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 2wvx_1_A DATA FIRST_RESID 20 DATA SEQUENCE KDWTQYVNPL XGSQSTFELS TGNTYPAIAR PWGXNFWTPQ TGKXGDGWQY DATA SEQUENCE TYTANKIRGF KQTHQPSPWI NDYGQFSIXP IVGQPVFDEE KRASWFAHKG DATA SEQUENCE EVATPYYYKV YLAEHDIVTE XTPTERAVLF RFTFPENDHS YVVVDAFDKG DATA SEQUENCE SYIKIIPEEN KIIGYTTRNS GGVPENFKNY FIIEFDKPFT YKATVENGNL DATA SEQUENCE QENVAEQTTD HAGAIIGFKT RKGEQVNARI ASSFISFEQA AANXNELGKD DATA SEQUENCE NIEQLAQKGK DAWNQVLGKI EVEGGNLDQY RTFYSCLYRS LLFPRKFYEL DATA SEQUENCE DANGQPIHYS PYNGQVLPGY XFTDTGFWDT FRCLFPLLNL XYPSVNKEXQ DATA SEQUENCE EGLINTYLES GFFPEWASPG HRGCXVGNNS ASILVDAYXK GVKVDDIKTL DATA SEQUENCE YEGLIHGTEN VHPEVSSTGR LGYEYYNKLG YVPYDVKINE NAARTLEYAY DATA SEQUENCE DDWCIYRLAK ELKRPKKEIS LFAKRAXNYK NLFDKESKLX RGRNEDGTFQ DATA SEQUENCE SPFSPLKWGD AFTEGNSWHY TWSVFHDPQG LIDLXGGKEX FVTXXDSVFA DATA SEQUENCE VPPIFDDSYY GQVIHEIREX TVXNXGNYAH GNQPIQHXIY LYDYAGQPWK DATA SEQUENCE AQYWLRQVXD RXYTPGPDGY CGDEDNGQTS AWYVFSALGF YPVCPGTDEY DATA SEQUENCE VXGTPLFKKA TLHFENGNSL VIDAPNNSTE NFYIDSXSFN GADHTKNYLR DATA SEQUENCE HEDLFKGGTI KVDXSNRPNL NRGTKEEDXP YSFSKE 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 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.060 176.600 -0.901 0.000 0.988 20 K CA 0.000 55.915 56.287 -0.619 0.000 0.838 20 K CB 0.000 32.066 32.500 -0.723 0.000 1.064 21 D N 0.916 120.801 120.400 -0.857 0.000 2.278 21 D HA 0.644 5.284 4.640 -0.001 0.000 0.245 21 D C 0.272 176.078 176.300 -0.822 0.000 1.052 21 D CA -0.342 53.268 54.000 -0.650 0.000 0.834 21 D CB 0.771 41.338 40.800 -0.389 0.000 1.194 21 D HN 0.554 nan 8.370 nan 0.000 0.481 22 W N 2.078 123.264 121.300 -0.190 0.000 2.940 22 W HA 0.013 4.673 4.660 -0.000 0.000 0.297 22 W C 1.844 178.240 176.519 -0.205 0.000 1.149 22 W CA 0.473 57.645 57.345 -0.290 0.000 1.564 22 W CB -0.217 28.930 29.460 -0.522 0.000 1.010 22 W HN 0.562 nan 8.180 nan 0.000 0.578 23 T N -0.485 114.105 114.554 0.060 0.000 2.881 23 T HA -0.299 4.051 4.350 -0.001 0.000 0.270 23 T C 1.707 176.376 174.700 -0.052 0.000 1.068 23 T CA 1.724 63.858 62.100 0.057 0.000 1.131 23 T CB -0.442 68.540 68.868 0.190 0.000 0.871 23 T HN 0.363 nan 8.240 nan 0.000 0.479 24 Q N -0.039 119.635 119.800 -0.210 0.000 2.234 24 Q HA -0.179 4.161 4.340 -0.001 0.000 0.206 24 Q C 1.410 177.252 176.000 -0.263 0.000 0.980 24 Q CA 1.505 57.124 55.803 -0.307 0.000 0.869 24 Q CB -0.793 27.631 28.738 -0.522 0.000 0.912 24 Q HN 