1.037 291 T CA 1.230 63.391 62.100 0.103 0.000 1.146 291 T CB -0.133 68.810 68.868 0.125 0.000 0.865 291 T HN 0.160 nan 8.240 nan 0.000 0.435 292 L N 0.716 122.001 121.223 0.103 0.000 2.083 292 L HA -0.020 4.308 4.340 -0.020 0.000 0.209 292 L C 3.035 179.949 176.870 0.074 0.000 1.083 292 L CA 1.352 56.251 54.840 0.099 0.000 0.752 292 L CB -1.071 41.035 42.059 0.078 0.000 0.899 292 L HN 0.363 nan 8.230 nan 0.000 0.433 293 G N 0.377 109.213 108.800 0.060 0.000 2.422 293 G HA2 -0.215 3.733 3.960 -0.020 0.000 0.218 293 G HA3 -0.215 3.733 3.960 -0.020 0.000 0.218 293 G C 1.590 176.521 174.900 0.052 0.000 1.146 293 G CA 0.687 45.815 45.100 0.047 0.000 0.769 293 G HN 0.284 nan 8.290 nan 0.000 0.547 294 I N 0.772 121.379 120.570 0.060 0.000 2.202 294 I HA -0.120 4.038 4.170 -0.020 0.000 0.242 294 I C 2.544 178.701 176.117 0.067 0.000 1.091 294 I CA 0.409 61.742 61.300 0.056 0.000 1.368 294 I CB -0.160 37.870 38.000 0.050 0.000 1.058 294 I HN 0.043 nan 8.210 nan 0.000 0.410 295 I N 0.556 121.172 120.570 0.076 0.000 2.185 295 I HA -0.341 3.817 4.170 -0.020 0.000 0.246 295 I C 2.540 178.732 176.117 0.126 0.000 1.088 295 I CA 2.162 63.517 61.300 0.091 0.000 1.347 295 I CB -0.889 37.183 38.000 0.121 0.000 1.041 295 I HN 0.318 nan 8.210 nan 0.000 0.415 296 M N -0.317 119.339 119.600 0.094 0.000 2.200 296 M HA -0.044 4.424 4.480 -0.020 0.000 0.265 296 M C 2.277 178.667 176.300 0.150 0.000 1.066 296 M CA 1.736 57.091 55.300 0.092 0.000 1.127 296 M CB -0.745 31.872 32.600 0.028 0.000 1.379 296 M HN 0.264 nan 8.290 nan 0.000 0.420 297 G N -0.389 108.477 108.800 0.109 0.000 2.421 297 G HA2 -0.081 3.867 3.960 -0.020 0.000 0.217 297 G HA3 -0.081 3.867 3.960 -0.020 0.000 0.217 297 G C 1.488 176.462 174.900 0.123 0.000 1.143 297 G CA 0.460 45.620 45.100 0.101 0.000 0.784 297 G HN 0.278 nan 8.290 nan 0.000 0.541 298 V N 0.281 120.271 119.914 0.126 0.000 2.323 298 V HA -0.055 4.053 4.120 -0.020 0.000 0.244 298 V C 2.263 178.448 176.094 0.153 0.000 1.041 298 V CA 1.524 63.886 62.300 0.104 0.000 1.025 298 V CB -0.633 31.232 31.823 0.069 0.000 0.656 298 V HN 0.357 nan 8.190 nan 0.000 0.451 299 F N 1.652 121.666 119.950 0.106 0.000 2.087 299 F HA -0.304 4.211 4.527 -0.020 0.000 0.299 299 F C 2.454 178.420 175.800 0.278 0.000 1.100 299 F CA 2.551 60.678 58.000 0.211 0.000 1.226 299 F CB -0.662 38.459 39.000 0.202 0.000 0.983 299 F HN 0.160 nan 8.300 nan 0.000 0.479 300 T N 1.380 116.201 114.554 0.445 0.000 2.684 300 T HA -0.212 4.126 4.350 -0.020 0.000 0.267 300 T C 2.133 176.948 174.700 0.192 0.000 1.036 300 T CA 1.829 64.141 62.100 0.353 0.000 1.148 300 T CB -0.642 68.374 68.868 0.247 0.000 0.863 300 T HN 0.269 nan 8.240 nan 0.000 