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 2y00_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 0.000 177.577 177.584 -0.011 0.000 1.274 33 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 33 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 34 E N 0.514 120.711 120.200 -0.005 0.000 2.216 34 E HA 0.056 4.386 4.350 -0.033 0.000 0.192 34 E C 1.744 178.351 176.600 0.012 0.000 0.988 34 E CA 0.990 57.391 56.400 0.003 0.000 0.834 34 E CB -0.080 29.621 29.700 0.001 0.000 0.772 34 E HN 0.602 nan 8.360 nan 0.000 0.479 35 L N 0.325 121.553 121.223 0.009 0.000 2.109 35 L HA -0.143 4.177 4.340 -0.033 0.000 0.207 35 L C 2.329 179.216 176.870 0.028 0.000 1.086 35 L CA 0.278 55.127 54.840 0.015 0.000 0.760 35 L CB -0.192 41.873 42.059 0.009 0.000 0.910 35 L HN 0.174 nan 8.230 nan 0.000 0.437 36 L N -0.392 120.843 121.223 0.021 0.000 2.131 36 L HA -0.172 4.147 4.340 -0.033 0.000 0.210 36 L C 2.758 179.668 176.870 0.067 0.000 1.092 36 L CA 1.889 56.746 54.840 0.029 0.000 0.759 36 L CB -0.637 41.418 42.059 -0.007 0.000 0.903 36 L HN 0.272 nan 8.230 nan 0.000 0.435 37 S N -1.693 114.040 115.700 0.054 0.000 2.395 37 S HA -0.175 4.275 4.470 -0.033 0.000 0.225 37 S C 1.897 176.579 174.600 0.137 0.000 1.027 37 S CA 0.927 59.183 58.200 0.092 0.000 0.965 37 S CB -0.130 63.096 63.200 0.042 0.000 0.812 37 S HN 0.591 nan 8.310 nan 0.000 0.482 38 Q N 0.337 120.187 119.800 0.084 0.000 2.167 38 Q HA -0.095 4.225 4.340 -0.033 0.000 0.202 38 Q C 2.401 178.440 176.000 0.065 0.000 0.970 38 Q CA 1.371 57.212 55.803 0.064 0.000 0.855 38 Q CB -0.179 28.580 28.738 0.034 0.000 0.911 38 Q HN 0.711 nan 8.270 nan 0.000 0.438 39 Q N -0.430 119.418 119.800 0.080 0.000 2.050 39 Q HA -0.210 4.110 4.340 -0.033 0.000 0.202 39 Q C 1.672 177.726 176.000 0.090 0.000 0.980 39 Q CA 1.396 57.240 55.803 0.067 0.000 0.840 39 Q CB -0.151 28.629 28.738 0.070 0.000 0.898 39 Q HN 0.468 nan 8.270 nan 0.000 0.424 40 W N 1.452 122.733 121.300 -0.032 0.000 2.409 40 W HA -0.084 4.556 4.660 -0.034 0.000 0.299 40 W C 1.780 178.278 176.519 -0.035 0.000 1.203 40 W CA 1.453 58.776 57.345 -0.037 0.000 1.298 40 W CB 0.137 29.575 29.460 -0.037 0.000 1.127 40 W HN 0.209 nan 8.180 nan 0.000 0.528 41 E N -0.271 120.018 120.200 0.148 0.000 2.072 41 E HA -0.199 4.131 4.350 -0.033 0.000 0.191 41 E C 2.249 178.777 176.600 -0.121 0.000 0.985 41 E CA 1.298 57.700 56.400 0.003 0.000 0.801 41 E CB -0.459 29.296 29.700 0.093 0.000 0.750 41 E HN 0.305 nan 8.360 nan 0.000 0.452 42 A N 1.094 123.865 122.820 -0.082 0.000 1.897 42 A HA -0.039 4.261 4.320 -0.033 0.000 0.215 42 A C 2.416 179.913 177.584 -0.146 0.000 1.181 42 A CA 1.535 53.517 52.037 -0.091 0.000 0.620 42 A CB -0.911 18.059 19.000 -0.050 0.000 0.821 42 A HN 0.342 nan 8.150 nan 0.000 0.443 43 G N -1.012 107.676 108.800 -0.187 0.000 2.408 43 G HA2 -0.162 3.778 3.960 -0.033 0.000 0.217 43 G HA3 -0.162 3.778 3.960 -0.033 0.000 0.217 43 G C 1.477 176.189 174.900 -0.313 0.000 1.150 43 G CA 1.457 46.425 45.100 -0.220 0.000 0.776 43 G HN 0.379 nan 8.290 nan 0.000 0.542 44 M N 1.015 120.319 119.600 -0.493 0.000 2.288 44 M HA 0.175 4.635 4.480 -0.033 0.000 0.266 44 M C 2.597 178.684 176.300 -0.355 0.000 1.072 44 M CA 0.847 55.795 55.300 -0.586 0.000 1.132 44 M CB -0.209 31.732 32.600 -1.099 0.000 1.386 44 M HN 0.124 nan 8.290 nan 0.000 0.432 45 S N 0.045 115.586 115.700 -0.265 0.000 2.419 45 S HA -0.085 4.364 4.470 -0.033 0.000 0.233 45 S C 1.733 176.256 174.600 -0.128 0.000 1.016 45 S CA 1.037 59.142 58.200 -0.158 0.000 0.974 45 S CB -0.344 62.789 63.200 -0.111 0.000 0.786 45 S HN 0.443 nan 8.310 nan 0.000 0.492 46 L N 0.678 121.817 121.223 -0.141 0.000 2.102 46 L HA 0.144 4.464 4.340 -0.033 0.000 0.202 46 L C 2.015 178.820 176.870 -0.109 0.000 1.076 46 L CA 0.843 55.618 54.840 -0.108 0.000 0.761 46 L CB -0.417 41.582 42.059 -0.101 0.000 0.921 46 L HN 0.215 nan 8.230 nan 0.000 0.444 47 L N -0.720 120.415 121.223 -0.146 0.000 1.990 47 L HA -0.264 4.056 4.340 -0.033 0.000 0.213 47 L C 2.395 179.197 176.870 -0.114 0.000 1.072 47 L CA 2.060 56.816 54.840 -0.139 0.000 0.755 47 L CB -0.614 41.329 42.059 -0.193 0.000 0.889 47 L HN 0.248 nan 8.230 nan 0.000 0.432 48 M N -0.704 118.815 119.600 -0.134 0.000 2.108 48 M HA -0.156 4.304 4.480 -0.033 0.000 0.261 48 M C 2.417 178.702 176.300 -0.026 0.000 1.066 48 M CA 1.895 57.151 55.300 -0.074 0.000 1.107 48 M CB -1.878 30.680 32.600 -0.070 0.000 1.356 48 M HN 0.450 nan 8.290 nan 0.000 0.406 49 A N -0.017 122.776 122.820 -0.046 0.000 1.933 49 A HA -0.140 4.159 4.320 -0.033 0.000 0.218 49 A C 2.224 179.792 177.584 -0.026 0.000 1.175 49 A CA 1.322 53.339 52.037 -0.034 0.000 0.628 49 A CB -0.838 18.136 19.000 -0.044 0.000 0.814 49 A HN 0.431 nan 8.150 nan 0.000 0.444 50 L N 0.081 121.283 121.223 -0.034 0.000 2.017 50 L HA -0.102 4.217 4.340 -0.033 0.000 0.208 50 L C 2.350 179.215 176.870 -0.007 0.000 1.073 50 L CA 2.063 56.888 54.840 -0.026 0.000 0.745 50 L CB -0.759 41.278 42.059 -0.037 0.000 0.894 50 L HN 0.142 nan 8.230 nan 0.000 0.432 51 V N -0.821 119.097 119.914 0.006 0.000 2.282 51 V HA -0.319 3.781 4.120 -0.033 0.000 0.249 51 V C 2.573 178.698 176.094 0.052 0.000 1.057 51 V CA 1.825 64.152 62.300 0.045 0.000 1.032 51 V CB -0.782 31.100 31.823 0.098 0.000 0.645 51 V HN 0.386 nan 8.190 nan 0.000 0.447 52 V N -0.761 119.179 119.914 0.044 0.000 2.343 52 V HA -0.242 3.858 4.120 -0.033 0.000 0.247 52 V C 2.305 178.407 176.094 0.013 0.000 1.051 52 V CA 2.016 64.336 62.300 0.033 0.000 1.036 52 V CB -0.476 31.356 31.823 0.015 0.000 0.654 52 V HN 0.433 nan 8.190 nan 0.000 0.451 53 L N -1.039 120.185 121.223 0.002 0.000 2.109 53 L HA -0.071 4.249 4.340 -0.033 0.000 0.207 53 L C 2.125 178.990 176.870 -0.010 0.000 1.086 53 L CA 1.421 56.257 54.840 -0.008 0.000 0.760 53 L CB -0.355 41.695 42.059 -0.015 0.000 0.910 53 L HN 0.270 nan 8.230 nan 0.000 0.437 54 L N -0.806 120.414 121.223 -0.006 0.000 2.093 54 L HA -0.139 4.181 4.340 -0.033 0.000 0.208 54 L C 2.185 179.051 176.870 -0.007 0.000 1.085 54 L CA 1.726 56.558 54.840 -0.013 0.000 0.755 54 L CB -0.328 41.726 42.059 -0.008 0.000 0.904 54 L HN 0.197 nan 8.230 nan 0.000 0.435 55 I N -2.036 118.542 120.570 0.014 0.000 2.286 55 I HA -0.217 3.933 4.170 -0.033 0.000 0.245 55 I C 2.182 178.312 176.117 0.023 0.000 1.104 55 I CA 0.827 62.143 61.300 0.027 0.000 1.397 55 I CB -0.220 37.809 38.000 0.048 0.000 1.072 55 I HN 0.030 nan 8.210 nan 0.000 0.417 56 V N 0.730 120.654 119.914 0.015 0.000 2.346 56 V HA -0.149 3.951 4.120 -0.033 0.000 0.244 56 V C 2.671 178.768 176.094 0.005 0.000 1.037 56 V CA 1.710 64.019 62.300 0.015 0.000 1.029 56 V CB -0.843 30.985 31.823 0.009 0.000 0.663 56 V HN 0.430 nan 8.190 nan 0.000 0.454 57 A N 0.793 123.606 122.820 -0.012 0.000 1.883 57 A HA -0.134 4.166 4.320 -0.033 0.000 0.217 57 A C 2.418 179.969 177.584 -0.056 0.000 1.186 57 A CA 2.156 54.175 52.037 -0.030 0.000 0.624 57 A CB -1.376 17.599 19.000 -0.042 0.000 0.822 57 A HN 0.522 nan 8.150 nan 0.000 0.444 58 G N -0.441 108.319 108.800 -0.068 0.000 2.440 58 G HA2 -0.264 3.676 3.960 -0.033 0.000 0.218 58 G HA3 -0.264 3.676 3.960 -0.033 0.000 0.218 58 G C 1.443 176.317 174.900 -0.044 0.000 1.154 58 G CA 1.064 46.096 45.100 -0.112 0.000 0.767 58 G HN 0.567 nan 8.290 nan 0.000 0.552 59 N N 0.051 118.765 118.700 0.023 0.000 2.376 59 N HA -0.018 4.702 4.740 -0.033 0.000 0.177 59 N C 2.303 177.876 175.510 0.105 0.000 1.024 59 N CA 0.537 53.641 53.050 0.090 0.000 0.893 59 N CB 0.190 38.737 38.487 0.100 0.000 0.980 59 N HN 0.169 nan 8.380 nan 0.000 0.439 60 V N 2.117 122.072 119.914 0.068 0.000 2.343 60 V HA -0.178 3.922 4.120 -0.033 0.000 0.247 60 V C 2.460 178.620 176.094 0.110 0.000 1.051 60 V CA 1.199 63.544 62.300 0.074 0.000 1.036 60 V CB -0.460 31.390 31.823 0.044 0.000 0.654 60 V HN 0.212 nan 8.190 nan 0.000 0.451 61 L N -0.574 120.699 121.223 0.085 0.000 2.012 61 L HA -0.189 4.131 4.340 -0.033 0.000 0.210 61 L C 2.479 179.619 176.870 0.451 0.000 1.073 61 L CA 1.325 56.263 54.840 0.163 0.000 0.748 61 L CB -0.675 41.292 42.059 -0.153 0.000 0.891 61 L HN 0.201 nan 8.230 nan 0.000 0.431 62 V N 0.200 120.370 119.914 0.425 0.000 2.255 62 V HA -0.326 3.773 4.120 -0.033 0.000 0.247 62 V C 2.304 178.616 176.094 0.362 0.000 1.051 62 V CA 2.136 64.757 62.300 0.534 0.000 1.018 62 V CB -0.381 31.699 31.823 0.429 0.000 0.641 62 V HN 0.297 nan 8.190 nan 0.000 0.445 63 I N 0.476 121.191 120.570 0.241 0.000 2.163 63 I HA -0.259 3.890 4.170 -0.033 0.000 0.243 63 I C 2.624 178.824 176.117 0.139 0.000 1.085 63 I CA 1.749 63.147 61.300 0.164 0.000 1.347 63 I CB -0.602 37.469 38.000 0.119 0.000 1.044 63 I HN 0.277 nan 8.210 nan 0.000 0.408 64 A N 0.381 123.288 122.820 0.146 0.000 1.969 64 A HA -0.088 4.212 4.320 -0.033 0.000 0.218 64 A C 2.482 180.135 177.584 0.116 0.000 1.169 64 A CA 1.685 53.791 52.037 0.114 0.000 0.635 64 A CB -0.760 18.305 19.000 0.108 0.000 0.810 64 A HN 0.437 nan 8.150 nan 0.000 0.445 65 A N 0.134 123.062 122.820 0.181 0.000 1.855 65 A HA -0.042 4.258 4.320 -0.033 0.000 0.215 65 A C 2.061 179.632 177.584 -0.021 0.000 1.191 65 A CA 1.413 53.507 52.037 0.094 0.000 0.613 65 A CB -0.640 18.434 19.000 0.125 0.000 0.829 65 A HN 0.444 nan 8.150 nan 0.000 0.442 66 I N 0.056 120.639 120.570 0.022 0.000 2.315 66 I HA -0.238 3.912 4.170 -0.033 0.000 0.251 66 I C 2.353 178.447 176.117 -0.038 0.000 1.125 66 I CA 1.208 62.480 61.300 -0.047 0.000 1.392 66 I CB -0.278 37.744 38.000 0.037 0.000 1.065 66 I HN 0.415 nan 8.210 nan 0.000 0.424 67 G N -0.920 107.882 108.800 0.004 0.000 2.920 67 G HA2 -0.064 3.876 3.960 -0.033 0.000 0.208 67 G HA3 -0.064 3.876 3.960 -0.033 0.000 0.208 67 G C 1.188 176.080 174.900 -0.014 0.000 1.159 67 G CA 0.838 45.937 45.100 -0.002 0.000 0.784 67 G HN 0.516 nan 8.290 nan 0.000 0.535 68 S N -2.059 113.626 115.700 -0.026 0.000 2.700 68 S HA 0.154 4.604 4.470 -0.033 0.000 0.272 68 S C 0.240 174.811 174.600 -0.048 0.000 1.052 68 S CA -0.118 58.066 58.200 -0.026 0.000 1.317 68 S CB 0.651 63.849 63.200 -0.003 0.000 1.212 68 S HN -0.033 nan 8.310 nan 0.000 0.675 69 T N 3.336 117.841 114.554 -0.082 0.000 2.772 69 T HA 0.379 4.709 4.350 -0.033 0.000 0.288 69 T C 0.734 175.363 174.700 -0.120 0.000 0.994 69 T CA -0.568 61.464 62.100 -0.113 0.000 0.951 69 T CB 1.654 70.416 68.868 -0.178 0.000 0.933 69 T HN 0.183 nan 8.240 nan 0.000 0.447 70 Q N 2.195 121.939 119.800 -0.093 0.000 2.167 70 Q HA -0.082 4.237 4.340 -0.033 0.000 0.202 70 Q C 2.098 178.037 176.000 -0.102 0.000 0.970 70 Q CA 0.947 56.699 55.803 -0.084 0.000 0.855 70 Q CB 0.044 28.745 28.738 -0.062 0.000 0.911 70 Q HN 0.507 nan 8.270 nan 0.000 0.438 71 R N 0.666 121.094 120.500 -0.119 0.000 2.285 71 R HA -0.006 4.314 4.340 -0.033 0.000 0.213 71 R C 1.600 177.790 176.300 -0.184 0.000 1.068 71 R CA 0.374 56.395 56.100 -0.132 0.000 1.004 71 R CB 0.124 30.348 30.300 -0.126 0.000 0.873 71 R HN 0.190 nan 8.270 nan 0.000 0.467 72 L N -0.451 120.634 121.223 -0.231 0.000 2.585 72 L HA 0.128 4.448 4.340 -0.033 0.000 0.226 72 L C 0.821 177.572 176.870 -0.199 0.000 1.113 72 L CA 0.144 54.798 54.840 -0.311 0.000 0.876 72 L CB 0.313 42.069 42.059 -0.505 0.000 1.072 72 L HN 0.038 nan 8.230 nan 0.000 0.468 73 Q N 1.075 120.790 119.800 -0.140 0.000 2.380 73 Q HA 0.014 4.334 4.340 -0.033 0.000 0.254 73 Q C 0.684 176.633 176.000 -0.086 0.000 0.927 73 Q CA -0.049 55.694 55.803 -0.101 0.000 0.950 73 Q CB -0.154 28.535 28.738 -0.082 0.000 1.206 73 Q HN 0.390 nan 8.270 nan 0.000 0.414 74 T N -4.074 110.428 114.554 -0.087 0.000 2.788 74 T HA 0.177 4.507 4.350 -0.033 0.000 0.287 74 T C 1.225 175.876 174.700 -0.083 0.000 1.007 74 T CA -0.598 61.464 62.100 -0.063 0.000 1.005 74 T CB 0.800 69.641 68.868 -0.045 0.000 1.012 74 T HN 0.246 nan 8.240 nan 0.000 0.530 75 L N 0.477 121.657 121.223 -0.072 0.000 2.093 75 L HA -0.055 4.265 4.340 -0.033 0.000 0.208 75 L C 3.168 179.868 176.870 -0.284 0.000 1.085 75 L CA 1.329 56.065 54.840 -0.173 0.000 0.755 75 L CB -1.070 40.930 42.059 -0.098 0.000 0.904 75 L HN 0.831 nan 8.230 nan 0.000 0.435 76 T N -0.488 114.034 114.554 -0.054 0.000 2.759 76 T HA -0.147 4.183 4.350 -0.033 0.000 0.269 76 T C 1.610 176.329 174.700 0.032 0.000 1.042 76 T CA 1.335 63.483 62.100 0.080 0.000 1.140 76 T CB -0.246 68.707 68.868 0.142 0.000 0.864 76 T HN 0.260 nan 8.240 nan 0.000 0.455 77 N N 0.857 119.541 118.700 -0.026 0.000 2.494 77 N HA 0.144 4.863 4.740 -0.033 0.000 0.182 77 N C 1.634 177.131 175.510 -0.021 0.000 1.076 77 N CA 0.302 53.354 53.050 0.004 0.000 0.908 77 N CB -0.321 38.157 38.487 -0.015 0.000 0.967 77 N HN 0.383 nan 8.380 nan 0.000 0.449 78 L N -0.730 120.406 121.223 -0.145 0.000 2.109 78 L HA -0.058 4.262 4.340 -0.033 0.000 0.207 78 L C 1.455 178.299 176.870 -0.043 0.000 1.086 78 L CA 0.807 55.553 54.840 -0.156 0.000 0.760 78 L CB -0.343 41.535 42.059 -0.301 0.000 0.910 78 L HN 0.028 nan 8.230 nan 0.000 0.437 79 F N -0.427 119.573 119.950 0.084 0.000 2.206 79 F HA -0.156 4.351 4.527 -0.033 0.000 0.298 79 F C 2.405 178.269 175.800 0.108 0.000 1.090 79 F CA 0.553 58.610 58.000 0.095 0.000 1.323 79 F CB -0.645 38.400 39.000 0.075 0.000 1.028 79 F HN -0.061 nan 8.300 nan 0.000 0.492 80 I N -0.107 120.614 120.570 0.252 0.000 2.226 80 I HA -0.249 3.901 4.170 -0.033 0.000 0.245 80 I C 2.251 178.491 176.117 0.205 0.000 1.100 80 I CA 1.504 62.924 61.300 0.200 0.000 1.374 80 I CB -1.747 36.307 38.000 0.089 0.000 1.057 80 I HN 0.150 nan 8.210 nan 0.000 0.413 81 T N 0.149 114.806 114.554 0.171 0.000 2.746 81 T HA -0.176 4.154 4.350 -0.033 0.000 0.267 81 T C 2.170 176.990 174.700 0.200 0.000 1.039 81 T CA 1.890 64.087 62.100 0.161 0.000 1.142 81 T CB -0.250 68.679 68.868 0.102 0.000 0.866 81 T HN 0.315 nan 8.240 nan 0.000 0.444 82 S N 0.870 116.721 115.700 0.251 0.000 2.353 82 S HA -0.123 4.327 4.470 -0.033 0.000 0.222 82 S C 2.014 176.853 174.600 0.398 0.000 1.035 82 S CA 1.115 59.540 58.200 0.374 0.000 1.025 82 S CB -0.570 62.906 63.200 0.460 0.000 0.902 82 S HN 0.281 nan 8.310 nan 0.000 0.440 83 L N 1.841 123.240 121.223 0.294 0.000 2.042 83 L HA 0.048 4.368 4.340 -0.033 0.000 0.210 83 L C 2.485 179.506 176.870 0.252 0.000 1.076 83 L CA 2.187 57.168 54.840 0.235 0.000 0.749 83 L CB -1.318 40.859 42.059 0.196 0.000 0.893 83 L HN 0.387 nan 8.230 nan 0.000 0.432 84 A N -2.273 120.697 122.820 0.251 0.000 2.066 84 A HA -0.153 4.147 4.320 -0.033 0.000 0.218 84 A C 2.327 180.031 177.584 0.200 0.000 1.157 84 A CA 1.335 53.507 52.037 0.225 0.000 0.670 84 A CB -1.165 17.972 19.000 0.229 0.000 0.804 84 A HN 0.597 nan 8.150 nan 0.000 0.453 85 C N -1.229 118.204 119.300 0.221 0.000 2.467 85 C HA 0.180 4.620 4.460 -0.033 0.000 0.279 85 C C 3.221 178.372 174.990 0.268 0.000 1.347 85 C CA 0.531 59.660 59.018 0.185 0.000 1.748 85 C CB -1.087 26.714 27.740 0.102 0.000 1.977 85 C HN 0.713 nan 8.230 nan 0.000 0.501 86 A N 0.917 123.983 122.820 0.410 0.000 1.898 86 A HA -0.170 4.130 4.320 -0.033 0.000 0.216 86 A C 1.784 179.514 177.584 0.243 0.000 1.181 86 A CA 1.929 54.212 52.037 0.411 0.000 0.620 86 A CB -0.517 18.654 19.000 0.285 0.000 0.819 86 A HN 0.514 nan 8.150 nan 0.000 0.442 87 D N -0.450 120.077 120.400 0.211 0.000 2.178 87 D HA -0.100 4.520 4.640 -0.033 0.000 0.202 87 D C 1.793 178.169 176.300 0.126 0.000 0.974 87 D CA 0.934 55.034 54.000 0.166 0.000 0.841 87 D CB -0.299 40.598 40.800 0.161 0.000 0.953 87 D HN 0.331 nan 8.370 nan 0.000 0.478 88 L N 0.676 121.975 121.223 0.127 0.000 2.083 88 L HA -0.114 4.206 4.340 -0.033 0.000 0.209 88 L C 2.145 179.063 176.870 0.080 0.000 1.083 88 L CA 1.225 56.120 54.840 0.092 0.000 0.752 88 L CB -0.372 41.739 42.059 0.086 0.000 0.899 88 L HN -0.148 nan 8.230 nan 0.000 0.433 89 V N -1.558 118.419 119.914 0.104 0.000 2.379 89 V HA -0.223 3.877 4.120 -0.033 0.000 0.245 89 V C 2.507 178.641 176.094 0.068 0.000 1.044 89 V CA 1.382 63.739 62.300 0.095 0.000 1.036 89 V CB -0.320 31.585 31.823 0.137 0.000 0.664 89 V HN 0.294 nan 8.190 nan 0.000 0.453 90 V N 1.138 121.085 119.914 0.056 0.000 2.282 90 V HA -0.269 3.831 4.120 -0.033 0.000 0.249 90 V C 2.617 178.702 176.094 -0.015 0.000 1.057 90 V CA 2.441 64.731 62.300 -0.016 0.000 1.032 90 V CB -1.412 30.415 31.823 0.007 0.000 0.645 90 V HN 0.622 nan 8.190 nan 0.000 0.447 91 G N -0.886 107.930 108.800 0.027 0.000 2.408 91 G HA2 -0.153 3.787 3.960 -0.033 0.000 0.217 91 G HA3 -0.153 3.787 3.960 -0.033 0.000 0.217 91 G C 1.534 176.444 174.900 0.017 0.000 1.150 91 G CA 0.789 45.905 45.100 0.027 0.000 0.776 91 G HN 0.488 nan 8.290 nan 0.000 0.542 92 L N -0.949 120.288 121.223 0.023 0.000 2.307 92 L HA 0.326 4.646 4.340 -0.033 0.000 0.211 92 L C 2.377 179.254 176.870 0.011 0.000 1.099 92 L CA 0.303 55.147 54.840 0.007 0.000 0.816 92 L CB 0.029 42.098 42.059 0.016 0.000 0.952 92 L HN 0.174 nan 8.230 nan 0.000 0.455 93 L N -2.682 118.584 121.223 0.072 0.000 2.638 93 L HA 0.102 4.422 4.340 -0.033 0.000 0.195 93 L C 2.157 179.225 176.870 0.330 0.000 1.065 93 L CA -0.019 54.938 54.840 0.194 0.000 0.859 93 L CB -0.079 42.121 42.059 0.236 0.000 1.269 93 L HN -0.192 nan 8.230 nan 0.000 0.484 94 V N 0.041 120.068 119.914 0.189 0.000 2.261 94 V HA -0.224 3.875 4.120 -0.033 0.000 0.246 94 V C 2.391 178.561 176.094 0.127 0.000 1.047 94 V CA 1.755 64.165 62.300 0.185 0.000 1.015 94 V CB -0.276 31.409 31.823 -0.230 0.000 0.642 94 V HN 0.155 nan 8.190 nan 0.000 0.446 95 V N 0.345 120.200 119.914 -0.099 0.000 2.295 95 V HA -0.148 3.952 4.120 -0.033 0.000 0.246 95 V C 0.160 176.339 176.094 0.141 0.000 1.049 95 V CA 2.540 64.831 62.300 -0.015 0.000 1.024 95 V CB -1.787 30.067 31.823 0.051 0.000 0.648 95 V HN 0.494 nan 8.190 nan 0.000 0.447 96 P HA -0.160 nan 4.420 nan 0.000 0.216 96 P C 1.624 178.845 177.300 -0.131 0.000 1.153 96 P CA 1.652 64.704 63.100 -0.080 0.000 0.858 96 P CB -0.141 31.414 31.700 -0.241 0.000 0.789 97 F N -0.411 119.443 119.950 -0.159 0.000 2.171 97 F HA -0.036 4.471 4.527 -0.032 0.000 0.300 97 F C 2.531 178.173 175.800 -0.264 0.000 1.090 97 F CA 1.917 59.692 58.000 -0.375 0.000 1.293 97 F CB -1.449 37.116 39.000 -0.726 0.000 1.013 97 F HN -0.064 nan 8.300 nan 0.000 0.486 98 G N -0.934 107.953 108.800 0.145 0.000 2.484 98 G HA2 -0.064 3.876 3.960 -0.033 0.000 0.218 98 G HA3 -0.064 3.876 3.960 -0.033 0.000 0.218 98 G C 1.839 177.090 174.900 0.585 0.000 1.130 98 G CA 0.676 46.015 45.100 0.399 0.000 0.784 98 G HN 0.440 nan 8.290 nan 0.000 0.543 99 A N 1.180 124.276 122.820 0.460 0.000 1.873 99 A HA -0.048 4.252 4.320 -0.033 0.000 0.215 99 A C 2.676 180.382 177.584 0.204 0.000 1.186 99 A CA 2.631 54.861 52.037 0.320 0.000 0.616 99 A CB -1.202 17.910 19.000 0.186 0.000 0.823 99 A HN 0.521 nan 8.150 nan 0.000 0.442 100 T N -1.952 112.704 114.554 0.171 0.000 2.881 100 T HA -0.126 4.204 4.350 -0.033 0.000 0.270 100 T C 1.675 176.481 174.700 0.177 0.000 1.068 100 T CA 1.582 63.780 62.100 0.163 0.000 1.131 100 T CB -0.353 68.680 68.868 0.276 0.000 0.871 100 T HN 0.217 nan 8.240 nan 0.000 0.479 101 L N 0.534 121.911 121.223 0.256 0.000 2.162 101 L HA 0.288 4.608 4.340 -0.033 0.000 0.205 101 L C 2.534 179.593 176.870 0.316 0.000 1.086 101 L CA 0.981 56.003 54.840 0.304 0.000 0.778 101 L CB -0.354 41.946 42.059 0.402 0.000 0.928 101 L HN 0.138 nan 8.230 nan 0.000 0.446 102 V N -1.515 118.607 119.914 0.346 0.000 2.407 102 V HA -0.176 3.924 4.120 -0.033 0.000 0.245 102 V C 2.374 178.692 176.094 0.374 0.000 1.041 102 V CA 1.436 63.948 62.300 0.353 0.000 1.040 102 V CB 0.052 32.021 31.823 0.245 0.000 0.671 102 V HN 0.264 nan 8.190 nan 0.000 0.455 103 V N -0.120 119.916 119.914 0.203 0.000 2.307 103 V HA -0.131 3.969 4.120 -0.033 0.000 0.245 103 V C 2.423 178.681 176.094 0.274 0.000 1.045 103 V CA 1.714 64.106 62.300 0.152 0.000 1.024 103 V CB -0.581 31.244 31.823 0.003 0.000 0.651 103 V HN 0.416 nan 8.190 nan 0.000 0.449 104 R N -0.316 120.291 120.500 0.179 0.000 2.300 104 R HA 0.217 4.537 4.340 -0.033 0.000 0.199 104 R C 1.805 178.175 176.300 0.117 0.000 0.920 104 R CA 0.795 56.965 56.100 0.116 0.000 1.046 104 R CB -0.152 30.162 30.300 0.023 0.000 0.984 104 R HN 0.613 nan 8.270 nan 0.000 0.493 105 G N 1.468 110.369 108.800 0.168 0.000 2.189 105 G HA2 -0.327 3.613 3.960 -0.033 0.000 0.267 105 G HA3 -0.327 3.613 3.960 -0.033 0.000 0.267 105 G C 0.339 175.317 174.900 0.131 0.000 0.975 105 G CA 1.176 46.357 45.100 0.135 0.000 0.644 105 G HN 0.535 nan 8.290 nan 0.000 0.537 106 T N -4.100 110.528 114.554 0.124 0.000 2.843 106 T HA 0.504 4.833 4.350 -0.033 0.000 0.302 106 T C -0.685 174.109 174.700 0.157 0.000 1.232 106 T CA -0.420 61.763 62.100 0.138 0.000 1.009 106 T CB 1.949 70.858 68.868 0.070 0.000 1.254 106 T HN 0.835 nan 8.240 nan 0.000 0.504 107 W N 3.227 124.542 121.300 0.026 0.000 2.388 107 W HA 0.389 5.031 4.660 -0.030 0.000 0.308 107 W C -0.453 175.990 176.519 -0.127 0.000 1.263 107 W CA -0.911 56.442 57.345 0.013 0.000 