0.643 nan 8.270 nan 0.000 0.436 25 Y N 0.532 120.859 120.300 0.044 0.000 2.500 25 Y HA 0.231 4.781 4.550 -0.001 0.000 0.270 25 Y C 0.628 176.603 175.900 0.124 0.000 1.134 25 Y CA -0.662 57.524 58.100 0.144 0.000 1.293 25 Y CB 0.625 39.267 38.460 0.303 0.000 1.063 25 Y HN -0.120 nan 8.280 nan 0.000 0.534 26 V N 2.323 122.317 119.914 0.134 0.000 2.470 26 V HA 0.040 4.160 4.120 -0.001 0.000 0.276 26 V C -0.016 175.998 176.094 -0.132 0.000 1.040 26 V CA -0.464 61.814 62.300 -0.037 0.000 1.008 26 V CB 0.552 32.201 31.823 -0.290 0.000 0.990 26 V HN 0.228 nan 8.190 nan 0.000 0.477 27 N N 7.291 125.943 118.700 -0.079 0.000 2.609 27 N HA 0.382 5.122 4.740 -0.001 0.000 0.234 27 N C -1.782 173.669 175.510 -0.098 0.000 1.001 27 N CA -2.166 50.840 53.050 -0.074 0.000 0.926 27 N CB 1.787 40.274 38.487 0.000 0.000 1.130 27 N HN 0.238 nan 8.380 nan 0.000 0.510 28 P HA -0.012 nan 4.420 nan 0.000 0.228 28 P C 0.094 177.411 177.300 0.029 0.000 1.151 28 P CA 0.825 63.855 63.100 -0.117 0.000 0.770 28 P CB 0.329 31.899 31.700 -0.216 0.000 0.786 32 S N -0.307 115.537 115.700 0.241 0.000 2.522 32 S HA 0.070 4.540 4.470 -0.001 0.000 0.227 32 S C 1.227 176.019 174.600 0.320 0.000 0.986 32 S CA 0.786 59.194 58.200 0.348 0.000 0.929 32 S CB 0.121 63.651 63.200 0.549 0.000 0.769 32 S HN 0.352 nan 8.310 nan 0.000 0.529 33 Q N 1.810 121.735 119.800 0.209 0.000 3.181 33 Q HA 0.400 4.740 4.340 -0.001 0.000 0.293 33 Q C -1.018 175.080 176.000 0.163 0.000 1.406 33 Q CA -0.269 55.639 55.803 0.175 0.000 1.026 33 Q CB -0.163 28.598 28.738 0.038 0.000 1.630 33 Q HN 0.378 nan 8.270 nan 0.000 0.553 34 S N 0.035 115.865 115.700 0.216 0.000 2.599 34 S HA 0.732 5.201 4.470 -0.001 0.000 0.287 34 S C -0.742 174.003 174.600 0.241 0.000 1.105 34 S CA -0.646 57.694 58.200 0.234 0.000 0.899 34 S CB 2.009 65.383 63.200 0.291 0.000 1.100 34 S HN 0.575 nan 8.310 nan 0.000 0.482 35 T N -1.127 113.520 114.554 0.154 0.000 2.864 35 T HA 0.525 4.875 4.350 -0.001 0.000 0.299 35 T C 0.546 175.141 174.700 -0.175 0.000 1.166 35 T CA -0.693 61.338 62.100 -0.115 0.000 1.007 35 T CB 0.519 69.316 68.868 -0.118 0.000 1.219 35 T HN 0.279 nan 8.240 nan 0.000 0.506 36 F N 1.929 121.324 119.950 -0.926 0.000 2.082 36 F HA -0.161 4.366 4.527 -0.001 0.000 0.298 36 F C 1.934 177.607 175.800 -0.212 0.000 1.091 36 F CA 2.232 59.809 58.000 -0.705 0.000 1.230 36 F CB -0.750 37.798 39.000 -0.753 0.000 0.983 36 F HN 0.711 nan 8.300 nan 0.000 0.485 