0.436 301 L N 0.334 121.616 121.223 0.099 0.000 2.131 301 L HA -0.098 4.231 4.340 -0.020 0.000 0.210 301 L C 2.797 179.620 176.870 -0.077 0.000 1.092 301 L CA 0.803 55.652 54.840 0.015 0.000 0.759 301 L CB -0.624 41.441 42.059 0.010 0.000 0.903 301 L HN 0.401 nan 8.230 nan 0.000 0.435 302 C N -1.701 117.517 119.300 -0.138 0.000 2.457 302 C HA -0.131 4.317 4.460 -0.020 0.000 0.278 302 C C 2.300 176.973 174.990 -0.529 0.000 1.309 302 C CA 0.315 59.116 59.018 -0.361 0.000 1.735 302 C CB -0.950 26.505 27.740 -0.475 0.000 1.992 302 C HN 0.663 nan 8.230 nan 0.000 0.493 303 W N -0.830 120.308 121.300 -0.271 0.000 2.808 303 W HA 0.252 4.900 4.660 -0.021 0.000 0.266 303 W C 2.131 178.503 176.519 -0.245 0.000 1.247 303 W CA -0.410 56.750 57.345 -0.307 0.000 1.440 303 W CB -0.403 28.855 29.460 -0.337 0.000 1.040 303 W HN 0.037 nan 8.180 nan 0.000 0.606 304 L N 1.965 123.283 121.223 0.158 0.000 2.042 304 L HA -0.085 4.243 4.340 -0.020 0.000 0.210 304 L C -0.755 176.061 176.870 -0.090 0.000 1.076 304 L CA 2.273 57.202 54.840 0.149 0.000 0.749 304 L CB -1.768 40.432 42.059 0.235 0.000 0.893 304 L HN -0.236 nan 8.230 nan 0.000 0.432 305 P HA -0.221 nan 4.420 nan 0.000 0.215 305 P C 1.730 178.665 177.300 -0.609 0.000 1.153 305 P CA 1.507 64.205 63.100 -0.670 0.000 0.853 305 P CB -0.261 30.655 31.700 -1.305 0.000 0.788 306 F N -0.538 119.048 119.950 -0.607 0.000 2.102 306 F HA -0.184 4.333 4.527 -0.017 0.000 0.298 306 F C 1.893 177.388 175.800 -0.509 0.000 1.105 306 F CA 1.547 59.219 58.000 -0.547 0.000 1.239 306 F CB -0.907 37.703 39.000 -0.650 0.000 0.991 306 F HN -0.239 nan 8.300 nan 0.000 0.474 307 F N 0.392 120.117 119.950 -0.374 0.000 2.365 307 F HA -0.120 4.393 4.527 -0.023 0.000 0.300 307 F C 2.144 177.859 175.800 -0.142 0.000 1.090 307 F CA 0.975 58.704 58.000 -0.450 0.000 1.408 307 F CB -0.818 37.660 39.000 -0.871 0.000 1.060 307 F HN 0.011 nan 8.300 nan 0.000 0.534 308 L N -1.338 119.915 121.223 0.049 0.000 2.109 308 L HA -0.155 4.173 4.340 -0.020 0.000 0.207 308 L C 2.372 179.255 176.870 0.022 0.000 1.086 308 L CA 0.550 55.459 54.840 0.116 0.000 0.760 308 L CB -0.594 41.500 42.059 0.059 0.000 0.910 308 L HN -0.065 nan 8.230 nan 0.000 0.437 309 V N 0.175 120.022 119.914 -0.111 0.000 2.358 309 V HA -0.268 3.841 4.120 -0.020 0.000 0.246 309 V C 2.260 178.339 176.094 -0.025 0.000 1.047 309 V CA 1.870 64.141 62.300 -0.047 0.000 1.035 309 V CB -0.528 31.295 31.823 -0.001 0.000 0.658 309 V HN 0.493 nan 8.190 nan 0.000 0.452 310 N N 0.383 118.933 118.700 -0.250 0.000 2.094 310 N HA -0.193 4.535 4.740 -0.020 0.000 0.191 310 N C 1.553 177.108 175.510 0.075 0.000 1.023 310 N CA 1.811 54.800 53.050 -0.101 0.000 0.857 310 