1.286 107 W CB 0.549 30.070 29.460 0.102 0.000 1.294 107 W HN 0.705 nan 8.180 nan 0.000 0.493 108 L N 5.584 126.200 121.223 -1.012 0.000 2.607 108 L HA 0.040 4.360 4.340 -0.033 0.000 0.228 108 L C 0.808 176.975 176.870 -1.173 0.000 1.123 108 L CA 0.370 54.531 54.840 -1.133 0.000 0.890 108 L CB -0.066 41.098 42.059 -1.492 0.000 1.103 108 L HN 0.521 nan 8.230 nan 0.000 0.468 109 W N 0.158 120.965 121.300 -0.821 0.000 3.127 109 W HA 0.504 5.143 4.660 -0.035 0.000 0.344 109 W C 1.208 177.811 176.519 0.139 0.000 1.151 109 W CA 0.237 57.369 57.345 -0.355 0.000 1.765 109 W CB 0.447 29.635 29.460 -0.452 0.000 1.085 109 W HN 0.074 nan 8.180 nan 0.000 0.596 110 G N 0.504 109.567 108.800 0.438 0.000 2.710 110 G HA2 -0.250 3.689 3.960 -0.033 0.000 0.668 110 G HA3 -0.250 3.689 3.960 -0.033 0.000 0.668 110 G C 0.519 175.780 174.900 0.602 0.000 1.320 110 G CA -0.242 45.142 45.100 0.473 0.000 0.860 110 G HN -0.086 nan 8.290 nan 0.000 0.538 111 S N -0.935 115.012 115.700 0.412 0.000 2.395 111 S HA 0.069 4.519 4.470 -0.033 0.000 0.225 111 S C 1.967 176.764 174.600 0.329 0.000 1.027 111 S CA 1.940 60.340 58.200 0.333 0.000 0.965 111 S CB -0.274 63.095 63.200 0.280 0.000 0.812 111 S HN 0.769 nan 8.310 nan 0.000 0.482 112 F N 2.573 122.658 119.950 0.225 0.000 2.075 112 F HA -0.012 4.495 4.527 -0.034 0.000 0.297 112 F C 1.721 177.634 175.800 0.189 0.000 1.113 112 F CA 1.333 59.443 58.000 0.184 0.000 1.218 112 F CB -0.533 38.561 39.000 0.157 0.000 0.984 112 F HN 0.091 nan 8.300 nan 0.000 0.472 113 L N -0.592 120.708 121.223 0.129 0.000 2.191 113 L HA -0.244 4.076 4.340 -0.033 0.000 0.212 113 L C 2.816 179.721 176.870 0.059 0.000 1.103 113 L CA 1.109 55.969 54.840 0.033 0.000 0.769 113 L CB -0.894 41.339 42.059 0.290 0.000 0.908 113 L HN 0.473 nan 8.230 nan 0.000 0.438 114 c N 0.310 118.969 118.600 0.098 0.000 2.446 114 c HA -0.134 4.415 4.570 -0.033 0.000 0.277 114 c C 2.577 176.512 174.090 -0.258 0.000 1.275 114 c CA 0.973 57.071 56.329 -0.385 0.000 1.727 114 c CB -0.437 41.744 42.510 -0.549 0.000 2.010 114 c HN 0.519 nan 8.230 nan 0.000 0.486 115 E N -0.133 119.965 120.200 -0.169 0.000 2.072 115 E HA -0.145 4.185 4.350 -0.033 0.000 0.190 115 E C 1.973 178.406 176.600 -0.278 0.000 0.982 115 E CA 1.066 57.360 56.400 -0.177 0.000 0.803 115 E CB -0.242 29.463 29.700 0.008 0.000 0.755 115 E HN 0.611 nan 8.360 nan 0.000 0.453 116 L N 0.317 121.324 121.223 -0.361 0.000 2.017 116 L HA -0.162 4.158 4.340 -0.033 0.000 0.208 116 L C 2.042 178.750 176.870 -0.269 0.000 1.073 116 L CA 1.764 56.411 54.840 -0.321 0.000 0.745 116 L CB -0.571 41.209 42.059 -0.466 0.000 0.894 116 L HN 0.282 nan 8.230 nan 0.000 0.432 117 W N 0.466 121.475 121.300 -0.487 0.000 2.332 117 W HA -0.252 4.388 4.660 -0.033 0.000 0.321 117 W C 2.406 178.648 176.519 -0.462 0.000 1.219 117 W CA 2.819 59.868 57.345 -0.492 0.000 1.277 117 W CB -1.020 28.094 29.460 -0.576 0.000 1.161 117 W HN 0.145 nan 8.180 nan 0.000 0.476 118 T N 0.484 114.576 114.554 -0.770 0.000 2.653 118 T HA -0.286 4.044 4.350 -0.033 0.000 0.268 118 T C 1.948 176.119 174.700 -0.882 0.000 1.035 118 T CA 2.305 63.760 62.100 -1.075 0.000 1.154 118 T CB -0.905 67.328 68.868 -1.058 0.000 0.862 118 T HN 0.183 nan 8.240 nan 0.000 0.441 119 S N 1.174 116.461 115.700 -0.688 0.000 2.359 119 S HA 0.016 4.466 4.470 -0.033 0.000 0.224 119 S C 2.035 176.177 174.600 -0.763 0.000 1.035 119 S CA 0.956 58.696 58.200 -0.767 0.000 1.018 119 S CB -0.478 62.190 63.200 -0.888 0.000 0.876 119 S HN 0.385 nan 8.310 nan 0.000 0.448 120 L N 1.203 122.093 121.223 -0.554 0.000 2.141 120 L HA -0.123 4.197 4.340 -0.033 0.000 0.209 120 L C 2.388 179.048 176.870 -0.349 0.000 1.094 120 L CA 1.034 55.672 54.840 -0.337 0.000 0.763 120 L CB -0.550 41.426 42.059 -0.139 0.000 0.908 120 L HN 0.267 nan 8.230 nan 0.000 0.437 121 D N 0.293 120.379 120.400 -0.525 0.000 2.084 121 D HA -0.141 4.479 4.640 -0.033 0.000 0.196 121 D C 2.166 178.230 176.300 -0.394 0.000 0.985 121 D CA 1.314 55.021 54.000 -0.488 0.000 0.826 121 D CB 0.085 40.450 40.800 -0.726 0.000 0.978 121 D HN 0.044 nan 8.370 nan 0.000 0.456 122 V N 1.100 120.749 119.914 -0.442 0.000 2.407 122 V HA -0.214 3.886 4.120 -0.033 0.000 0.248 122 V C 2.689 178.622 176.094 -0.268 0.000 1.055 122 V CA 1.439 63.552 62.300 -0.311 0.000 1.049 122 V CB -0.635 31.038 31.823 -0.250 0.000 0.662 122 V HN 0.220 nan 8.190 nan 0.000 0.455 123 L N 0.052 121.094 121.223 -0.302 0.000 2.012 123 L HA -0.190 4.130 4.340 -0.033 0.000 0.210 123 L C 2.395 179.148 176.870 -0.195 0.000 1.073 123 L CA 2.328 57.042 54.840 -0.211 0.000 0.748 123 L CB -0.842 41.130 42.059 -0.144 0.000 0.891 123 L HN 0.357 nan 8.230 nan 0.000 0.431 124 C N -2.060 117.147 119.300 -0.154 0.000 2.440 124 C HA -0.086 4.354 4.460 -0.033 0.000 0.278 124 C C 2.874 177.780 174.990 -0.140 0.000 1.295 124 C CA 0.855 59.815 59.018 -0.097 0.000 1.738 124 C CB -0.792 26.946 27.740 -0.004 0.000 1.987 124 C HN 0.570 nan 8.230 nan 0.000 0.492 125 V N 0.754 120.535 119.914 -0.222 0.000 2.453 125 V HA -0.162 3.938 4.120 -0.033 0.000 0.247 125 V C 2.400 178.370 176.094 -0.206 0.000 1.048 125 V CA 2.677 64.797 62.300 -0.300 0.000 1.049 125 V CB -0.661 30.691 31.823 -0.786 0.000 0.672 125 V HN 0.628 nan 8.190 nan 0.000 0.457 126 T N 0.665 115.080 114.554 -0.232 0.000 2.708 126 T HA -0.095 4.235 4.350 -0.033 0.000 0.266 126 T C 2.007 176.525 174.700 -0.303 0.000 1.037 126 T CA 1.653 63.617 62.100 -0.226 0.000 1.146 126 T CB -0.543 68.209 68.868 -0.194 0.000 0.865 126 T HN 0.649 nan 8.240 nan 0.000 0.435 127 A N 1.349 123.918 122.820 -0.417 0.000 1.902 127 A HA -0.074 4.226 4.320 -0.033 0.000 0.217 127 A C 2.610 179.894 177.584 -0.499 0.000 1.181 127 A CA 1.864 53.497 52.037 -0.673 0.000 0.623 127 A CB -0.864 17.325 19.000 -1.350 0.000 0.818 127 A HN 0.427 nan 8.150 nan 0.000 0.443 128 S N -0.310 115.196 115.700 -0.323 0.000 2.351 128 S HA -0.171 4.278 4.470 -0.033 0.000 0.220 128 S C 1.880 176.200 174.600 -0.465 0.000 1.035 128 S CA 1.544 59.589 58.200 -0.259 0.000 1.031 128 S CB -0.449 62.747 63.200 -0.007 0.000 0.928 128 S HN 0.508 nan 8.310 nan 0.000 0.433 129 I N 2.160 122.437 120.570 -0.489 0.000 2.286 129 I HA -0.135 4.015 4.170 -0.033 0.000 0.248 129 I C 2.053 177.946 176.117 -0.373 0.000 1.115 129 I CA 1.290 62.270 61.300 -0.533 0.000 1.392 129 I CB -0.775 37.047 38.000 -0.297 0.000 1.065 129 I HN 0.295 nan 8.210 nan 0.000 0.418 130 E N -0.602 119.408 120.200 -0.317 0.000 2.051 130 E HA -0.201 4.129 4.350 -0.033 0.000 0.192 130 E C 2.032 178.470 176.600 -0.271 0.000 0.991 130 E CA 1.967 58.204 56.400 -0.273 0.000 0.799 130 E CB -0.269 29.276 29.700 -0.258 0.000 0.748 130 E HN 0.469 nan 8.360 nan 0.000 0.449 131 T N 1.680 116.065 114.554 -0.281 0.000 2.788 131 T HA -0.121 4.208 4.350 -0.033 0.000 0.268 131 T C 1.948 176.517 174.700 -0.219 0.000 1.044 131 T CA 0.780 62.747 62.100 -0.222 0.000 1.139 131 T CB -0.172 68.617 68.868 -0.132 0.000 0.867 131 T HN 0.085 nan 8.240 nan 0.000 0.454 132 L N 0.334 121.404 121.223 -0.256 0.000 2.131 132 L HA -0.112 4.208 4.340 -0.033 0.000 0.210 132 L C 2.844 179.598 176.870 -0.194 0.000 1.092 132 L CA 0.766 55.470 54.840 -0.226 0.000 0.759 132 L CB -0.721 41.142 42.059 -0.326 0.000 0.903 132 L HN 0.383 nan 8.230 nan 0.000 0.435 133 C N -1.058 118.113 119.300 -0.216 0.000 2.432 133 C HA -0.129 4.311 4.460 -0.033 0.000 0.277 133 C C 2.832 177.712 174.990 -0.182 0.000 1.249 133 C CA 0.494 59.406 59.018 -0.175 0.000 1.725 133 C CB -0.475 27.162 27.740 -0.171 0.000 2.028 133 C HN 0.336 nan 8.230 nan 0.000 0.477 134 V N 1.045 120.803 119.914 -0.261 0.000 2.287 134 V HA -0.248 3.852 4.120 -0.033 0.000 0.248 134 V C 2.147 178.023 176.094 -0.364 0.000 1.053 134 V CA 2.178 64.249 62.300 -0.380 0.000 1.027 134 V CB -0.549 30.907 31.823 -0.612 0.000 0.646 134 V HN 0.534 nan 8.190 nan 0.000 0.447 135 I N 0.279 120.678 120.570 -0.284 0.000 2.208 135 I HA -0.269 3.881 4.170 -0.033 0.000 0.245 135 I C 2.638 178.748 176.117 -0.013 0.000 1.097 135 I CA 1.556 62.808 61.300 -0.079 0.000 1.363 135 I CB -0.573 37.436 38.000 0.014 0.000 1.051 135 I HN 0.304 nan 8.210 nan 0.000 0.413 136 A N 0.853 123.647 122.820 -0.043 0.000 1.933 136 A HA -0.165 4.135 4.320 -0.033 0.000 0.218 136 A C 2.269 179.870 177.584 0.028 0.000 1.175 136 A CA 1.509 53.540 52.037 -0.010 0.000 0.628 136 A CB -0.768 18.207 19.000 -0.043 0.000 0.814 136 A HN 0.410 nan 8.150 nan 0.000 0.444 137 I N -0.519 120.050 120.570 -0.002 0.000 2.353 137 I HA -0.202 3.948 4.170 -0.033 0.000 0.248 137 I C 2.211 178.416 176.117 0.145 0.000 1.119 137 I CA 1.690 63.026 61.300 0.060 0.000 1.417 137 I CB -0.382 37.620 38.000 0.004 0.000 1.078 137 I HN 0.440 nan 8.210 nan 0.000 0.421 138 D N 0.843 121.316 120.400 0.120 0.000 2.104 138 D HA -0.200 4.420 4.640 -0.033 0.000 0.194 138 D C 2.365 178.794 176.300 0.215 0.000 0.994 138 D CA 1.302 55.462 54.000 0.267 0.000 0.830 138 D CB 0.183 41.191 40.800 0.347 0.000 0.959 138 D HN 0.008 nan 8.370 nan 0.000 0.452 139 R N -0.628 119.946 120.500 0.123 0.000 2.090 139 R HA -0.123 4.197 4.340 -0.033 0.000 0.228 139 R C 2.190 178.511 176.300 0.036 0.000 1.110 139 R CA 0.749 56.870 56.100 0.036 0.000 0.973 139 R CB -1.205 29.120 30.300 0.042 0.000 0.869 139 R HN 0.429 nan 8.270 nan 0.000 0.440 140 Y N 1.427 121.719 120.300 -0.013 0.000 2.128 140 Y HA -0.232 4.298 4.550 -0.033 0.000 0.284 140 Y C 2.190 178.093 175.900 0.005 0.000 1.154 140 Y CA 1.353 59.443 58.100 -0.017 0.000 1.149 140 Y CB -0.430 38.020 38.460 -0.016 0.000 0.976 140 Y HN -0.068 nan 8.280 nan 0.000 0.505 141 L N 0.208 121.488 121.223 0.095 0.000 1.989 141 L HA -0.179 4.141 4.340 -0.033 0.000 0.211 141 L C 2.609 179.460 176.870 -0.030 0.000 1.071 141 L CA 2.203 57.095 54.840 0.087 0.000 0.749 141 L CB -1.207 41.041 42.059 0.315 0.000 0.890 141 L HN 0.286 nan 8.230 nan 0.000 0.431 142 A N -1.178 121.533 122.820 -0.182 0.000 2.019 142 A HA -0.203 4.097 4.320 -0.033 0.000 0.219 142 A C 2.333 179.722 177.584 -0.326 0.000 1.164 142 A CA 2.013 53.708 52.037 -0.570 0.000 0.644 142 A CB -0.779 17.608 19.000 -1.020 0.000 0.805 142 A HN 0.521 nan 8.150 nan 0.000 0.449 143 I N -0.688 119.731 120.570 -0.251 0.000 3.228 143 I HA -0.089 4.061 4.170 -0.033 0.000 0.279 143 I C 2.273 178.270 176.117 -0.200 0.000 1.221 143 I CA 1.617 62.797 61.300 -0.201 0.000 1.458 143 I CB 0.271 38.172 38.000 -0.166 0.000 1.105 143 I HN 0.516 nan 8.210 