37 E N -0.274 119.772 120.200 -0.257 0.000 2.204 37 E HA 0.048 4.398 4.350 -0.001 0.000 0.194 37 E C -0.059 176.469 176.600 -0.119 0.000 0.989 37 E CA 0.874 57.115 56.400 -0.264 0.000 0.824 37 E CB -0.112 29.494 29.700 -0.158 0.000 0.756 37 E HN 0.292 nan 8.360 nan 0.000 0.477 38 L N -0.617 120.571 121.223 -0.059 0.000 2.661 38 L HA 0.338 4.678 4.340 -0.001 0.000 0.263 38 L C -1.123 175.797 176.870 0.083 0.000 0.956 38 L CA -0.288 54.570 54.840 0.030 0.000 0.918 38 L CB 1.967 44.038 42.059 0.019 0.000 1.280 38 L HN -0.187 nan 8.230 nan 0.000 0.416 39 S N 1.596 117.385 115.700 0.149 0.000 2.525 39 S HA 0.637 5.107 4.470 -0.001 0.000 0.278 39 S C 0.695 175.394 174.600 0.165 0.000 1.234 39 S CA 0.308 58.620 58.200 0.187 0.000 1.058 39 S CB 0.841 64.197 63.200 0.260 0.000 0.983 39 S HN 0.799 nan 8.310 nan 0.000 0.495 40 T N 0.904 115.556 114.554 0.164 0.000 3.252 40 T HA 0.557 4.906 4.350 -0.001 0.000 0.286 40 T C 0.972 175.813 174.700 0.236 0.000 1.013 40 T CA 0.227 62.424 62.100 0.162 0.000 0.914 40 T CB 0.185 69.123 68.868 0.118 0.000 1.131 40 T HN 1.066 nan 8.240 nan 0.000 0.529 41 G N 1.476 110.386 108.800 0.184 0.000 3.382 41 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.214 41 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.214 41 G C 0.159 175.077 174.900 0.030 0.000 1.025 41 G CA -0.189 44.959 45.100 0.079 0.000 0.869 41 G HN 0.360 nan 8.290 nan 0.000 0.458 42 N N 1.474 120.232 118.700 0.096 0.000 2.725 42 N HA -0.144 4.596 4.740 -0.001 0.000 0.251 42 N C 0.396 175.885 175.510 -0.036 0.000 1.031 42 N CA 1.859 54.916 53.050 0.011 0.000 0.720 42 N CB -1.510 36.946 38.487 -0.051 0.000 0.930 42 N HN 1.311 nan 8.380 nan 0.000 0.543 43 T N -2.475 112.107 114.554 0.047 0.000 2.948 43 T HA 0.760 5.109 4.350 -0.001 0.000 0.285 43 T C 0.001 174.780 174.700 0.132 0.000 1.019 43 T CA -0.759 61.346 62.100 0.007 0.000 1.013 43 T CB 1.993 70.871 68.868 0.016 0.000 1.117 43 T HN 0.240 nan 8.240 nan 0.000 0.533 44 Y N -2.051 118.301 120.300 0.087 0.000 2.602 44 Y HA 0.757 5.307 4.550 -0.001 0.000 0.342 44 Y C -3.028 172.860 175.900 -0.019 0.000 1.029 44 Y CA -3.621 54.514 58.100 0.059 0.000 1.080 44 Y CB 0.456 38.945 38.460 0.047 0.000 1.284 44 Y HN 0.368 nan 8.280 nan 0.000 0.485 45 P HA 0.222 nan 4.420 nan 0.000 0.273 45 P C -0.721 176.596 177.300 0.028 0.000 1.319 45 P CA 0.133 63.180 63.100 -0.089 0.000 0.885 45 P CB 0.424 31.947 31.700 -0.294 0.000 1.015 46 A