N CB -0.204 38.080 38.487 -0.338 0.000 1.013 310 N HN 0.319 nan 8.380 nan 0.000 0.426 311 I N -0.117 120.526 120.570 0.121 0.000 2.286 311 I HA -0.137 4.021 4.170 -0.020 0.000 0.245 311 I C 2.089 178.346 176.117 0.234 0.000 1.104 311 I CA 0.632 62.049 61.300 0.196 0.000 1.397 311 I CB -1.146 37.001 38.000 0.245 0.000 1.072 311 I HN 0.004 nan 8.210 nan 0.000 0.417 312 V N 1.553 121.577 119.914 0.184 0.000 2.343 312 V HA -0.265 3.843 4.120 -0.020 0.000 0.247 312 V C 2.255 178.440 176.094 0.152 0.000 1.051 312 V CA 1.622 64.034 62.300 0.188 0.000 1.036 312 V CB -0.873 31.017 31.823 0.113 0.000 0.654 312 V HN 0.406 nan 8.190 nan 0.000 0.451 313 N N 0.180 118.934 118.700 0.090 0.000 2.205 313 N HA -0.143 4.585 4.740 -0.020 0.000 0.186 313 N C 1.762 177.256 175.510 -0.027 0.000 1.015 313 N CA 1.293 54.353 53.050 0.018 0.000 0.862 313 N CB -0.524 37.944 38.487 -0.032 0.000 0.986 313 N HN 0.362 nan 8.380 nan 0.000 0.429 314 V N 0.287 120.165 119.914 -0.060 0.000 2.332 314 V HA -0.208 3.900 4.120 -0.020 0.000 0.248 314 V C 1.560 177.439 176.094 -0.359 0.000 1.055 314 V CA 1.541 63.685 62.300 -0.259 0.000 1.038 314 V CB -0.521 31.056 31.823 -0.409 0.000 0.651 314 V HN 0.178 nan 8.190 nan 0.000 0.450 315 F N -1.078 118.872 119.950 -0.000 0.000 2.698 315 F HA 0.288 4.808 4.527 -0.011 0.000 0.295 315 F C 1.039 176.834 175.800 -0.007 0.000 1.124 315 F CA 0.331 58.329 58.000 -0.005 0.000 1.426 315 F CB 0.250 39.247 39.000 -0.005 0.000 1.120 315 F HN 0.142 nan 8.300 nan 0.000 0.583 316 N N 0.061 118.840 118.700 0.131 0.000 2.699 316 N HA 0.138 4.867 4.740 -0.020 0.000 0.271 316 N C 0.171 175.696 175.510 0.025 0.000 1.216 316 N CA -0.118 52.975 53.050 0.071 0.000 0.844 316 N CB 0.883 39.418 38.487 0.079 0.000 1.462 316 N HN 0.042 nan 8.380 nan 0.000 0.555 317 R N 0.599 121.097 120.500 -0.005 0.000 2.323 317 R HA 0.058 4.386 4.340 -0.020 0.000 0.198 317 R C 0.034 176.315 176.300 -0.033 0.000 0.988 317 R CA 0.516 56.596 56.100 -0.035 0.000 1.041 317 R CB 0.522 30.791 30.300 -0.052 0.000 0.926 317 R HN 0.473 nan 8.270 nan 0.000 0.476 318 D N -0.021 120.371 120.400 -0.012 0.000 2.525 318 D HA -0.040 4.588 4.640 -0.020 0.000 0.248 318 D C 1.731 178.029 176.300 -0.004 0.000 1.000 318 D CA 0.168 54.163 54.000 -0.009 0.000 0.923 318 D CB 0.129 40.929 40.800 0.000 0.000 1.101 318 D HN 0.003 nan 8.370 nan 0.000 0.493 319 L N 1.271 122.499 121.223 0.007 0.000 2.064 319 L HA -0.125 4.204 4.340 -0.020 0.000 0.216 319 L C 0.560 177.429 176.870 -0.001 0.000 1.077 319 L CA 1.422 56.269 54.840 0.013 0.000 0.766 319 L CB -0.042 42.033 42.059 0.027 0.000 0.890 319 L HN -0.213 nan 8.230 nan 0.000 0.435 320 V N 1.999 121.906 119.914 -0.012 