nan 0.000 0.445 144 T N -4.346 110.045 114.554 -0.272 0.000 3.015 144 T HA 0.115 4.445 4.350 -0.033 0.000 0.250 144 T C 1.036 175.667 174.700 -0.115 0.000 1.057 144 T CA 0.075 62.029 62.100 -0.242 0.000 1.066 144 T CB 0.303 68.905 68.868 -0.443 0.000 0.959 144 T HN 0.057 nan 8.240 nan 0.000 0.488 145 S N 1.876 117.527 115.700 -0.082 0.000 2.539 145 S HA 0.420 4.870 4.470 -0.033 0.000 0.185 145 S C -2.321 172.323 174.600 0.074 0.000 1.181 145 S CA -1.013 57.203 58.200 0.027 0.000 1.216 145 S CB 0.729 63.954 63.200 0.041 0.000 1.476 145 S HN 0.079 nan 8.310 nan 0.000 0.395 146 P HA -0.074 nan 4.420 nan 0.000 0.216 146 P C 0.816 178.037 177.300 -0.131 0.000 1.153 146 P CA 1.334 64.345 63.100 -0.148 0.000 0.858 146 P CB 0.023 31.515 31.700 -0.348 0.000 0.789 147 F N -1.273 118.715 119.950 0.064 0.000 2.270 147 F HA 0.078 4.585 4.527 -0.034 0.000 0.295 147 F C 2.629 178.471 175.800 0.069 0.000 1.087 147 F CA 0.560 58.597 58.000 0.061 0.000 1.365 147 F CB -0.735 38.284 39.000 0.031 0.000 1.056 147 F HN -0.301 nan 8.300 nan 0.000 0.506 148 R N -0.009 120.643 120.500 0.253 0.000 2.096 148 R HA -0.261 4.059 4.340 -0.033 0.000 0.240 148 R C 2.185 178.567 176.300 0.136 0.000 1.139 148 R CA 1.814 58.009 56.100 0.158 0.000 0.952 148 R CB -1.281 29.099 30.300 0.132 0.000 0.854 148 R HN 0.361 nan 8.270 nan 0.000 0.436 149 Y N 0.854 121.172 120.300 0.030 0.000 2.081 149 Y HA -0.307 4.223 4.550 -0.034 0.000 0.280 149 Y C 2.171 178.073 175.900 0.004 0.000 1.163 149 Y CA 2.143 60.249 58.100 0.010 0.000 1.135 149 Y CB -0.248 38.200 38.460 -0.020 0.000 0.970 149 Y HN 0.168 nan 8.280 nan 0.000 0.498 150 Q N -0.140 119.769 119.800 0.182 0.000 2.112 150 Q HA -0.204 4.116 4.340 -0.033 0.000 0.206 150 Q C 2.598 178.595 176.000 -0.004 0.000 0.987 150 Q CA 2.092 57.943 55.803 0.081 0.000 0.858 150 Q CB -0.624 28.153 28.738 0.065 0.000 0.905 150 Q HN 0.662 nan 8.270 nan 0.000 0.420 151 S N -0.303 115.409 115.700 0.021 0.000 2.377 151 S HA 0.004 4.454 4.470 -0.033 0.000 0.223 151 S C 2.094 176.670 174.600 -0.039 0.000 1.030 151 S CA 0.359 58.562 58.200 0.005 0.000 0.970 151 S CB -0.338 62.885 63.200 0.037 0.000 0.830 151 S HN 0.266 nan 8.310 nan 0.000 0.473 152 L N 0.254 121.439 121.223 -0.064 0.000 2.044 152 L HA 0.174 4.494 4.340 -0.033 0.000 0.205 152 L C 1.193 177.975 176.870 -0.145 0.000 1.075 152 L CA 0.744 55.534 54.840 -0.083 0.000 0.747 152 L CB -0.471 41.552 42.059 -0.060 0.000 0.903 152 L HN 0.361 nan 8.230 nan 0.000 0.435 153 M N 1.714 121.134 119.600 -0.300 0.000 2.193 153 M HA 0.136 4.596 4.480 -0.033 0.000 0.342 153 M C 0.195 176.365 176.300 -0.216 0.000 1.413 153 M CA 0.334 55.428 55.300 -0.344 0.000 1.191 153 M CB 0.358 32.493 32.600 -0.774 0.000 1.633 153 M HN 0.177 nan 8.290 nan 0.000 0.458 154 T N 0.584 115.064 114.554 -0.124 0.000 2.940 154 T HA 0.557 4.887 4.350 -0.033 0.000 0.288 154 T C 1.151 175.805 174.700 -0.077 0.000 1.045 154 T CA -0.940 61.109 62.100 -0.084 0.000 1.018 154 T CB 1.974 70.810 68.868 -0.054 0.000 1.151 154 T HN 0.683 nan 8.240 nan 0.000 0.529 155 R N 0.512 120.971 120.500 -0.068 0.000 2.091 155 R HA -0.064 4.256 4.340 -0.033 0.000 0.238 155 R C 2.662 178.933 176.300 -0.048 0.000 1.136 155 R CA 1.454 57.511 56.100 -0.070 0.000 0.959 155 R CB -1.001 29.263 30.300 -0.060 0.000 0.856 155 R HN 0.790 nan 8.270 nan 0.000 0.437 156 A N 1.544 124.345 122.820 -0.031 0.000 1.902 156 A HA -0.163 4.137 4.320 -0.033 0.000 0.217 156 A C 2.151 179.736 177.584 0.001 0.000 1.181 156 A CA 1.190 53.219 52.037 -0.014 0.000 0.623 156 A CB -0.338 18.656 19.000 -0.011 0.000 0.818 156 A HN 0.223 nan 8.150 nan 0.000 0.443 157 R N -0.588 119.911 120.500 -0.002 0.000 2.066 157 R HA -0.041 4.279 4.340 -0.033 0.000 0.232 157 R C 2.545 178.883 176.300 0.065 0.000 1.131 157 R CA 1.130 57.245 56.100 0.024 0.000 0.955 157 R CB -0.586 29.720 30.300 0.009 0.000 0.851 157 R HN 0.493 nan 8.270 nan 0.000 0.432 158 A N 1.944 124.784 122.820 0.034 0.000 1.927 158 A HA -0.254 4.046 4.320 -0.033 0.000 0.220 158 A C 2.008 179.650 177.584 0.095 0.000 1.185 158 A CA 1.717 53.780 52.037 0.043 0.000 0.639 158 A CB -0.406 18.446 19.000 -0.247 0.000 0.820 158 A HN 0.245 nan 8.150 nan 0.000 0.451 159 K N -0.778 119.644 120.400 0.037 0.000 2.057 159 K HA -0.076 4.224 4.320 -0.033 0.000 0.207 159 K C 1.876 178.534 176.600 0.096 0.000 1.049 159 K CA 1.431 57.753 56.287 0.058 0.000 0.931 159 K CB -0.327 32.186 32.500 0.021 0.000 0.714 159 K HN 0.331 nan 8.250 nan 0.000 0.440 160 V N 1.517 121.482 119.914 0.086 0.000 2.427 160 V HA -0.215 3.885 4.120 -0.033 0.000 0.248 160 V C 2.095 178.260 176.094 0.118 0.000 1.051 160 V CA 1.457 63.808 62.300 0.085 0.000 1.048 160 V CB -0.318 31.541 31.823 0.059 0.000 0.666 160 V HN 0.256 nan 8.190 nan 0.000 0.456 161 I N -0.326 120.338 120.570 0.158 0.000 2.163 161 I HA -0.276 3.874 4.170 -0.033 0.000 0.243 161 I C 2.263 178.502 176.117 0.203 0.000 1.085 161 I CA 1.860 63.264 61.300 0.174 0.000 1.347 161 I CB -0.328 37.814 38.000 0.238 0.000 1.044 161 I HN 0.217 nan 8.210 nan 0.000 0.408 162 I N -0.023 120.727 120.570 0.300 0.000 2.163 162 I HA -0.352 3.798 4.170 -0.033 0.000 0.243 162 I C 2.589 178.920 176.117 0.358 0.000 1.085 162 I CA 1.365 62.874 61.300 0.348 0.000 1.347 162 I CB -0.406 37.808 38.000 0.356 0.000 1.044 162 I HN 0.365 nan 8.210 nan 0.000 0.408 163 C N 0.043 119.488 119.300 0.241 0.000 2.422 163 C HA -0.132 4.308 4.460 -0.033 0.000 0.279 163 C C 2.964 178.071 174.990 0.194 0.000 1.305 163 C CA 1.326 60.469 59.018 0.210 0.000 1.757 163 C CB -1.228 26.581 27.740 0.116 0.000 1.962 163 C HN 0.521 nan 8.230 nan 0.000 0.499 164 T N 0.795 115.435 114.554 0.143 0.000 2.746 164 T HA -0.132 4.198 4.350 -0.033 0.000 0.267 164 T C 1.890 176.641 174.700 0.084 0.000 1.039 164 T CA 1.448 63.607 62.100 0.097 0.000 1.142 164 T CB -0.287 68.620 68.868 0.064 0.000 0.866 164 T HN 0.361 nan 8.240 nan 0.000 0.444 165 V N -0.135 119.825 119.914 0.076 0.000 2.295 165 V HA -0.178 3.922 4.120 -0.033 0.000 0.246 165 V C 2.094 178.158 176.094 -0.050 0.000 1.049 165 V CA 1.528 63.807 62.300 -0.035 0.000 1.024 165 V CB -0.643 31.115 31.823 -0.108 0.000 0.648 165 V HN 0.605 nan 8.190 nan 0.000 0.447 166 W N -0.185 121.133 121.300 0.030 0.000 2.402 166 W HA -0.027 4.613 4.660 -0.033 0.000 0.286 166 W C 2.556 179.104 176.519 0.048 0.000 1.221 166 W CA 1.369 58.739 57.345 0.041 0.000 1.257 166 W CB -0.608 28.882 29.460 0.049 0.000 1.120 166 W HN 0.195 nan 8.180 nan 0.000 0.551 167 A N 0.446 123.411 122.820 0.241 0.000 1.858 167 A HA -0.190 4.110 4.320 -0.033 0.000 0.216 167 A C 1.858 179.506 177.584 0.107 0.000 1.190 167 A CA 1.878 54.007 52.037 0.153 0.000 0.617 167 A CB -0.996 18.070 19.000 0.111 0.000 0.827 167 A HN 0.259 nan 8.150 nan 0.000 0.443 168 I N -0.129 120.479 120.570 0.064 0.000 2.226 168 I HA -0.243 3.907 4.170 -0.033 0.000 0.245 168 I C 2.716 178.844 176.117 0.018 0.000 1.100 168 I CA 1.517 62.834 61.300 0.029 0.000 1.374 168 I CB -0.355 37.639 38.000 -0.010 0.000 1.057 168 I HN 0.221 nan 8.210 nan 0.000 0.413 169 S N 0.764 116.453 115.700 -0.018 0.000 2.356 169 S HA -0.184 4.266 4.470 -0.033 0.000 0.223 169 S C 2.324 176.961 174.600 0.060 0.000 1.032 169 S CA 1.329 59.497 58.200 -0.054 0.000 1.005 169 S CB -0.497 62.575 63.200 -0.214 0.000 0.867 169 S HN 0.544 nan 8.310 nan 0.000 0.449 170 A N 1.561 124.490 122.820 0.181 0.000 1.892 170 A HA -0.143 4.157 4.320 -0.033 0.000 0.218 170 A C 2.150 179.896 177.584 0.270 0.000 1.188 170 A CA 1.749 53.986 52.037 0.333 0.000 0.631 170 A CB -0.879 18.307 19.000 0.311 0.000 0.822 170 A HN 0.421 nan 8.150 nan 0.000 0.447 171 L N -0.414 120.906 121.223 0.161 0.000 2.042 171 L HA -0.100 4.220 4.340 -0.033 0.000 0.210 171 L C 2.340 179.282 176.870 0.120 0.000 1.076 171 L CA 1.938 56.854 54.840 0.127 0.000 0.749 171 L CB -0.421 41.693 42.059 0.091 0.000 0.893 171 L HN 0.142 nan 8.230 nan 0.000 0.432 172 V N -0.816 119.153 119.914 0.090 0.000 2.719 172 V HA -0.134 3.966 4.120 -0.033 0.000 0.252 172 V C 2.437 178.576 176.094 0.076 0.000 1.065 172 V CA 1.391 63.736 62.300 0.076 0.000 1.086 172 V CB -0.175 31.662 31.823 0.024 0.000 0.700 172 V HN 0.764 nan 8.190 nan 0.000 0.467 173 S N -1.267 114.457 115.700 0.040 0.000 2.517 173 S HA 0.049 4.499 4.470 -0.033 0.000 0.228 173 S C 1.871 176.415 174.600 -0.093 0.000 1.060 173 S CA 0.416 58.580 58.200 -0.060 0.000 0.937 173 S CB -0.601 62.467 63.200 -0.220 0.000 0.840 173 S HN 0.339 nan 8.310 nan 0.000 0.546 174 F N 1.957 121.907 119.950 0.001 0.000 2.113 174 F HA 0.142 4.649 4.527 -0.033 0.000 0.297 174 F C 2.446 178.227 175.800 -0.032 0.000 1.103 174 F CA 0.916 58.906 58.000 -0.018 0.000 1.248 174 F CB -0.340 38.656 39.000 -0.007 0.000 0.999 174 F HN 0.181 nan 8.300 nan 0.000 0.475 175 L N 0.525 121.836 121.223 0.147 0.000 2.005 175 L HA -0.091 4.229 4.340 -0.033 0.000 0.207 175 L C -0.433 176.296 176.870 -0.236 0.000 1.072 175 L CA 2.141 56.954 54.840 -0.045 0.000 0.744 175 L CB -2.198 39.818 42.059 -0.072 0.000 0.895 175 L HN 0.032 nan 8.230 nan 0.000 0.433 176 P HA -0.122 nan 4.420 nan 0.000 0.220 176 P C 1.939 179.311 177.300 0.121 0.000 1.148 176 P CA 1.343 64.409 63.100 -0.057 0.000 0.803 176 P CB 0.155 32.168 31.700 0.521 0.000 0.782 177 I N -1.899 118.749 120.570 0.129 0.000 2.333 177 I HA -0.149 4.001 4.170 -0.033 0.000 0.246 177 I C 2.094 178.396 176.117 0.308 0.000 1.106 177 I CA 1.111 62.512 61.300 0.168 0.000 1.411 177 I CB -0.402 37.529 38.000 -0.114 0.000 1.082 177 I HN -0.127 nan 8.210 nan 0.000 0.420 178 M N -0.420 119.273 119.600 0.154 0.000 2.296 178 M HA -0.103 4.357 4.480 -0.033 0.000 0.265 178 M C 2.023 178.338 176.300 0.025 0.000 1.064 178 M CA 1.434 56.817 55.300 0.139 0.000 1.109 178 M CB -0.801 31.860 32.600 0.102 0.000 1.396 178 M HN 0.221 nan 8.290 nan 0.000 0.430 179 M N -1.489 118.038 119.600 -0.121 0.000 2.619 179 M HA -0.012 4.448 4.480 -0.033 0.000 0.251 179 M C 0.140 176.412 176.300 -0.047 0.000 1.106 179 M CA 0.641 55.767 55.300 -0.291 0.000 1.086 179 M CB -1.203 30.829 32.600 -0.947 0.000 1.465 179 M HN 0.467 nan 8.290 nan 0.000 0.506 180 H N -3.080 115.957 119.070 -0.055 0.000 2.899 180 H HA -0.217 4.319 4.556 -0.033 0.000 0.282 180 H C 0.245 175.497 175.328 -0.127 0.000 1.198 180 H CA 0.037 55.935 56.048 -0.250 0.000 1.140 180 H CB -1.330 28.253 29.762 -0.299 0.000 1.317 180 H HN 0.456 nan 8.280 nan 0.000 0.375 181 W N 0.633 