N 6.302 129.107 122.820 -0.025 0.000 2.437 46 A HA 0.330 4.650 4.320 -0.001 0.000 0.303 46 A C 0.358 177.888 177.584 -0.091 0.000 1.324 46 A CA -0.424 51.564 52.037 -0.082 0.000 0.983 46 A CB -0.500 18.193 19.000 -0.512 0.000 1.142 46 A HN 0.376 nan 8.150 nan 0.000 0.541 47 I N 2.280 122.839 120.570 -0.018 0.000 2.301 47 I HA 0.564 4.733 4.170 -0.001 0.000 0.292 47 I C 0.545 176.714 176.117 0.087 0.000 1.046 47 I CA 0.240 61.543 61.300 0.006 0.000 1.282 47 I CB -0.275 37.729 38.000 0.007 0.000 1.409 47 I HN 0.702 nan 8.210 nan 0.000 0.484 48 A N 7.164 130.055 122.820 0.119 0.000 2.586 48 A HA 0.693 5.013 4.320 -0.001 0.000 0.291 48 A C -0.489 177.335 177.584 0.400 0.000 1.062 48 A CA -0.885 51.261 52.037 0.181 0.000 0.666 48 A CB 1.668 20.513 19.000 -0.260 0.000 1.281 48 A HN 0.474 nan 8.150 nan 0.000 0.421 49 R N -0.068 120.613 120.500 0.301 0.000 2.577 49 R HA 0.481 4.820 4.340 -0.001 0.000 0.269 49 R C -2.637 173.624 176.300 -0.066 0.000 1.084 49 R CA -1.989 54.188 56.100 0.128 0.000 1.163 49 R CB -0.338 29.998 30.300 0.059 0.000 1.100 49 R HN 0.415 nan 8.270 nan 0.000 0.547 50 P HA -0.077 nan 4.420 nan 0.000 0.264 50 P C -0.290 176.886 177.300 -0.207 0.000 1.193 50 P CA 0.334 62.885 63.100 -0.915 0.000 0.763 50 P CB 0.200 31.140 31.700 -1.267 0.000 0.810 51 W N 0.384 121.717 121.300 0.056 0.000 4.973 51 W HA -0.167 4.493 4.660 -0.001 0.000 0.350 51 W C 0.796 177.448 176.519 0.222 0.000 1.280 51 W CA 0.815 58.264 57.345 0.174 0.000 0.854 51 W CB -2.389 27.187 29.460 0.194 0.000 2.367 51 W HN 0.468 nan 8.180 nan 0.000 1.511 55 F N 0.530 120.327 119.950 -0.254 0.000 2.432 55 F HA 0.597 5.124 4.527 -0.001 0.000 0.329 55 F C 0.059 175.647 175.800 -0.354 0.000 1.076 55 F CA -0.876 57.056 58.000 -0.114 0.000 1.018 55 F CB 0.813 39.798 39.000 -0.026 0.000 1.201 55 F HN 0.326 nan 8.300 nan 0.000 0.489 56 W N 0.278 121.642 121.300 0.107 0.000 2.736 56 W HA 0.581 5.240 4.660 -0.000 0.000 0.335 56 W C -0.278 176.205 176.519 -0.061 0.000 1.059 56 W CA -0.557 56.774 57.345 -0.023 0.000 1.226 56 W CB 2.142 31.572 29.460 -0.051 0.000 1.416 56 W HN 0.390 nan 8.180 nan 0.000 0.505 57 T N 3.933 118.529 114.554 0.070 0.000 2.923 57 T HA 0.471 4.820 4.350 -0.001 0.000 0.311 57 T C -2.829 171.787 174.700 -0.140 0.000 1.183 57 T CA -2.104 59.938 62.100 -0.096 0.000 1.020 57 T CB 1.430 70.228 68.868 -0.117 0.000 1.165 57 T HN 0.092 nan 8.240 nan 0.000 0.482 58 P HA 0.149 nan 4.420 nan 