0.000 2.347 320 V HA 0.315 4.423 4.120 -0.020 0.000 0.280 320 V C -1.974 174.060 176.094 -0.100 0.000 1.021 320 V CA -1.641 60.631 62.300 -0.048 0.000 0.847 320 V CB 0.871 32.700 31.823 0.011 0.000 0.990 320 V HN 0.161 nan 8.190 nan 0.000 0.444 321 P HA 0.028 nan 4.420 nan 0.000 0.266 321 P C 0.673 177.822 177.300 -0.252 0.000 1.195 321 P CA 0.062 63.040 63.100 -0.204 0.000 0.768 321 P CB 0.870 32.405 31.700 -0.275 0.000 0.838 322 D N 2.284 122.645 120.400 -0.066 0.000 2.170 322 D HA -0.182 4.447 4.640 -0.020 0.000 0.193 322 D C 1.703 178.052 176.300 0.082 0.000 1.004 322 D CA 1.490 55.501 54.000 0.018 0.000 0.860 322 D CB -0.145 40.702 40.800 0.079 0.000 0.931 322 D HN 0.598 nan 8.370 nan 0.000 0.448 323 W N 0.374 121.716 121.300 0.070 0.000 2.436 323 W HA -0.074 4.576 4.660 -0.017 0.000 0.284 323 W C 1.684 178.222 176.519 0.032 0.000 1.225 323 W CA -0.137 57.245 57.345 0.062 0.000 1.271 323 W CB -1.120 28.351 29.460 0.019 0.000 1.114 323 W HN -0.041 nan 8.180 nan 0.000 0.559 324 L N 0.467 121.118 121.223 -0.953 0.000 2.179 324 L HA 0.036 4.364 4.340 -0.020 0.000 0.208 324 L C 2.469 179.063 176.870 -0.461 0.000 1.096 324 L CA 1.368 55.575 54.840 -1.055 0.000 0.779 324 L CB -1.320 39.908 42.059 -1.385 0.000 0.922 324 L HN -0.080 nan 8.230 nan 0.000 0.443 325 F N -0.641 119.143 119.950 -0.277 0.000 2.051 325 F HA -0.224 4.293 4.527 -0.017 0.000 0.296 325 F C 2.229 178.096 175.800 0.113 0.000 1.122 325 F CA 2.137 60.130 58.000 -0.012 0.000 1.201 325 F CB -0.389 38.616 39.000 0.009 0.000 0.978 325 F HN -0.123 nan 8.300 nan 0.000 0.472 326 V N 0.395 120.495 119.914 0.310 0.000 2.594 326 V HA -0.284 3.824 4.120 -0.020 0.000 0.253 326 V C 2.556 178.783 176.094 0.222 0.000 1.069 326 V CA 1.514 63.983 62.300 0.282 0.000 1.082 326 V CB -1.521 30.536 31.823 0.390 0.000 0.680 326 V HN 0.507 nan 8.190 nan 0.000 0.469 327 A N -0.188 122.698 122.820 0.109 0.000 1.854 327 A HA -0.124 4.184 4.320 -0.020 0.000 0.214 327 A C 1.986 179.594 177.584 0.040 0.000 1.192 327 A CA 1.456 53.536 52.037 0.071 0.000 0.611 327 A CB -0.687 18.280 19.000 -0.056 0.000 0.832 327 A HN 0.414 nan 8.150 nan 0.000 0.442 328 F N 0.527 120.427 119.950 -0.084 0.000 2.202 328 F HA -0.158 4.356 4.527 -0.022 0.000 0.301 328 F C 2.119 177.692 175.800 -0.378 0.000 1.082 328 F CA 0.918 58.813 58.000 -0.175 0.000 1.313 328 F CB -1.163 37.758 39.000 -0.132 0.000 1.024 328 F HN 0.418 nan 8.300 nan 0.000 0.495 329 N N -1.458 117.055 118.700 -0.311 0.000 2.216 329 N HA -0.183 4.545 4.740 -0.020 0.000 0.183 329 N C 1.828 176.712 175.510 -1.044 0.000 1.017 329 N CA 0.689 53.168 53.050 -0.951 0.000 0.861 329 N CB -0.198 37.683 38.487 -1.009 0.000 0.986 329 N HN 