121.974 121.300 0.067 0.000 2.611 181 W HA -0.105 4.538 4.660 -0.028 0.000 0.251 181 W C 2.023 178.567 176.519 0.042 0.000 1.265 181 W CA 1.019 58.413 57.345 0.083 0.000 1.295 181 W CB -0.704 28.890 29.460 0.224 0.000 1.129 181 W HN 0.636 nan 8.180 nan 0.000 0.630 182 W N 0.196 121.461 121.300 -0.060 0.000 3.077 182 W HA 0.278 4.918 4.660 -0.034 0.000 0.266 182 W C 0.397 176.762 176.519 -0.257 0.000 1.300 182 W CA -0.431 56.663 57.345 -0.420 0.000 1.586 182 W CB -0.929 27.907 29.460 -1.040 0.000 1.103 182 W HN -0.330 nan 8.180 nan 0.000 0.652 183 R N 2.388 122.440 120.500 -0.747 0.000 2.491 183 R HA 0.062 4.382 4.340 -0.033 0.000 0.283 183 R C -0.468 175.707 176.300 -0.207 0.000 1.072 183 R CA 0.132 55.788 56.100 -0.740 0.000 1.048 183 R CB 0.602 30.241 30.300 -1.103 0.000 0.983 183 R HN -0.156 nan 8.270 nan 0.000 0.450 184 D N 0.898 121.300 120.400 0.003 0.000 2.385 184 D HA 0.098 4.718 4.640 -0.033 0.000 0.254 184 D C 0.265 176.598 176.300 0.054 0.000 1.053 184 D CA -0.337 53.680 54.000 0.029 0.000 0.992 184 D CB 1.229 42.043 40.800 0.023 0.000 1.145 184 D HN 0.447 nan 8.370 nan 0.000 0.523 185 E N -0.332 119.871 120.200 0.006 0.000 2.489 185 E HA 0.055 4.385 4.350 -0.033 0.000 0.204 185 E C -0.412 176.175 176.600 -0.021 0.000 1.006 185 E CA -0.303 56.097 56.400 0.001 0.000 0.936 185 E CB 0.475 30.170 29.700 -0.009 0.000 1.002 185 E HN 0.380 nan 8.360 nan 0.000 0.488 186 D N 1.692 122.069 120.400 -0.038 0.000 2.548 186 D HA -0.062 4.558 4.640 -0.033 0.000 0.231 186 D C -1.629 174.624 176.300 -0.079 0.000 1.142 186 D CA -1.233 52.732 54.000 -0.058 0.000 0.866 186 D CB 1.036 41.794 40.800 -0.069 0.000 1.190 186 D HN -0.181 nan 8.370 nan 0.000 0.469 187 P HA -0.119 nan 4.420 nan 0.000 0.218 187 P C 0.968 178.205 177.300 -0.105 0.000 1.149 187 P CA 1.308 64.365 63.100 -0.071 0.000 0.817 187 P CB 0.162 31.832 31.700 -0.050 0.000 0.785 188 Q N -0.802 118.930 119.800 -0.114 0.000 2.123 188 Q HA -0.052 4.268 4.340 -0.033 0.000 0.199 188 Q C 2.236 178.098 176.000 -0.231 0.000 0.966 188 Q CA 1.482 57.205 55.803 -0.135 0.000 0.845 188 Q CB -0.727 27.948 28.738 -0.105 0.000 0.907 188 Q HN 0.144 nan 8.270 nan 0.000 0.439 189 A N 0.787 123.432 122.820 -0.292 0.000 1.908 189 A HA -0.183 4.117 4.320 -0.033 0.000 0.218 189 A C 1.997 179.023 177.584 -0.930 0.000 1.181 189 A CA 1.197 52.877 52.037 -0.595 0.000 0.627 189 A CB -0.738 18.029 19.000 -0.388 0.000 0.818 189 A HN 0.327 nan 8.150 nan 0.000 0.445 190 L N -0.890 120.071 121.223 -0.436 0.000 2.131 190 L HA -0.176 4.144 4.340 -0.033 0.000 0.210 190 L C 2.633 179.391 176.870 -0.187 0.000 1.092 190 L CA 1.694 56.392 54.840 -0.236 0.000 0.759 190 L CB -0.540 41.480 42.059 -0.066 0.000 0.903 190 L HN 0.456 nan 8.230 nan 0.000 0.435 191 K N -0.148 120.142 120.400 -0.183 0.000 2.057 191 K HA -0.225 4.075 4.320 -0.033 0.000 0.206 191 K C 2.360 178.905 176.600 -0.092 0.000 1.050 191 K CA 1.743 57.970 56.287 -0.100 0.000 0.935 191 K CB -0.229 32.226 32.500 -0.074 0.000 0.715 191 K HN 0.365 nan 8.250 nan 0.000 0.439 192 c N 0.877 119.366 118.600 -0.186 0.000 2.425 192 c HA -0.125 4.425 4.570 -0.033 0.000 0.277 192 c C 2.510 176.624 174.090 0.040 0.000 1.280 192 c CA 0.597 56.868 56.329 -0.096 0.000 1.744 192 c CB -1.062 41.369 42.510 -0.132 0.000 1.989 192 c HN 0.506 nan 8.230 nan 0.000 0.491 193 Y N 0.531 120.850 120.300 0.033 0.000 2.314 193 Y HA 0.015 4.542 4.550 -0.038 0.000 0.293 193 Y C 2.660 178.586 175.900 0.043 0.000 1.129 193 Y CA 0.796 58.911 58.100 0.024 0.000 1.201 193 Y CB -1.110 37.318 38.460 -0.053 0.000 0.999 193 Y HN 0.413 nan 8.280 nan 0.000 0.541 194 Q N 0.091 119.984 119.800 0.156 0.000 2.444 194 Q HA -0.026 4.294 4.340 -0.033 0.000 0.206 194 Q C -0.320 175.740 176.000 0.100 0.000 0.948 194 Q CA 0.504 56.373 55.803 0.110 0.000 0.946 194 Q CB -0.002 28.776 28.738 0.066 0.000 1.027 194 Q HN 0.354 nan 8.270 nan 0.000 0.513 195 D N 0.352 120.819 120.400 0.112 0.000 2.453 195 D HA 0.192 4.812 4.640 -0.033 0.000 0.238 195 D C -2.061 174.330 176.300 0.152 0.000 1.088 195 D CA -2.257 51.809 54.000 0.110 0.000 0.854 195 D CB 1.693 42.545 40.800 0.086 0.000 1.076 195 D HN -0.195 nan 8.370 nan 0.000 0.533 196 P HA 0.104 nan 4.420 nan 0.000 0.230 196 P C 1.113 178.567 177.300 0.257 0.000 1.158 196 P CA 0.438 63.659 63.100 0.202 0.000 0.769 196 P CB 0.447 32.247 31.700 0.166 0.000 0.807 197 G N -1.712 107.211 108.800 0.205 0.000 2.939 197 G HA2 -0.043 3.897 3.960 -0.033 0.000 0.210 197 G HA3 -0.043 3.897 3.960 -0.033 0.000 0.210 197 G C -0.052 175.008 174.900 0.266 0.000 1.160 197 G CA 0.019 45.255 45.100 0.228 0.000 0.770 197 G HN 0.354 nan 8.290 nan 0.000 0.543 198 c N 0.585 119.318 118.600 0.222 0.000 2.303 198 c HA 0.606 5.156 4.570 -0.033 0.000 0.341 198 c C 0.796 174.998 174.090 0.187 0.000 1.244 198 c CA -0.902 55.547 56.329 0.201 0.000 1.765 198 c CB -0.404 42.195 42.510 0.147 0.000 2.379 198 c HN 0.264 nan 8.230 nan 0.000 0.530 199 c N 6.782 125.483 118.600 0.169 0.000 2.955 199 c HA 0.362 4.912 4.570 -0.033 0.000 0.229 199 c C -0.141 174.058 174.090 0.181 0.000 1.842 199 c CA -0.564 55.776 56.329 0.018 0.000 1.539 199 c CB -1.833 40.380 42.510 -0.496 0.000 2.869 199 c HN 0.923 nan 8.230 nan 0.000 0.503 200 D N 0.850 121.386 120.400 0.227 0.000 2.341 200 D HA 0.168 4.788 4.640 -0.033 0.000 0.245 200 D C -0.317 176.173 176.300 0.317 0.000 1.106 200 D CA 0.083 54.240 54.000 0.261 0.000 0.905 200 D CB 0.596 41.510 40.800 0.190 0.000 1.202 200 D HN 0.353 nan 8.370 nan 0.000 0.426 201 F N 2.583 122.589 119.950 0.092 0.000 2.467 201 F HA 0.188 4.700 4.527 -0.025 0.000 0.349 201 F C -0.516 175.366 175.800 0.135 0.000 1.182 201 F CA -0.946 57.062 58.000 0.014 0.000 1.279 201 F CB -0.015 38.943 39.000 -0.070 0.000 1.626 201 F HN -0.080 nan 8.300 nan 0.000 0.596 202 V N 4.187 124.207 119.914 0.176 0.000 2.353 202 V HA 0.283 4.383 4.120 -0.033 0.000 0.264 202 V C 0.432 176.603 176.094 0.128 0.000 1.049 202 V CA -0.232 62.105 62.300 0.063 0.000 0.896 202 V CB 0.575 32.402 31.823 0.006 0.000 1.025 202 V HN 0.687 nan 8.190 nan 0.000 0.475 203 T N 1.614 116.147 114.554 -0.035 0.000 2.950 203 T HA 0.541 4.870 4.350 -0.033 0.000 0.288 203 T C -0.091 174.629 174.700 0.033 0.000 1.035 203 T CA -0.955 61.146 62.100 0.002 0.000 1.028 203 T CB 1.654 70.422 68.868 -0.166 0.000 1.109 203 T HN 0.669 nan 8.240 nan 0.000 0.514 204 N N 0.687 119.424 118.700 0.061 0.000 2.354 204 N HA 0.229 4.949 4.740 -0.033 0.000 0.246 204 N C 1.042 176.593 175.510 0.069 0.000 1.285 204 N CA -0.765 52.312 53.050 0.045 0.000 0.925 204 N CB 0.604 39.114 38.487 0.038 0.000 1.174 204 N HN 0.656 nan 8.380 nan 0.000 0.478 205 R N -0.100 120.408 120.500 0.013 0.000 2.081 205 R HA -0.106 4.213 4.340 -0.033 0.000 0.235 205 R C 2.052 178.359 176.300 0.012 0.000 1.131 205 R CA 1.621 57.709 56.100 -0.019 0.000 0.960 205 R CB -0.714 29.530 30.300 -0.093 0.000 0.856 205 R HN 0.767 nan 8.270 nan 0.000 0.436 206 A N 0.478 123.314 122.820 0.028 0.000 1.865 206 A HA -0.246 4.054 4.320 -0.033 0.000 0.217 206 A C 2.031 179.668 177.584 0.089 0.000 1.191 206 A CA 1.451 53.510 52.037 0.035 0.000 0.623 206 A CB -0.866 18.145 19.000 0.017 0.000 0.826 206 A HN 0.482 nan 8.150 nan 0.000 0.444 207 Y N 0.594 120.930 120.300 0.060 0.000 2.181 207 Y HA -0.087 4.440 4.550 -0.039 0.000 0.288 207 Y C 2.643 178.615 175.900 0.121 0.000 1.146 207 Y CA 1.300 59.475 58.100 0.124 0.000 1.164 207 Y CB -0.509 38.063 38.460 0.187 0.000 0.982 207 Y HN 0.326 nan 8.280 nan 0.000 0.515 208 A N 0.617 123.560 122.820 0.205 0.000 1.865 208 A HA -0.213 4.087 4.320 -0.033 0.000 0.217 208 A C 2.263 179.894 177.584 0.077 0.000 1.191 208 A CA 2.281 54.405 52.037 0.145 0.000 0.623 208 A CB -1.233 17.849 19.000 0.137 0.000 0.826 208 A HN 0.566 nan 8.150 nan 0.000 0.444 209 I N -0.249 120.358 120.570 0.062 0.000 2.179 209 I HA -0.288 3.862 4.170 -0.033 0.000 0.242 209 I C 2.981 179.128 176.117 0.049 0.000 1.088 209 I CA 1.206 62.552 61.300 0.078 0.000 1.357 209 I CB -0.426 37.601 38.000 0.045 0.000 1.051 209 I HN 0.363 nan 8.210 nan 0.000 0.409 210 A N 0.821 123.626 122.820 -0.025 0.000 1.855 210 A HA -0.228 4.072 4.320 -0.033 0.000 0.215 210 A C 2.531 180.061 177.584 -0.090 0.000 1.191 210 A CA 2.316 54.323 52.037 -0.050 0.000 0.613 210 A CB -1.035 17.929 19.000 -0.060 0.000 0.829 210 A HN 0.515 nan 8.150 nan 0.000 0.442 211 S N -0.539 115.005 115.700 -0.261 0.000 2.382 211 S HA -0.132 4.317 4.470 -0.033 0.000 0.228 211 S C 2.062 176.651 174.600 -0.018 0.000 1.027 211 S CA 1.709 59.762 58.200 -0.244 0.000 0.991 211 S CB -0.699 62.142 63.200 -0.598 0.000 0.823 211 S HN 0.409 nan 8.310 nan 0.000 0.469 212 S N 1.929 117.686 115.700 0.095 0.000 2.353 212 S HA 0.052 4.502 4.470 -0.033 0.000 0.222 212 S C 1.799 176.496 174.600 0.161 0.000 1.035 212 S CA 1.559 59.889 58.200 0.217 0.000 1.025 212 S CB -0.549 62.901 63.200 0.417 0.000 0.902 212 S HN 0.548 nan 8.310 nan 0.000 0.440 213 I N 0.717 121.408 120.570 0.202 0.000 2.179 213 I HA -0.180 3.970 4.170 -0.033 0.000 0.242 213 I C 2.029 178.171 176.117 0.041 0.000 1.088 213 I CA 1.297 62.700 61.300 0.173 0.000 1.357 213 I CB -0.334 37.725 38.000 0.098 0.000 1.051 213 I HN 0.247 nan 8.210 nan 0.000 0.409 214 I N -0.163 120.407 120.570 -0.000 0.000 2.286 214 I HA -0.217 3.932 4.170 -0.033 0.000 0.245 214 I C 2.536 178.610 176.117 -0.071 0.000 1.104 214 I CA 1.181 62.461 61.300 -0.033 0.000 1.397 214 I CB -0.160 37.828 38.000 -0.021 0.000 1.072 214 I HN 0.062 nan 8.210 nan 0.000 0.417 215 S N -0.457 115.195 115.700 -0.081 0.000 2.436 215 S HA -0.039 4.411 4.470 -0.033 0.000 0.228 215 S C 1.409 175.897 174.600 -0.187 0.000 1.014 215 S CA 1.199 59.325 58.200 -0.122 0.000 0.950 215 S CB 0.034 63.181 63.200 -0.088 0.000 0.784 215 S HN 0.451 nan 8.310 nan 0.000 0.504 216 F N -0.798 118.866 119.950 -0.476 0.000 2.268 216 F HA 0.291 4.797 4.527 -0.035 0.000 0.262 216 F C 1.360 176.880 175.800 -0.466 0.000 0.910 216 F CA -0.226 57.355 58.000 -0.698 0.000 1.142 216 F CB -0.348 37.707 39.000 -1.576 0.000 1.229 216 F HN -0.024 nan 8.300 nan 0.000 0.781 217 Y N 1.399 121.519 120.300 -0.301 0.000 2.181 217 Y HA -0.174 4.356 4.550 -0.034 0.000 0.288 217 Y C 2.397 178.125 175.900 -0.285 0.000 1.146 217 Y CA 2.149 60.066 58.100 -0.306 0.000 1.164 217 Y CB -0.861 37.552 38.460 -0.080 0.000 0.982 217 Y HN 0.100 nan 8.280 nan 0.000 0.515 218 I N -0.188 120.343 120.570 -0.066 