0.000 0.269 58 P C -1.179 176.031 177.300 -0.150 0.000 1.209 58 P CA -0.142 62.745 63.100 -0.354 0.000 0.776 58 P CB 0.530 31.993 31.700 -0.394 0.000 0.876 59 Q N 1.383 121.035 119.800 -0.246 0.000 2.327 59 Q HA 0.299 4.639 4.340 -0.001 0.000 0.270 59 Q C 0.464 176.371 176.000 -0.155 0.000 1.022 59 Q CA -0.404 55.321 55.803 -0.131 0.000 0.773 59 Q CB 1.160 29.820 28.738 -0.130 0.000 1.251 59 Q HN 0.519 nan 8.270 nan 0.000 0.457 60 T N -0.245 114.250 114.554 -0.099 0.000 3.034 60 T HA 0.262 4.612 4.350 -0.001 0.000 0.248 60 T C 0.909 175.544 174.700 -0.109 0.000 1.040 60 T CA 0.397 62.412 62.100 -0.143 0.000 1.107 60 T CB 0.202 68.952 68.868 -0.196 0.000 0.932 60 T HN 0.518 nan 8.240 nan 0.000 0.474 61 G N 1.751 110.512 108.800 -0.064 0.000 2.569 61 G HA2 0.435 4.394 3.960 -0.001 0.000 0.249 61 G HA3 0.435 4.394 3.960 -0.001 0.000 0.249 61 G C -0.158 174.700 174.900 -0.071 0.000 1.216 61 G CA -0.613 44.460 45.100 -0.044 0.000 0.845 61 G HN 0.344 nan 8.290 nan 0.000 0.568 65 D N 1.474 121.873 120.400 -0.002 0.000 2.348 65 D HA 0.411 5.051 4.640 -0.001 0.000 0.253 65 D C 1.720 178.050 176.300 0.050 0.000 1.161 65 D CA 0.532 54.558 54.000 0.043 0.000 0.876 65 D CB 1.442 42.267 40.800 0.043 0.000 1.160 65 D HN 0.060 nan 8.370 nan 0.000 0.459 66 G N 3.663 112.500 108.800 0.062 0.000 2.470 66 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.220 66 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.220 66 G C 0.677 175.388 174.900 -0.314 0.000 1.121 66 G CA -0.139 44.833 45.100 -0.213 0.000 0.766 66 G HN 0.587 nan 8.290 nan 0.000 0.553 67 W N 2.223 123.434 121.300 -0.147 0.000 1.864 67 W HA 0.218 4.877 4.660 -0.001 0.000 0.425 67 W C 1.390 177.878 176.519 -0.052 0.000 0.791 67 W CA -0.476 56.816 57.345 -0.088 0.000 1.650 67 W CB -0.042 29.359 29.460 -0.098 0.000 1.791 67 W HN 0.516 nan 8.180 nan 0.000 0.266 68 Q N 0.966 120.794 119.800 0.047 0.000 2.311 68 Q HA -0.132 4.208 4.340 -0.001 0.000 0.203 68 Q C -0.089 175.967 176.000 0.094 0.000 0.954 68 Q CA 1.037 56.847 55.803 0.012 0.000 0.885 68 Q CB 0.194 28.861 28.738 -0.118 0.000 0.963 68 Q HN 0.382 nan 8.270 nan 0.000 0.471 69 Y N 1.359 121.686 120.300 0.045 0.000 2.361 69 Y HA 0.377 4.927 4.550 -0.001 0.000 0.328 69 Y C -1.362 174.649 175.900 0.184 0.000 1.044 69 Y CA -0.592 57.566 58.100 0.096 0.000 1.085 69 Y CB 2.120 40.644 38.460 0.107 0.000 1.194 69 Y HN 0.102 nan 8.280 nan 0.000 0.438 70 T N 1.875 116.333 114.554 -0.159 0.000 2.893 70 T HA 0.186 4.535 4.350 -0.001 0.000 0.293 70 T C 0.048 174.695 174.700 -0.088 0.000 1.027 70 T CA -0.578 61.544 62.100 0.036 0.000 0.988 70 T CB 1.196 70.126 68.868 0.103 0.000 1.043 70 T HN 0.731 nan 8.240 nan 0.000 0.461 71 Y N 2.851 123.179 120.300 0.046 0.000 2.274 71 Y HA -0.086 4.464 4.550 -0.001 0.000 0.290 71 Y C 2.597 178.588 175.900 0.151 0.000 1.145 71 Y CA 2.260 60.432 58.100 0.120 0.000 1.203 71 Y CB -0.139 38.368 38.460 0.077 0.000 0.984 71 Y HN 0.878 nan 8.280 nan 0.000 0.533 72 T N -1.655 112.987 114.554 0.146 0.000 3.129 72 T HA 0.350 4.700 4.350 -0.001 0.000 0.251 72 T C 0.813 175.457 174.700 -0.093 0.000 1.117 72 T CA 0.160 62.290 62.100 0.051 0.000 1.034 72 T CB -0.569 68.342 68.868 0.071 0.000 0.968 72 T HN 0.333 nan 8.240 nan 0.000 0.526 73 A N 1.852 124.590 122.820 -0.137 0.000 2.462 73 A HA 0.414 4.733 4.320 -0.001 0.000 0.243 73 A C 1.092 178.470 177.584 -0.343 0.000 1.076 73 A CA -0.568 51.343 52.037 -0.209 0.000 0.773 73 A CB 0.149 19.042 19.000 -0.178 0.000 1.010 73 A HN 0.311 nan 8.150 nan 0.000 0.493 74 N N 0.412 118.825 118.700 -0.479 0.000 2.325 74 N HA 0.075 4.815 4.740 -0.001 0.000 0.182 74 N C -0.367 174.747 175.510 -0.661 0.000 1.088 74 N CA 0.771 53.305 53.050 -0.860 0.000 0.879 74 N CB 0.317 37.888 38.487 -1.526 0.000 0.983 74 N HN 0.628 nan 8.380 nan 0.000 0.471 75 K N 0.385 120.622 120.400 -0.272 0.000 2.422 75 K HA 0.479 4.799 4.320 -0.001 0.000 0.251 75 K C -0.800 175.767 176.600 -0.056 0.000 0.933 75 K CA -0.517 55.696 56.287 -0.125 0.000 0.798 75 K CB 2.678 35.008 32.500 -0.283 0.000 1.238 75 K HN -0.158 nan 8.250 nan 0.000 0.428 76 I N 3.007 123.501 120.570 -0.128 0.000 2.392 76 I HA 0.287 4.456 4.170 -0.001 0.000 0.295 76 I C 1.256 177.238 176.117 -0.224 0.000 0.985 76 I CA -0.347 60.771 61.300 -0.304 0.000 1.221 76 I CB 1.264 38.941 38.000 -0.538 0.000 1.366 76 I HN 0.680 nan 8.210 nan 0.000 0.467 77 R N 3.978 124.336 120.500 -0.236 0.000 2.476 77 R HA 0.509 4.849 4.340 -0.001 0.000 0.276 77 R C 0.188 176.380 176.300 -0.180 0.000 0.941 77 R CA -0.220 55.778 56.100 -0.170 0.000 1.088 77 R CB 0.910 31.120 30.300 -0.150 0.000 1.216 77 R HN 0.712 nan 8.270 nan 0.000 0.533 78 G N 0.543 109.171 108.800 -0.286 0.000 2.466 78 G HA2 0.423 4.382 3.960 -0.001 0.000 0.291 78 G HA3 0.423 4.382 3.960 -0.001 0.000 0.291 78 G C -1.910 172.717 174.900 -0.455 0.000 1.460 78 G CA -0.891 44.081 45.100 -0.214 0.000 