0.190 nan 8.380 nan 0.000 0.428 330 W N 0.886 121.831 121.300 -0.592 0.000 2.388 330 W HA -0.061 4.587 4.660 -0.020 0.000 0.294 330 W C 2.045 178.333 176.519 -0.384 0.000 1.212 330 W CA 0.077 57.147 57.345 -0.458 0.000 1.271 330 W CB -0.450 28.903 29.460 -0.178 0.000 1.126 330 W HN 0.147 nan 8.180 nan 0.000 0.535 331 L N 0.898 122.029 121.223 -0.153 0.000 2.081 331 L HA -0.101 4.227 4.340 -0.020 0.000 0.212 331 L C 2.282 178.785 176.870 -0.611 0.000 1.080 331 L CA 2.494 57.187 54.840 -0.246 0.000 0.754 331 L CB -1.397 40.576 42.059 -0.143 0.000 0.893 331 L HN 0.027 nan 8.230 nan 0.000 0.433 332 G N -1.576 106.539 108.800 -1.141 0.000 2.459 332 G HA2 -0.318 3.630 3.960 -0.020 0.000 0.217 332 G HA3 -0.318 3.630 3.960 -0.020 0.000 0.217 332 G C 1.396 175.680 174.900 -1.026 0.000 1.183 332 G CA 0.923 44.652 45.100 -2.285 0.000 0.776 332 G HN 0.422 nan 8.290 nan 0.000 0.552 333 Y N 1.402 121.321 120.300 -0.634 0.000 2.207 333 Y HA -0.035 4.503 4.550 -0.019 0.000 0.287 333 Y C 3.122 178.960 175.900 -0.103 0.000 1.156 333 Y CA 0.163 58.125 58.100 -0.229 0.000 1.182 333 Y CB -1.135 37.165 38.460 -0.267 0.000 0.979 333 Y HN 0.286 nan 8.280 nan 0.000 0.521 334 A N 0.159 122.996 122.820 0.029 0.000 2.015 334 A HA -0.231 4.077 4.320 -0.020 0.000 0.219 334 A C 2.147 179.728 177.584 -0.006 0.000 1.163 334 A CA 1.525 53.589 52.037 0.045 0.000 0.646 334 A CB -1.038 17.971 19.000 0.015 0.000 0.806 334 A HN 0.524 nan 8.150 nan 0.000 0.448 335 N N 0.331 118.978 118.700 -0.087 0.000 2.258 335 N HA -0.134 4.594 4.740 -0.020 0.000 0.187 335 N C 1.414 176.969 175.510 0.076 0.000 1.012 335 N CA 1.645 54.676 53.050 -0.032 0.000 0.870 335 N CB -0.244 38.191 38.487 -0.087 0.000 0.977 335 N HN 0.307 nan 8.380 nan 0.000 0.434 336 S N -1.127 114.637 115.700 0.106 0.000 2.555 336 S HA 0.117 4.575 4.470 -0.020 0.000 0.230 336 S C 1.498 176.142 174.600 0.074 0.000 0.978 336 S CA 0.635 58.909 58.200 0.124 0.000 0.934 336 S CB -0.052 63.227 63.200 0.133 0.000 0.766 336 S HN 0.593 nan 8.310 nan 0.000 0.533 337 A N 0.393 123.240 122.820 0.045 0.000 2.197 337 A HA 0.350 4.658 4.320 -0.020 0.000 0.210 337 A C 1.798 179.369 177.584 -0.020 0.000 1.180 337 A CA 0.060 52.106 52.037 0.015 0.000 0.846 337 A CB -0.186 18.826 19.000 0.019 0.000 0.884 337 A HN 0.444 nan 8.150 nan 0.000 0.487 338 M N -0.415 119.171 119.600 -0.022 0.000 2.394 338 M HA -0.000 4.468 4.480 -0.020 0.000 0.266 338 M C 1.471 177.689 176.300 -0.136 0.000 1.098 338 M CA 0.660 55.927 55.300 -0.055 0.000 1.149 338 M CB -0.214 32.369 32.600 -0.028 0.000 1.369 338 M HN 0.274 nan 8.290 nan 0.000 0.450 339 N N 0.607 119.198 118.700 -0.182 0.000 2.142 339 N HA -0.068 4.660 4.740 -0.020 