0.000 2.113 218 I HA -0.225 3.925 4.170 -0.033 0.000 0.238 218 I C -0.536 175.482 176.117 -0.164 0.000 1.070 218 I CA 1.173 62.413 61.300 -0.099 0.000 1.332 218 I CB -1.582 36.372 38.000 -0.077 0.000 1.044 218 I HN 0.124 nan 8.210 nan 0.000 0.402 219 P HA -0.197 nan 4.420 nan 0.000 0.216 219 P C 1.851 178.987 177.300 -0.273 0.000 1.150 219 P CA 1.245 64.204 63.100 -0.235 0.000 0.837 219 P CB -0.001 31.541 31.700 -0.264 0.000 0.786 220 L N -1.084 119.895 121.223 -0.407 0.000 2.042 220 L HA -0.166 4.154 4.340 -0.033 0.000 0.210 220 L C 2.213 178.961 176.870 -0.204 0.000 1.076 220 L CA 1.780 56.378 54.840 -0.403 0.000 0.749 220 L CB -1.222 40.412 42.059 -0.708 0.000 0.893 220 L HN -0.124 nan 8.230 nan 0.000 0.432 221 L N -0.946 120.183 121.223 -0.157 0.000 2.012 221 L HA -0.266 4.054 4.340 -0.033 0.000 0.210 221 L C 2.500 179.343 176.870 -0.046 0.000 1.073 221 L CA 1.757 56.547 54.840 -0.083 0.000 0.748 221 L CB -0.494 41.513 42.059 -0.087 0.000 0.891 221 L HN 0.299 nan 8.230 nan 0.000 0.431 222 I N -0.916 119.609 120.570 -0.075 0.000 2.142 222 I HA -0.378 3.772 4.170 -0.033 0.000 0.240 222 I C 2.683 178.807 176.117 0.012 0.000 1.078 222 I CA 1.510 62.795 61.300 -0.024 0.000 1.343 222 I CB -0.280 37.676 38.000 -0.073 0.000 1.046 222 I HN 0.332 nan 8.210 nan 0.000 0.405 223 M N 0.813 120.373 119.600 -0.067 0.000 2.082 223 M HA -0.260 4.200 4.480 -0.033 0.000 0.258 223 M C 2.425 178.699 176.300 -0.043 0.000 1.069 223 M CA 2.150 57.404 55.300 -0.077 0.000 1.102 223 M CB -0.171 32.351 32.600 -0.130 0.000 1.336 223 M HN 0.154 nan 8.290 nan 0.000 0.404 224 I N -0.362 120.191 120.570 -0.029 0.000 2.179 224 I HA -0.329 3.821 4.170 -0.033 0.000 0.242 224 I C 2.323 178.449 176.117 0.015 0.000 1.088 224 I CA 1.497 62.790 61.300 -0.012 0.000 1.357 224 I CB -0.568 37.428 38.000 -0.006 0.000 1.051 224 I HN 0.312 nan 8.210 nan 0.000 0.409 225 F N 1.173 121.068 119.950 -0.093 0.000 2.126 225 F HA -0.218 4.289 4.527 -0.033 0.000 0.299 225 F C 2.222 177.952 175.800 -0.116 0.000 1.096 225 F CA 1.687 59.630 58.000 -0.095 0.000 1.255 225 F CB -0.304 38.634 39.000 -0.103 0.000 0.997 225 F HN -0.215 nan 8.300 nan 0.000 0.479 226 V N 0.274 120.077 119.914 -0.185 0.000 2.488 226 V HA -0.119 3.981 4.120 -0.033 0.000 0.246 226 V C 2.717 178.683 176.094 -0.214 0.000 1.046 226 V CA 1.360 63.462 62.300 -0.329 0.000 1.053 226 V CB -1.244 30.482 31.823 -0.162 0.000 0.679 226 V HN 0.463 nan 8.190 nan 0.000 0.458 227 A N -0.143 122.608 122.820 -0.114 0.000 1.972 227 A HA -0.128 4.172 4.320 -0.033 0.000 0.219 227 A C 2.207 179.765 177.584 -0.044 0.000 1.169 227 A CA 1.538 53.541 52.037 -0.056 0.000 0.635 227 A CB -0.457 18.516 19.000 -0.044 0.000 0.810 227 A HN 0.495 nan 8.150 nan 0.000 0.446 228 L N -1.202 119.958 121.223 -0.104 0.000 2.056 228 L HA -0.154 4.166 4.340 -0.033 0.000 0.207 228 L C 2.910 179.766 176.870 -0.022 0.000 1.078 228 L CA 0.928 55.729 54.840 -0.066 0.000 0.749 228 L CB -0.492 41.503 42.059 -0.107 0.000 0.901 228 L HN 0.348 nan 8.230 nan 0.000 0.433 229 R N -0.080 120.320 120.500 -0.166 0.000 2.070 229 R HA -0.135 4.185 4.340 -0.033 0.000 0.232 229 R C 2.214 178.574 176.300 0.100 0.000 1.138 229 R CA 1.371 57.422 56.100 -0.082 0.000 0.936 229 R CB -1.051 29.079 30.300 -0.283 0.000 0.839 229 R HN 0.201 nan 8.270 nan 0.000 0.429 230 V N 0.824 120.822 119.914 0.141 0.000 2.363 230 V HA -0.316 3.784 4.120 -0.033 0.000 0.254 230 V C 2.150 178.281 176.094 0.062 0.000 1.074 230 V CA 2.123 64.500 62.300 0.128 0.000 1.069 230 V CB -0.756 31.127 31.823 0.099 0.000 0.659 230 V HN 0.314 nan 8.190 nan 0.000 0.455 231 Y N 0.774 121.043 120.300 -0.052 0.000 2.184 231 Y HA -0.161 4.369 4.550 -0.033 0.000 0.290 231 Y C 2.708 178.575 175.900 -0.055 0.000 1.129 231 Y CA 1.759 59.817 58.100 -0.069 0.000 1.144 231 Y CB -0.205 38.219 38.460 -0.060 0.000 0.995 231 Y HN 0.066 nan 8.280 nan 0.000 0.513 232 R N 0.146 120.657 120.500 0.019 0.000 2.080 232 R HA -0.166 4.154 4.340 -0.033 0.000 0.236 232 R C 2.211 178.453 176.300 -0.097 0.000 1.137 232 R CA 1.741 57.807 56.100 -0.057 0.000 0.943 232 R CB -0.284 30.029 30.300 0.021 0.000 0.846 232 R HN 0.321 nan 8.270 nan 0.000 0.431 233 E N 0.387 120.560 120.200 -0.045 0.000 2.097 233 E HA -0.224 4.105 4.350 -0.033 0.000 0.196 233 E C 1.962 178.512 176.600 -0.084 0.000 1.000 233 E CA 1.484 57.851 56.400 -0.055 0.000 0.804 233 E CB -0.293 29.376 29.700 -0.051 0.000 0.740 233 E HN 0.389 nan 8.360 nan 0.000 0.454 234 A N 1.517 124.249 122.820 -0.146 0.000 1.883 234 A HA -0.205 4.095 4.320 -0.033 0.000 0.217 234 A C 2.156 179.663 177.584 -0.127 0.000 1.186 234 A CA 1.676 53.586 52.037 -0.212 0.000 0.624 234 A CB -0.394 18.323 19.000 -0.472 0.000 0.822 234 A HN 0.085 nan 8.150 nan 0.000 0.444 235 K N -0.722 119.522 120.400 -0.259 0.000 2.148 235 K HA -0.111 4.189 4.320 -0.033 0.000 0.204 235 K C 2.032 178.577 176.600 -0.091 0.000 1.050 235 K CA 1.077 57.239 56.287 -0.209 0.000 0.942 235 K CB -0.109 32.175 32.500 -0.360 0.000 0.724 235 K HN 0.585 nan 8.250 nan 0.000 0.446 236 E N 0.811 120.964 120.200 -0.078 0.000 2.038 236 E HA -0.237 4.092 4.350 -0.033 0.000 0.195 236 E C 2.001 178.591 176.600 -0.017 0.000 1.000 236 E CA 1.347 57.723 56.400 -0.039 0.000 0.803 236 E CB 0.017 29.696 29.700 -0.035 0.000 0.750 236 E HN 0.335 nan 8.360 nan 0.000 0.448 237 Q N 0.081 119.882 119.800 0.001 0.000 2.268 237 Q HA -0.208 4.112 4.340 -0.033 0.000 0.210 237 Q C 2.060 178.060 176.000 0.001 0.000 0.988 237 Q CA 1.429 57.241 55.803 0.016 0.000 0.883 237 Q CB -0.449 28.327 28.738 0.064 0.000 0.911 237 Q HN 0.389 nan 8.270 nan 0.000 0.430 238 I N -1.969 118.610 120.570 0.015 0.000 3.620 238 I HA 0.042 4.192 4.170 -0.033 0.000 0.305 238 I C 0.479 176.585 176.117 -0.018 0.000 1.243 238 I CA 0.369 61.662 61.300 -0.012 0.000 1.196 238 I CB -0.162 37.841 38.000 0.006 0.000 1.004 238 I HN -0.140 nan 8.210 nan 0.000 0.487 239 R N 2.678 123.168 120.500 -0.017 0.000 2.216 239 R HA 0.252 4.572 4.340 -0.033 0.000 0.332 239 R C 0.018 176.308 176.300 -0.018 0.000 1.056 239 R CA -0.165 55.926 56.100 -0.016 0.000 0.901 239 R CB 0.278 30.570 30.300 -0.013 0.000 1.039 239 R HN 0.406 nan 8.270 nan 0.000 0.456 240 K N 2.348 122.738 120.400 -0.018 0.000 3.505 240 K HA -0.179 4.121 4.320 -0.033 0.000 0.255 240 K C 1.063 177.648 176.600 -0.025 0.000 1.210 240 K CA 0.942 57.218 56.287 -0.018 0.000 0.959 240 K CB -1.153 31.337 32.500 -0.016 0.000 1.400 240 K HN 0.624 nan 8.250 nan 0.000 0.544 241 I N 1.625 122.175 120.570 -0.032 0.000 2.353 241 I HA -0.180 3.970 4.170 -0.033 0.000 0.248 241 I C 1.124 177.223 176.117 -0.031 0.000 1.119 241 I CA 1.593 62.868 61.300 -0.042 0.000 1.417 241 I CB 0.109 38.071 38.000 -0.063 0.000 1.078 241 I HN 0.156 nan 8.210 nan 0.000 0.421 242 D N 0.883 121.268 120.400 -0.024 0.000 2.363 242 D HA -0.019 4.601 4.640 -0.033 0.000 0.220 242 D C 1.079 177.371 176.300 -0.014 0.000 0.994 242 D CA 0.278 54.267 54.000 -0.017 0.000 0.890 242 D CB -0.060 40.732 40.800 -0.012 0.000 0.906 242 D HN 0.309 nan 8.370 nan 0.000 0.530 273 S N 0.064 115.758 115.700 -0.010 0.000 2.727 273 S HA 0.145 4.595 4.470 -0.033 0.000 0.226 273 S C 0.984 175.578 174.600 -0.011 0.000 0.963 273 S CA 1.339 59.534 58.200 -0.009 0.000 0.950 273 S CB -0.285 62.910 63.200 -0.008 0.000 0.779 273 S HN 0.547 nan 8.310 nan 0.000 0.532 274 K N 0.262 120.654 120.400 -0.014 0.000 2.574 274 K HA 0.203 4.503 4.320 -0.033 0.000 0.215 274 K C 1.837 178.424 176.600 -0.021 0.000 1.485 274 K CA -0.069 56.208 56.287 -0.018 0.000 1.006 274 K CB 0.044 32.531 32.500 -0.020 0.000 1.254 274 K HN 0.313 nan 8.250 nan 0.000 0.580 275 R N 2.064 122.552 120.500 -0.020 0.000 2.316 275 R HA -0.097 4.223 4.340 -0.033 0.000 0.232 275 R C 1.529 177.816 176.300 -0.022 0.000 1.137 275 R CA 1.282 57.368 56.100 -0.022 0.000 1.012 275 R CB 0.018 30.307 30.300 -0.018 0.000 0.859 275 R HN -0.027 nan 8.270 nan 0.000 0.474 276 K N 0.383 120.772 120.400 -0.019 0.000 1.997 276 K HA -0.024 4.276 4.320 -0.033 0.000 0.212 276 K C 1.437 178.025 176.600 -0.021 0.000 1.033 276 K CA 2.024 58.301 56.287 -0.017 0.000 0.950 276 K CB -0.161 32.331 32.500 -0.014 0.000 0.751 276 K HN 0.185 nan 8.250 nan 0.000 0.444 277 T N 0.172 114.714 114.554 -0.021 0.000 3.040 277 T HA 0.054 4.383 4.350 -0.033 0.000 0.252 277 T C 1.952 176.634 174.700 -0.031 0.000 1.064 277 T CA 0.403 62.489 62.100 -0.023 0.000 1.110 277 T CB 0.190 69.047 68.868 -0.018 0.000 0.921 277 T HN 0.112 nan 8.240 nan 0.000 0.480 278 S N 0.928 116.609 115.700 -0.032 0.000 2.428 278 S HA 0.035 4.485 4.470 -0.033 0.000 0.230 278 S C 2.046 176.611 174.600 -0.059 0.000 1.014 278 S CA 0.685 58.861 58.200 -0.041 0.000 0.957 278 S CB 0.020 63.199 63.200 -0.035 0.000 0.784 278 S HN 0.394 nan 8.310 nan 0.000 0.499 279 R N 0.575 121.043 120.500 -0.054 0.000 2.087 279 R HA 0.087 4.407 4.340 -0.033 0.000 0.216 279 R C 1.983 178.241 176.300 -0.069 0.000 1.114 279 R CA 0.764 56.825 56.100 -0.066 0.000 1.002 279 R CB -0.308 29.962 30.300 -0.050 0.000 0.903 279 R HN 0.208 nan 8.270 nan 0.000 0.445 280 V N 1.742 121.626 119.914 -0.049 0.000 2.332 280 V HA -0.283 3.817 4.120 -0.033 0.000 0.248 280 V C 2.479 178.543 176.094 -0.050 0.000 1.055 280 V CA 1.593 63.868 62.300 -0.042 0.000 1.038 280 V CB -0.335 31.470 31.823 -0.029 0.000 0.651 280 V HN 0.362 nan 8.190 nan 0.000 0.450 281 M N -1.066 118.501 119.600 -0.054 0.000 2.175 281 M HA -0.075 4.385 4.480 -0.033 0.000 0.264 281 M C 2.155 178.408 176.300 -0.079 0.000 1.063 281 M CA 1.628 56.894 55.300 -0.056 0.000 1.119 281 M CB -1.193 31.377 32.600 -0.051 0.000 1.377 281 M HN 0.349 nan 8.290 nan 0.000 0.415 282 L N -0.057 121.093 121.223 -0.122 0.000 2.240 282 L HA -0.038 4.282 4.340 -0.033 0.000 0.211 282 L C 2.242 178.936 176.870 -0.293 0.000 1.106 282 L CA 1.044 55.747 54.840 -0.228 0.000 0.793 282 L CB -0.285 41.606 42.059 -0.280 0.000 0.927 282 L HN 0.129 nan 8.230 nan 0.000 0.446 283 M N -1.097 118.404 119.600 -0.165 0.000 2.156 283 M HA -0.135 4.325 4.480 -0.033 0.000 0.264 283 M C 2.394 178.688 176.300 -0.010 0.000 1.067 283 M CA 1.352 56.600 55.300 -0.088 0.000 1.131 283 M CB -1.020 31.550 32.600 -0.051 0.000 1.368 283 M HN 0.241 nan 8.290 nan 0.000 0.416 284 R N 0.356 120.847 120.500 -0.014 0.000 2.096 284 R HA -0.165 4.155 4.340 -0.033 0.000 0.235 284 R C 1.930 178.252 176.300 0.038 0.000 1.127 284 R CA 1.545 57.652 56.100 0.012 0.000 0.968 