0.791 78 G HN 0.039 nan 8.290 nan 0.000 0.505 79 F N 1.059 121.064 119.950 0.092 0.000 2.402 79 F HA 0.614 5.141 4.527 -0.001 0.000 0.355 79 F C 0.543 176.480 175.800 0.228 0.000 1.123 79 F CA -0.650 57.477 58.000 0.211 0.000 1.021 79 F CB 2.330 41.588 39.000 0.430 0.000 1.160 79 F HN 0.304 nan 8.300 nan 0.000 0.451 80 K N 3.436 123.930 120.400 0.157 0.000 2.270 80 K HA 0.314 4.633 4.320 -0.001 0.000 0.255 80 K C -0.821 175.342 176.600 -0.727 0.000 0.936 80 K CA -0.718 55.416 56.287 -0.255 0.000 0.809 80 K CB 1.669 34.019 32.500 -0.250 0.000 1.131 80 K HN 0.716 nan 8.250 nan 0.000 0.427 81 Q N 2.542 121.430 119.800 -1.520 0.000 2.288 81 Q HA 0.130 4.469 4.340 -0.001 0.000 0.258 81 Q C -1.160 174.201 176.000 -1.066 0.000 0.957 81 Q CA 0.191 54.858 55.803 -1.893 0.000 0.919 81 Q CB 1.300 28.814 28.738 -2.041 0.000 1.185 81 Q HN 0.648 nan 8.270 nan 0.000 0.408 82 T N 2.237 116.237 114.554 -0.923 0.000 2.896 82 T HA 0.404 4.754 4.350 -0.001 0.000 0.297 82 T C -0.879 173.297 174.700 -0.873 0.000 1.108 82 T CA -0.469 61.212 62.100 -0.698 0.000 1.004 82 T CB 1.017 69.555 68.868 -0.550 0.000 1.159 82 T HN 0.801 nan 8.240 nan 0.000 0.499 83 H N 0.503 119.363 119.070 -0.349 0.000 3.078 83 H HA 0.359 4.915 4.556 -0.001 0.000 0.263 83 H C 0.489 175.808 175.328 -0.015 0.000 1.177 83 H CA -0.376 55.470 56.048 -0.336 0.000 1.128 83 H CB 0.615 29.908 29.762 -0.781 0.000 1.623 83 H HN 0.447 nan 8.280 nan 0.000 0.592 84 Q N 3.545 123.406 119.800 0.102 0.000 2.289 84 Q HA 0.038 4.377 4.340 -0.001 0.000 0.273 84 Q C -1.675 174.590 176.000 0.441 0.000 1.029 84 Q CA -1.499 54.431 55.803 0.211 0.000 0.896 84 Q CB 1.095 29.859 28.738 0.043 0.000 1.182 84 Q HN 0.197 nan 8.270 nan 0.000 0.385 85 P HA 0.035 nan 4.420 nan 0.000 0.238 85 P C -0.561 176.706 177.300 -0.056 0.000 1.183 85 P CA 0.430 63.514 63.100 -0.027 0.000 0.813 85 P CB 0.579 32.344 31.700 0.107 0.000 0.944 86 S N -1.981 113.724 115.700 0.008 0.000 2.567 86 S HA 0.408 4.878 4.470 -0.001 0.000 0.270 86 S C -2.687 171.758 174.600 -0.258 0.000 1.152 86 S CA -1.107 57.047 58.200 -0.076 0.000 0.835 86 S CB 1.542 64.783 63.200 0.068 0.000 1.115 86 S HN -0.271 nan 8.310 nan 0.000 0.459 87 P HA 0.013 nan 4.420 nan 0.000 0.221 87 P C 0.797 177.671 177.300 -0.710 0.000 1.150 87 P CA 1.066 63.574 63.100 -0.986 0.000 0.800 87 P CB -0.246 30.147 31.700 -2.178 0.000 0.787 88 W N -0.046 121.113 121.300 -0.234 0.000 2.381 88 W HA -0.040 4.620 