0.000 0.186 339 N C -1.011 174.058 175.510 -0.734 0.000 1.023 339 N CA 1.263 54.022 53.050 -0.485 0.000 0.852 339 N CB -1.624 36.626 38.487 -0.394 0.000 0.998 339 N HN 0.182 nan 8.380 nan 0.000 0.424 340 P HA -0.022 nan 4.420 nan 0.000 0.217 340 P C 1.371 178.614 177.300 -0.096 0.000 1.150 340 P CA 0.830 63.848 63.100 -0.136 0.000 0.832 340 P CB 0.094 31.744 31.700 -0.084 0.000 0.787 341 I N -1.126 119.372 120.570 -0.121 0.000 2.179 341 I HA -0.228 3.931 4.170 -0.020 0.000 0.242 341 I C 2.267 178.359 176.117 -0.042 0.000 1.088 341 I CA 1.466 62.733 61.300 -0.055 0.000 1.357 341 I CB -0.636 37.334 38.000 -0.050 0.000 1.051 341 I HN -0.145 nan 8.210 nan 0.000 0.409 342 I N -0.320 120.163 120.570 -0.145 0.000 2.286 342 I HA -0.301 3.857 4.170 -0.020 0.000 0.248 342 I C 2.048 178.144 176.117 -0.034 0.000 1.115 342 I CA 1.296 62.525 61.300 -0.118 0.000 1.392 342 I CB -0.458 37.439 38.000 -0.172 0.000 1.065 342 I HN 0.211 nan 8.210 nan 0.000 0.418 343 Y N -0.048 120.221 120.300 -0.052 0.000 2.639 343 Y HA -0.138 4.400 4.550 -0.020 0.000 0.297 343 Y C 2.446 178.343 175.900 -0.005 0.000 1.151 343 Y CA -0.297 57.684 58.100 -0.197 0.000 1.335 343 Y CB -1.563 36.527 38.460 -0.615 0.000 0.994 343 Y HN 0.270 nan 8.280 nan 0.000 0.548 344 C N -0.623 118.820 119.300 0.238 0.000 2.491 344 C HA -0.056 4.392 4.460 -0.020 0.000 0.277 344 C C 2.479 177.567 174.990 0.163 0.000 1.455 344 C CA 0.207 59.372 59.018 0.245 0.000 1.758 344 C CB -1.181 26.688 27.740 0.214 0.000 1.745 344 C HN 0.492 nan 8.230 nan 0.000 0.558 345 R N 0.704 121.285 120.500 0.134 0.000 2.189 345 R HA -0.058 4.270 4.340 -0.020 0.000 0.223 345 R C 1.198 177.568 176.300 0.117 0.000 1.092 345 R CA 0.732 56.898 56.100 0.110 0.000 0.989 345 R CB -0.112 30.247 30.300 0.098 0.000 0.876 345 R HN 0.417 nan 8.270 nan 0.000 0.457 346 S N 0.595 116.384 115.700 0.149 0.000 2.475 346 S HA 0.201 4.659 4.470 -0.020 0.000 0.281 346 S C -1.924 172.755 174.600 0.130 0.000 1.198 346 S CA -1.948 56.346 58.200 0.158 0.000 1.063 346 S CB 1.406 64.765 63.200 0.265 0.000 0.972 346 S HN -0.154 nan 8.310 nan 0.000 0.486 347 P HA -0.082 nan 4.420 nan 0.000 0.216 347 P C 0.829 178.133 177.300 0.006 0.000 1.150 347 P CA 1.028 64.155 63.100 0.045 0.000 0.837 347 P CB 0.102 31.820 31.700 0.029 0.000 0.786 348 D N -1.416 118.974 120.400 -0.018 0.000 2.117 348 D HA -0.132 4.496 4.640 -0.020 0.000 0.197 348 D C 1.839 177.992 176.300 -0.243 0.000 0.987 348 D CA 1.158 55.084 54.000 -0.123 0.000 0.829 348 D CB -0.584 40.120 40.800 -0.159 0.000 0.961 348 D HN 0.166 nan 8.370 nan 0.000 0.460 349 F N 1.056 120.857 119.950 -0.248 0.000 2.163 349 F HA -0.024 4.491 4.527 -0.019 0.000 0.297 349 F