284 R CB -0.006 30.291 30.300 -0.004 0.000 0.861 284 R HN 0.453 nan 8.270 nan 0.000 0.440 285 E N -1.186 119.034 120.200 0.034 0.000 2.072 285 E HA -0.168 4.162 4.350 -0.033 0.000 0.191 285 E C 1.835 178.543 176.600 0.180 0.000 0.985 285 E CA 1.039 57.486 56.400 0.079 0.000 0.801 285 E CB -0.030 29.708 29.700 0.063 0.000 0.750 285 E HN 0.584 nan 8.360 nan 0.000 0.452 286 H N -0.134 118.934 119.070 -0.004 0.000 2.462 286 H HA -0.019 4.517 4.556 -0.033 0.000 0.292 286 H C 2.114 177.459 175.328 0.029 0.000 1.049 286 H CA 0.549 56.601 56.048 0.008 0.000 1.334 286 H CB 0.293 30.053 29.762 -0.004 0.000 1.404 286 H HN -0.015 nan 8.280 nan 0.000 0.544 287 K N 1.031 121.522 120.400 0.151 0.000 2.025 287 K HA -0.109 4.191 4.320 -0.033 0.000 0.207 287 K C 2.423 179.084 176.600 0.101 0.000 1.049 287 K CA 0.944 57.295 56.287 0.107 0.000 0.933 287 K CB -0.040 32.510 32.500 0.084 0.000 0.714 287 K HN 0.165 nan 8.250 nan 0.000 0.438 288 A N 1.521 124.400 122.820 0.097 0.000 1.908 288 A HA -0.163 4.137 4.320 -0.033 0.000 0.218 288 A C 2.132 179.771 177.584 0.091 0.000 1.181 288 A CA 1.269 53.364 52.037 0.097 0.000 0.627 288 A CB -0.649 18.399 19.000 0.080 0.000 0.818 288 A HN 0.301 nan 8.150 nan 0.000 0.445 289 L N -0.850 120.415 121.223 0.071 0.000 2.042 289 L HA -0.222 4.098 4.340 -0.033 0.000 0.210 289 L C 2.711 179.616 176.870 0.057 0.000 1.076 289 L CA 2.037 56.903 54.840 0.043 0.000 0.749 289 L CB -0.438 41.608 42.059 -0.022 0.000 0.893 289 L HN 0.464 nan 8.230 nan 0.000 0.432 290 K N -0.591 119.848 120.400 0.066 0.000 2.097 290 K HA -0.155 4.145 4.320 -0.033 0.000 0.206 290 K C 1.971 178.620 176.600 0.082 0.000 1.049 290 K CA 1.704 58.035 56.287 0.074 0.000 0.933 290 K CB 0.031 32.579 32.500 0.080 0.000 0.717 290 K HN 0.274 nan 8.250 nan 0.000 0.442 291 T N 1.934 116.548 114.554 0.100 0.000 2.684 291 T HA -0.146 4.184 4.350 -0.033 0.000 0.267 291 T C 1.778 176.555 174.700 0.129 0.000 1.036 291 T CA 1.320 63.495 62.100 0.124 0.000 1.148 291 T CB -0.148 68.820 68.868 0.166 0.000 0.863 291 T HN 0.170 nan 8.240 nan 0.000 0.436 292 L N 0.612 121.909 121.223 0.123 0.000 2.093 292 L HA 0.018 4.338 4.340 -0.033 0.000 0.208 292 L C 3.017 179.934 176.870 0.079 0.000 1.085 292 L CA 1.214 56.123 54.840 0.116 0.000 0.755 292 L CB -0.961 41.159 42.059 0.101 0.000 0.904 292 L HN 0.356 nan 8.230 nan 0.000 0.435 293 G N 0.429 109.267 108.800 0.064 0.000 2.422 293 G HA2 -0.202 3.738 3.960 -0.033 0.000 0.218 293 G HA3 -0.202 3.738 3.960 -0.033 0.000 0.218 293 G C 1.587 176.515 174.900 0.047 0.000 1.146 293 G CA 0.629 45.755 45.100 0.044 0.000 0.769 293 G HN 0.288 nan 8.290 nan 0.000 0.547 294 I N 0.820 121.424 120.570 0.056 0.000 2.252 294 I HA -0.114 4.036 4.170 -0.033 0.000 0.245 294 I C 2.519 178.670 176.117 0.058 0.000 1.102 294 I CA 0.365 61.696 61.300 0.050 0.000 1.385 294 I CB -0.162 37.865 38.000 0.045 0.000 1.064 294 I HN 0.045 nan 8.210 nan 0.000 0.414 295 I N 0.568 121.177 120.570 0.065 0.000 2.151 295 I HA -0.332 3.818 4.170 -0.033 0.000 0.243 295 I C 2.569 178.754 176.117 0.114 0.000 1.080 295 I CA 2.119 63.464 61.300 0.075 0.000 1.339 295 I CB -0.901 37.159 38.000 0.100 0.000 1.039 295 I HN 0.311 nan 8.210 nan 0.000 0.409 296 M N -0.188 119.462 119.600 0.084 0.000 2.175 296 M HA -0.088 4.372 4.480 -0.033 0.000 0.264 296 M C 2.254 178.636 176.300 0.137 0.000 1.063 296 M CA 1.833 57.181 55.300 0.080 0.000 1.119 296 M CB -0.692 31.922 32.600 0.023 0.000 1.377 296 M HN 0.295 nan 8.290 nan 0.000 0.415 297 G N -0.518 108.342 108.800 0.101 0.000 2.396 297 G HA2 -0.091 3.849 3.960 -0.033 0.000 0.214 297 G HA3 -0.091 3.849 3.960 -0.033 0.000 0.214 297 G C 1.477 176.445 174.900 0.115 0.000 1.166 297 G CA 0.368 45.522 45.100 0.091 0.000 0.793 297 G HN 0.262 nan 8.290 nan 0.000 0.533 298 V N 0.550 120.530 119.914 0.110 0.000 2.287 298 V HA -0.173 3.926 4.120 -0.033 0.000 0.248 298 V C 2.333 178.514 176.094 0.146 0.000 1.053 298 V CA 1.982 64.338 62.300 0.094 0.000 1.027 298 V CB -0.654 31.207 31.823 0.064 0.000 0.646 298 V HN 0.370 nan 8.190 nan 0.000 0.447 299 F N 1.322 121.330 119.950 0.096 0.000 2.091 299 F HA -0.268 4.238 4.527 -0.034 0.000 0.299 299 F C 2.475 178.431 175.800 0.261 0.000 1.103 299 F CA 2.467 60.585 58.000 0.197 0.000 1.228 299 F CB -0.638 38.474 39.000 0.187 0.000 0.984 299 F HN 0.145 nan 8.300 nan 0.000 0.477 300 T N 1.478 116.291 114.554 0.431 0.000 2.684 300 T HA -0.210 4.120 4.350 -0.033 0.000 0.267 300 T C 2.119 176.930 174.700 0.184 0.000 1.036 300 T CA 1.885 64.193 62.100 0.347 0.000 1.148 300 T CB -0.648 68.365 68.868 0.241 0.000 0.863 300 T HN 0.258 nan 8.240 nan 0.000 0.436 301 L N 0.345 121.622 121.223 0.091 0.000 2.131 301 L HA -0.091 4.228 4.340 -0.033 0.000 0.210 301 L C 2.716 179.531 176.870 -0.092 0.000 1.092 301 L CA 0.758 55.600 54.840 0.004 0.000 0.759 301 L CB -0.628 41.430 42.059 -0.002 0.000 0.903 301 L HN 0.396 nan 8.230 nan 0.000 0.435 302 C N -1.856 117.354 119.300 -0.151 0.000 2.464 302 C HA -0.098 4.342 4.460 -0.033 0.000 0.278 302 C C 2.216 176.871 174.990 -0.558 0.000 1.375 302 C CA 0.156 58.952 59.018 -0.372 0.000 1.761 302 C CB -0.961 26.497 27.740 -0.469 0.000 1.944 302 C HN 0.665 nan 8.230 nan 0.000 0.509 303 W N -1.010 120.121 121.300 -0.283 0.000 2.915 303 W HA 0.264 4.903 4.660 -0.035 0.000 0.276 303 W C 2.063 178.452 176.519 -0.217 0.000 1.215 303 W CA -0.396 56.769 57.345 -0.301 0.000 1.514 303 W CB -0.252 28.952 29.460 -0.427 0.000 1.017 303 W HN 0.031 nan 8.180 nan 0.000 0.598 304 L N 1.942 123.228 121.223 0.106 0.000 2.046 304 L HA -0.027 4.293 4.340 -0.033 0.000 0.208 304 L C -0.799 176.039 176.870 -0.054 0.000 1.077 304 L CA 2.146 57.065 54.840 0.132 0.000 0.747 304 L CB -1.689 40.495 42.059 0.208 0.000 0.896 304 L HN -0.243 nan 8.230 nan 0.000 0.432 305 P HA -0.205 nan 4.420 nan 0.000 0.215 305 P C 1.745 178.734 177.300 -0.520 0.000 1.157 305 P CA 1.400 64.130 63.100 -0.616 0.000 0.863 305 P CB -0.264 30.704 31.700 -1.221 0.000 0.787 306 F N -0.444 119.197 119.950 -0.515 0.000 2.095 306 F HA -0.194 4.315 4.527 -0.030 0.000 0.298 306 F C 1.912 177.463 175.800 -0.414 0.000 1.104 306 F CA 1.623 59.358 58.000 -0.441 0.000 1.232 306 F CB -0.925 37.751 39.000 -0.541 0.000 0.987 306 F HN -0.236 nan 8.300 nan 0.000 0.475 307 F N 0.073 119.848 119.950 -0.292 0.000 2.407 307 F HA -0.081 4.424 4.527 -0.036 0.000 0.299 307 F C 2.102 177.837 175.800 -0.108 0.000 1.097 307 F CA 0.836 58.611 58.000 -0.376 0.000 1.422 307 F CB -0.603 37.950 39.000 -0.745 0.000 1.067 307 F HN -0.022 nan 8.300 nan 0.000 0.539 308 L N -1.272 120.008 121.223 0.094 0.000 2.072 308 L HA -0.165 4.155 4.340 -0.033 0.000 0.205 308 L C 2.371 179.276 176.870 0.057 0.000 1.079 308 L CA 0.552 55.478 54.840 0.143 0.000 0.752 308 L CB -0.647 41.459 42.059 0.080 0.000 0.906 308 L HN -0.064 nan 8.230 nan 0.000 0.436 309 V N 0.179 120.065 119.914 -0.046 0.000 2.261 309 V HA -0.306 3.794 4.120 -0.033 0.000 0.246 309 V C 2.283 178.391 176.094 0.022 0.000 1.047 309 V CA 2.035 64.343 62.300 0.015 0.000 1.015 309 V CB -0.617 31.257 31.823 0.085 0.000 0.642 309 V HN 0.500 nan 8.190 nan 0.000 0.446 310 N N 0.123 118.713 118.700 -0.184 0.000 2.139 310 N HA -0.230 4.490 4.740 -0.033 0.000 0.199 310 N C 1.443 177.007 175.510 0.089 0.000 1.003 310 N CA 2.066 55.069 53.050 -0.078 0.000 0.892 310 N CB -0.230 38.046 38.487 -0.351 0.000 1.039 310 N HN 0.386 nan 8.380 nan 0.000 0.461 311 I N -0.658 119.999 120.570 0.145 0.000 2.480 311 I HA -0.078 4.072 4.170 -0.033 0.000 0.251 311 I C 2.088 178.367 176.117 0.271 0.000 1.124 311 I CA 0.470 61.906 61.300 0.227 0.000 1.444 311 I CB -1.068 37.090 38.000 0.263 0.000 1.098 311 I HN -0.027 nan 8.210 nan 0.000 0.428 312 V N 1.639 121.668 119.914 0.191 0.000 2.287 312 V HA -0.289 3.811 4.120 -0.033 0.000 0.248 312 V C 2.316 178.515 176.094 0.176 0.000 1.053 312 V CA 1.776 64.187 62.300 0.184 0.000 1.027 312 V CB -0.870 31.016 31.823 0.105 0.000 0.646 312 V HN 0.403 nan 8.190 nan 0.000 0.447 313 N N 0.123 118.887 118.700 0.106 0.000 2.132 313 N HA -0.163 4.557 4.740 -0.033 0.000 0.191 313 N C 1.726 177.242 175.510 0.010 0.000 1.015 313 N CA 1.446 54.516 53.050 0.033 0.000 0.864 313 N CB -0.503 37.968 38.487 -0.026 0.000 1.006 313 N HN 0.367 nan 8.380 nan 0.000 0.430 314 V N 0.168 120.093 119.914 0.018 0.000 2.332 314 V HA -0.208 3.892 4.120 -0.033 0.000 0.248 314 V C 1.701 177.647 176.094 -0.246 0.000 1.055 314 V CA 1.491 63.706 62.300 -0.141 0.000 1.038 314 V CB -0.545 31.151 31.823 -0.212 0.000 0.651 314 V HN 0.174 nan 8.190 nan 0.000 0.450 315 F N -0.871 119.077 119.950 -0.004 0.000 2.473 315 F HA 0.215 4.736 4.527 -0.011 0.000 0.294 315 F C 1.143 176.936 175.800 -0.011 0.000 1.103 315 F CA 0.617 58.613 58.000 -0.007 0.000 1.442 315 F CB 0.228 39.225 39.000 -0.006 0.000 1.097 315 F HN 0.164 nan 8.300 nan 0.000 0.547 316 N N -0.150 118.629 118.700 0.131 0.000 2.599 316 N HA 0.130 4.850 4.740 -0.033 0.000 0.283 316 N C 0.253 175.775 175.510 0.020 0.000 1.160 316 N CA -0.161 52.928 53.050 0.064 0.000 0.869 316 N CB 1.030 39.561 38.487 0.073 0.000 1.448 316 N HN 0.008 nan 8.380 nan 0.000 0.535 317 R N 0.822 121.315 120.500 -0.011 0.000 2.280 317 R HA 0.025 4.345 4.340 -0.033 0.000 0.207 317 R C 0.101 176.377 176.300 -0.040 0.000 1.043 317 R CA 0.549 56.624 56.100 -0.042 0.000 1.006 317 R CB 0.490 30.756 30.300 -0.057 0.000 0.885 317 R HN 0.508 nan 8.270 nan 0.000 0.467 318 D N 0.330 120.719 120.400 -0.019 0.000 2.324 318 D HA -0.035 4.585 4.640 -0.033 0.000 0.212 318 D C 1.715 178.008 176.300 -0.011 0.000 0.984 318 D CA 0.234 54.225 54.000 -0.015 0.000 0.885 318 D CB 0.253 41.050 40.800 -0.005 0.000 0.996 318 D HN 0.017 nan 8.370 nan 0.000 0.505 319 L N 0.892 122.115 121.223 -0.000 0.000 2.261 319 L HA -0.058 4.262 4.340 -0.033 0.000 0.216 319 L C 0.411 177.277 176.870 -0.008 0.000 1.114 319 L CA 1.134 55.978 54.840 0.007 0.000 0.777 319 L CB 0.147 42.220 42.059 0.023 0.000 0.910 319 L HN -0.249 nan 8.230 nan 0.000 0.440 320 V N 1.351 121.250 119.914 -0.026 0.000 2.444 320 V HA 0.387 4.487 4.120 -0.033 0.000 0.294 320 V C -2.115 173.909 176.094 -0.116 0.000 1.022 320 V CA -1.478 60.783 62.300 -0.064 0.000 0.850 320 V CB 1.684 33.499 31.823 -0.013 0.000 0.992 320 V HN 0.087 nan 8.190 nan 0.000 0.426 321 P HA 0.139 nan 4.420 nan 0.000 0.271 321 P C 0.602 177.747 177.300 -0.258 0.000 1.216 321 P CA -0.043 62.935 63.100 -0.203 0.000 0.776 321 P CB 0.877 32.441 31.700 -0.227 0.000 0.881 322 D N 2.159 122.518 120.400 -0.069 0.000 2.200 322 D HA -0.187 4.433 4.640 -0.033 0.000 0.192 322 D C 1.590 177.945 176.300 0.091 0.000 1.008 322 D CA 1.529 55.538 54.000 0.015 0.000 0.872 322 D CB -0.055 40.794 40.800 0.081 0.000 0.923 322 D HN 0.599 nan 8.370 nan 0.000 0.447 323 W N 0.351 121.684 121.300 0.056 0.000 2.436 323 W HA -0.055 4.586 4.660 -0.031 0.000 0.284 323 W C 1.786 178.310 176.519 0.009 0.000 1.225 323 W CA -0.192 57.183 57.345 0.050 0.000 1.271 323 W CB -1.189 28.276 29.460 0.009 0.000 1.114 323 W HN -0.051 nan 8.180 nan 0.000 0.559 324 L N 0.650 121.308 121.223 -0.942 0.000 2.072 324 L HA -0.028 4.292 4.340 -0.033 0.000 0.205 324 L C 2.665 179.196 176.870 -0.565 0.000 1.079 324 L CA 1.709 55.901 54.840 -1.080 0.000 0.752 324 L CB -1.417 39.823 42.059 -1.364 0.000 0.906 324 L HN -0.088 nan 8.230 nan 0.000 0.436 325 F N -0.485 119.259 119.950 -0.344 0.000 2.027 325 F HA -0.338 4.171 4.527 -0.031 0.000 0.297 325 F C 2.331 178.184 175.800 0.088 0.000 1.129 325 F CA 2.479 60.451 58.000 -0.046 0.000 1.195 325 F CB -0.660 38.329 39.000 -0.018 0.000 0.960 325 F HN -0.092 nan 8.300 nan 0.000 0.485 326 V N 0.479 120.571 119.914 0.297 0.000 2.324 326 V HA -0.373 3.727 4.120 -0.033 0.000 0.250 326 V C 2.660 178.906 176.094 0.254 0.000 1.060 326 V CA 1.868 64.343 62.300 0.292 0.000 1.042 326 V CB -1.712 30.349 31.823 0.397 0.000 0.650 326 V HN 0.560 nan 8.190 nan 0.000 0.450 327 A N -0.043 122.861 122.820 0.140 0.000 1.851 327 A HA -0.208 4.092 4.320 -0.033 0.000 0.216 327 A C 2.045 179.691 177.584 0.103 0.000 1.195 327 A CA 2.046 54.147 52.037 0.107 0.000 0.622 327 A CB -0.811 18.155 19.000 -0.057 0.000 0.831 327 A HN 0.425 nan 8.150 nan 0.000 0.444 328 F N 0.191 120.103 119.950 -0.063 0.000 2.120 328 F HA -0.213 4.292 4.527 -0.036 0.000 0.300 328 F C 2.168 177.737 175.800 -0.386 0.000 1.095 328 F CA 1.111 59.011 58.000 -0.167 0.000 1.249 328 F CB -1.425 37.499 39.000 -0.126 0.000 0.995 328 F HN 0.404 nan 8.300 nan 0.000 0.480 329 N N -1.505 117.007 118.700 -0.313 0.000 2.223 329 N HA -0.217 4.503 4.740 -0.033 0.000 0.185 329 N C 1.729 176.532 175.510 -1.178 0.000 1.016 329 N CA 0.927 53.384 53.050 -0.989 0.000 0.863 329 N CB -0.233 37.653 38.487 -1.002 0.000 0.983 329 N HN 0.234 nan 8.380 nan 0.000 0.429 330 W N 0.372 121.309 121.300 -0.605 0.000 2.476 330 W HA 0.036 4.676 4.660 -0.034 0.000 0.281 330 W C 1.920 178.229 176.519 -0.349 0.000 1.230 330 W CA -0.195 56.896 57.345 -0.422 0.000 1.287 330 W CB -0.308 29.074 29.460 -0.131 0.000 1.108 330 W HN 0.131 nan 8.180 nan 0.000 0.567 331 L N 0.774 121.913 121.223 -0.140 0.000 2.042 331 L HA -0.044 4.276 4.340 -0.033 0.000 0.210 331 L C 2.301 178.812 176.870 -0.598 0.000 1.076 331 L CA 2.524 57.222 54.840 -0.238 0.000 0.749 331 L CB -1.389 40.581 42.059 -0.149 0.000 0.893 331 L HN 0.024 nan 8.230 nan 0.000 0.432 332 G N -1.562 106.551 108.800 -1.144 0.000 2.433 332 G HA2 -0.316 3.624 3.960 -0.033 0.000 0.216 332 G HA3 -0.316 3.624 3.960 -0.033 0.000 0.216 332 G C 1.392 175.706 174.900 -0.977 0.000 1.186 332 G CA 0.951 44.694 45.100 -2.260 0.000 0.779 332 G HN 0.425 nan 8.290 nan 0.000 0.543 333 Y N 1.371 121.304 120.300 -0.610 0.000 2.207 333 Y HA -0.031 4.499 4.550 -0.033 0.000 0.287 333 Y C 3.111 178.954 175.900 -0.095 0.000 1.156 333 Y CA 0.148 58.115 58.100 -0.223 0.000 1.182 333 Y CB -1.157 37.137 38.460 -0.275 0.000 0.979 333 Y HN 0.281 nan 8.280 nan 0.000 0.521 334 A N 0.094 122.940 122.820 0.043 0.000 2.067 334 A HA -0.215 4.085 4.320 -0.033 0.000 0.219 334 A C 2.130 179.713 177.584 -0.001 0.000 1.158 334 A CA 1.457 53.527 52.037 0.054 0.000 0.661 334 A CB -1.004 18.018 19.000 0.037 0.000 0.801 334 A HN 0.521 nan 8.150 nan 0.000 0.452 335 N N 0.320 118.976 118.700 -0.073 0.000 2.272 335 N HA -0.127 4.593 4.740 -0.033 0.000 0.185 335 N C 1.446 177.003 175.510 0.079 0.000 1.014 335 N CA 1.663 54.700 53.050 -0.021 0.000 0.870 335 N CB -0.278 38.169 38.487 -0.068 0.000 0.975 335 N HN 0.280 nan 8.380 nan 0.000 0.433 336 S N -1.122 114.645 115.700 0.110 0.000 2.555 336 S HA 0.120 4.569 4.470 -0.033 0.000 0.230 336 S C 1.452 176.096 174.600 0.074 0.000 0.978 336 S CA 0.646 58.922 58.200 0.126 0.000 0.934 336 S CB -0.131 63.150 63.200 0.136 0.000 0.766 336 S HN 0.593 nan 8.310 nan 0.000 0.533 337 A N 0.235 123.082 122.820 0.046 0.000 2.252 337 A HA 0.346 4.646 4.320 -0.033 0.000 0.213 337 A C 1.794 179.367 177.584 -0.019 0.000 1.188 337 A CA 0.058 52.105 52.037 0.016 0.000 0.863 337 A CB -0.151 18.862 19.000 0.021 0.000 0.893 337 A HN 0.452 nan 8.150 nan 0.000 0.495 338 M N -0.521 119.065 119.600 -0.022 0.000 2.394 338 M HA -0.002 4.458 4.480 -0.033 0.000 0.266 338 M C 1.562 177.780 176.300 -0.137 0.000 1.098 338 M CA 0.660 55.927 55.300 -0.056 0.000 1.149 338 M CB -0.259 32.323 32.600 -0.031 0.000 1.369 338 M HN 0.279 nan 8.290 nan 0.000 0.450 339 N N 0.820 119.413 118.700 -0.179 0.000 2.069 339 N HA -0.101 4.619 4.740 -0.033 0.000 0.191 339 N C -0.973 174.128 175.510 -0.682 0.000 1.031 339 N CA 1.457 54.224 53.050 -0.472 0.000 0.852 339 N CB -1.780 36.487 38.487 -0.367 0.000 1.018 339 N HN 0.175 nan 8.380 nan 0.000 0.423 340 P HA -0.036 nan 4.420 nan 0.000 0.218 340 P C 1.332 178.575 177.300 -0.094 0.000 1.149 340 P CA 0.840 63.872 63.100 -0.114 0.000 0.817 340 P CB 0.090 31.734 31.700 -0.094 0.000 0.785 341 I N -1.250 119.247 120.570 -0.122 0.000 2.163 341 I HA -0.208 3.942 4.170 -0.033 0.000 0.240 341 I C 2.251 178.341 176.117 -0.044 0.000 1.081 341 I CA 1.353 62.618 61.300 -0.058 0.000 1.353 341 I CB -0.597 37.372 38.000 -0.051 0.000 1.054 341 I HN -0.159 nan 8.210 nan 0.000 0.407 342 I N -0.194 120.290 120.570 -0.143 0.000 2.248 342 I HA -0.333 3.817 4.170 -0.033 0.000 0.248 342 I C 2.184 178.278 176.117 -0.039 0.000 1.107 342 I CA 1.460 62.687 61.300 -0.122 0.000 1.373 342 I CB -0.448 37.433 38.000 -0.197 0.000 1.055 342 I HN 0.224 nan 8.210 nan 0.000 0.418 343 Y N -0.140 120.140 120.300 -0.033 0.000 2.574 343 Y HA -0.165 4.365 4.550 -0.033 0.000 0.294 343 Y C 2.502 178.421 175.900 0.030 0.000 1.142 343 Y CA -0.109 57.903 58.100 -0.147 0.000 1.314 343 Y CB -1.451 36.662 38.460 -0.579 0.000 0.991 343 Y HN 0.264 nan 8.280 nan 0.000 0.555 344 C N -0.339 119.119 119.300 0.264 0.000 2.485 344 C HA -0.082 4.358 4.460 -0.033 0.000 0.283 344 C C 2.465 177.562 174.990 0.177 0.000 1.478 344 C CA 0.290 59.463 59.018 0.257 0.000 1.741 344 C CB -1.489 26.384 27.740 0.222 0.000 1.675 344 C HN 0.468 nan 8.230 nan 0.000 0.573 345 R N 0.668 121.264 120.500 0.159 0.000 2.148 345 R HA -0.043 4.277 4.340 -0.033 0.000 0.223 345 R C 1.234 177.618 176.300 0.139 0.000 1.088 345 R CA 0.672 56.850 56.100 0.131 0.000 0.985 345 R CB -0.064 30.309 30.300 0.121 0.000 0.880 345 R HN 0.432 nan 8.270 nan 0.000 0.451 346 S N 0.790 116.602 115.700 0.186 0.000 2.452 346 S HA 0.191 4.641 4.470 -0.033 0.000 0.284 346 S C -1.922 172.757 174.600 0.131 0.000 1.171 346 S CA -1.874 56.434 58.200 0.181 0.000 1.064 346 S CB 1.389 64.773 63.200 0.307 0.000 0.967 346 S HN -0.155 nan 8.310 nan 0.000 0.484 347 P HA -0.117 nan 4.420 nan 0.000 0.216 347 P C 0.918 178.212 177.300 -0.010 0.000 1.153 347 P CA 1.164 64.285 63.100 0.034 0.000 0.858 347 P CB 0.093 31.803 31.700 0.017 0.000 0.789 348 D N -1.393 118.974 120.400 -0.055 0.000 2.092 348 D HA -0.147 4.473 4.640 -0.033 0.000 0.193 348 D C 1.910 178.051 176.300 -0.265 0.000 0.994 348 D CA 1.199 55.097 54.000 -0.170 0.000 0.828 348 D CB -0.671 39.980 40.800 -0.249 0.000 0.963 348 D HN 0.122 nan 8.370 nan 0.000 0.450 349 F N 1.233 121.026 119.950 -0.260 0.000 2.102 349 F HA -0.111 4.397 4.527 -0.033 0.000 0.298 349 F C 2.695 178.101 175.800 -0.657 0.000 1.105 349 F CA 1.007 58.668 58.000 -0.565 0.000 1.239 349 F CB -0.382 38.323 39.000 -0.491 0.000 0.991 349 F HN -0.184 nan 8.300 nan 0.000 0.474 350 R N 0.396 120.869 120.500 -0.045 0.000 2.083 350 R HA -0.209 4.111 4.340 -0.033 0.000 0.237 350 R C 2.201 178.544 176.300 0.072 0.000 1.137 350 R CA 1.820 57.980 56.100 0.101 0.000 0.951 350 R CB -0.197 30.179 30.300 0.127 0.000 0.851 350 R HN 0.123 nan 8.270 nan 0.000 0.434 351 K N -0.586 119.814 120.400 -0.001 0.000 2.057 351 K HA -0.099 4.200 4.320 -0.033 0.000 0.207 351 K C 1.928 178.525 176.600 -0.004 0.000 1.049 351 K CA 1.595 57.881 56.287 -0.001 0.000 0.931 351 K CB -0.106 32.375 32.500 -0.031 0.000 0.714 351 K HN 0.260 nan 8.250 nan 0.000 0.440 352 A N 0.072 122.842 122.820 -0.084 0.000 1.968 352 A HA -0.087 4.213 4.320 -0.033 0.000 0.217 352 A C 1.775 179.422 177.584 0.106 0.000 1.169 352 A CA 1.005 53.007 52.037 -0.057 0.000 0.638 352 A CB -0.497 18.397 19.000 -0.177 0.000 0.812 352 A HN 0.160 nan 8.150 nan 0.000 0.446 353 F N 0.373 120.383 119.950 0.101 0.000 2.113 353 F HA -0.051 4.456 4.527 -0.034 0.000 0.297 353 F C 2.205 178.045 175.800 0.068 0.000 1.103 353 F CA 1.365 59.427 58.000 0.102 0.000 1.248 353 F CB -0.843 38.232 39.000 0.126 0.000 0.999 353 F HN 0.139 nan 8.300 nan 0.000 0.475 354 K N -0.119 120.434 120.400 0.255 0.000 2.026 354 K HA -0.184 4.116 4.320 -0.033 0.000 0.208 354 K C 2.301 178.965 176.600 0.105 0.000 1.048 354 K CA 1.355 57.730 56.287 0.147 0.000 0.929 354 K CB -0.246 32.319 32.500 0.109 0.000 0.713 354 K HN 0.022 nan 8.250 nan 0.000 0.439 355 R N 1.016 121.569 120.500 0.089 0.000 2.091 355 R HA -0.149 4.171 4.340 -0.033 0.000 0.238 355 R C 2.175 178.517 176.300 0.071 0.000 1.136 355 R CA 1.421 57.557 56.100 0.061 0.000 0.959 355 R CB -0.298 30.025 30.300 0.037 0.000 0.856 355 R HN 0.168 nan 8.270 nan 0.000 0.437 356 L N 0.566 121.852 121.223 0.104 0.000 2.027 356 L HA -0.158 4.162 4.340 -0.033 0.000 0.206 356 L C 2.346 179.267 176.870 0.084 0.000 1.074 356 L CA 1.022 55.923 54.840 0.103 0.000 0.745 356 L CB -0.241 41.909 42.059 0.152 0.000 0.898 356 L HN 0.254 nan 8.230 nan 0.000 0.433 357 L N -0.231 121.048 121.223 0.093 0.000 2.549 357 L HA -0.025 4.295 4.340 -0.033 0.000 0.229 357 L C 1.297 178.195 176.870 0.047 0.000 1.158 357 L CA 0.203 55.080 54.840 0.062 0.000 0.842 357 L CB -0.769 41.326 42.059 0.060 0.000 0.952 357 L HN 0.391 nan 8.230 nan 0.000 0.452 358 A N 0.000 122.849 122.820 0.049 0.000 2.254 358 A HA 0.000 4.300 4.320 -0.033 0.000 0.244 358 A CA 0.000 52.059 52.037 0.036 0.000 0.836 358 A CB 0.000 19.017 19.000 0.029 0.000 0.831 358 A HN 0.000 nan 8.150 nan 0.000 0.486