C 2.682 178.069 175.800 -0.689 0.000 1.094 349 F CA 0.771 58.450 58.000 -0.536 0.000 1.290 349 F CB -0.162 38.569 39.000 -0.448 0.000 1.017 349 F HN -0.218 nan 8.300 nan 0.000 0.483 350 R N 0.447 120.906 120.500 -0.068 0.000 2.083 350 R HA -0.187 4.141 4.340 -0.020 0.000 0.237 350 R C 2.150 178.485 176.300 0.059 0.000 1.137 350 R CA 1.722 57.873 56.100 0.086 0.000 0.951 350 R CB -0.153 30.223 30.300 0.126 0.000 0.851 350 R HN 0.136 nan 8.270 nan 0.000 0.434 351 K N -0.667 119.727 120.400 -0.011 0.000 2.097 351 K HA -0.050 4.258 4.320 -0.020 0.000 0.205 351 K C 1.916 178.505 176.600 -0.019 0.000 1.050 351 K CA 1.285 57.569 56.287 -0.005 0.000 0.938 351 K CB -0.011 32.474 32.500 -0.025 0.000 0.718 351 K HN 0.212 nan 8.250 nan 0.000 0.442 352 A N 0.351 123.105 122.820 -0.109 0.000 1.968 352 A HA -0.103 4.205 4.320 -0.020 0.000 0.217 352 A C 1.741 179.364 177.584 0.065 0.000 1.169 352 A CA 1.061 53.040 52.037 -0.097 0.000 0.638 352 A CB -0.502 18.354 19.000 -0.241 0.000 0.812 352 A HN 0.151 nan 8.150 nan 0.000 0.446 353 F N 0.348 120.346 119.950 0.080 0.000 2.146 353 F HA -0.055 4.460 4.527 -0.020 0.000 0.298 353 F C 2.201 178.037 175.800 0.060 0.000 1.096 353 F CA 1.367 59.421 58.000 0.091 0.000 1.275 353 F CB -0.728 38.345 39.000 0.121 0.000 1.008 353 F HN 0.155 nan 8.300 nan 0.000 0.480 354 K N -0.260 120.285 120.400 0.242 0.000 2.097 354 K HA -0.142 4.166 4.320 -0.020 0.000 0.205 354 K C 2.266 178.924 176.600 0.097 0.000 1.050 354 K CA 0.970 57.342 56.287 0.141 0.000 0.938 354 K CB -0.140 32.423 32.500 0.106 0.000 0.718 354 K HN 0.064 nan 8.250 nan 0.000 0.442 355 R N 0.739 121.288 120.500 0.083 0.000 2.115 355 R HA -0.032 4.296 4.340 -0.020 0.000 0.226 355 R C 1.943 178.281 176.300 0.063 0.000 1.100 355 R CA 0.877 57.009 56.100 0.054 0.000 0.980 355 R CB 0.031 30.347 30.300 0.027 0.000 0.875 355 R HN 0.151 nan 8.270 nan 0.000 0.445 356 L N 0.213 121.494 121.223 0.097 0.000 2.162 356 L HA -0.035 4.293 4.340 -0.020 0.000 0.205 356 L C 2.039 178.957 176.870 0.079 0.000 1.086 356 L CA 0.613 55.509 54.840 0.094 0.000 0.778 356 L CB -0.035 42.108 42.059 0.140 0.000 0.928 356 L HN 0.194 nan 8.230 nan 0.000 0.446 357 L N -0.164 121.112 121.223 0.088 0.000 2.465 357 L HA 0.068 4.397 4.340 -0.020 0.000 0.224 357 L C 1.270 178.166 176.870 0.043 0.000 1.145 357 L CA 0.246 55.121 54.840 0.058 0.000 0.834 357 L CB -0.637 41.456 42.059 0.056 0.000 0.944 357 L HN 0.333 nan 8.230 nan 0.000 0.451 358 A N 0.000 122.847 122.820 0.045 0.000 2.254 358 A HA 0.000 4.308 4.320 -0.020 0.000 0.244 358 A CA 0.000 52.057 52.037 0.033 0.000 0.836 358 A CB 0.000 19.016 19.000 0.026 0.000 0.831 358 A HN 0.000 nan 8.150 nan 0.000 0.486