4.660 -0.000 0.000 0.301 88 W C 2.362 178.788 176.519 -0.156 0.000 1.205 88 W CA -0.023 57.255 57.345 -0.113 0.000 1.285 88 W CB -1.169 28.261 29.460 -0.050 0.000 1.133 88 W HN -0.196 nan 8.180 nan 0.000 0.521 89 I N 0.021 120.570 120.570 -0.035 0.000 2.315 89 I HA -0.194 3.976 4.170 -0.001 0.000 0.248 89 I C 1.418 177.486 176.117 -0.082 0.000 1.117 89 I CA 1.390 62.593 61.300 -0.162 0.000 1.404 89 I CB -1.436 36.352 38.000 -0.352 0.000 1.071 89 I HN 0.227 nan 8.210 nan 0.000 0.419 90 N N 0.789 119.441 118.700 -0.079 0.000 5.393 90 N HA -0.214 4.526 4.740 -0.001 0.000 0.330 90 N C -0.337 175.187 175.510 0.023 0.000 0.915 90 N CA 1.135 54.153 53.050 -0.053 0.000 1.070 90 N CB -0.531 37.935 38.487 -0.035 0.000 0.848 90 N HN 0.208 nan 8.380 nan 0.000 0.486 91 D N -0.962 119.467 120.400 0.048 0.000 2.450 91 D HA 0.751 5.390 4.640 -0.001 0.000 0.238 91 D C -0.888 175.526 176.300 0.190 0.000 1.020 91 D CA 0.030 54.074 54.000 0.074 0.000 1.010 91 D CB 0.994 41.783 40.800 -0.018 0.000 1.342 91 D HN 0.457 nan 8.370 nan 0.000 0.530 92 Y N -2.547 117.825 120.300 0.120 0.000 2.656 92 Y HA 0.484 5.034 4.550 -0.000 0.000 0.334 92 Y C 0.252 176.396 175.900 0.407 0.000 1.179 92 Y CA -1.034 57.171 58.100 0.175 0.000 1.050 92 Y CB 0.824 39.267 38.460 -0.028 0.000 1.308 92 Y HN 0.523 nan 8.280 nan 0.000 0.456 93 G N 2.081 111.272 108.800 0.651 0.000 2.350 93 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.298 93 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.298 93 G C -0.754 174.291 174.900 0.241 0.000 1.037 93 G CA 0.452 45.878 45.100 0.543 0.000 1.074 93 G HN 0.997 nan 8.290 nan 0.000 0.511 94 Q N -0.828 118.994 119.800 0.036 0.000 2.340 94 Q HA 0.837 5.177 4.340 -0.001 0.000 0.268 94 Q C -0.364 175.265 176.000 -0.618 0.000 1.031 94 Q CA -1.255 54.317 55.803 -0.386 0.000 0.804 94 Q CB 2.105 30.567 28.738 -0.460 0.000 1.286 94 Q HN 1.026 nan 8.270 nan 0.000 0.448 95 F N -0.923 118.507 119.950 -0.866 0.000 2.686 95 F HA 0.827 5.353 4.527 -0.001 0.000 0.311 95 F C -1.340 174.171 175.800 -0.482 0.000 1.128 95 F CA -0.755 56.782 58.000 -0.772 0.000 0.946 95 F CB 1.436 40.067 39.000 -0.616 0.000 1.336 95 F HN 0.717 nan 8.300 nan 0.000 0.457 96 S N 1.916 117.562 115.700 -0.089 0.000 2.661 96 S HA 0.867 5.337 4.470 -0.001 0.000 0.285 96 S C -1.458 173.234 174.600 0.153 0.000 1.138 96 S CA -0.664 57.525 58.200 -0.020 0.000 0.855 96 S CB 2.056 65.332 63.200 0.127 0.000 1.136 96 S HN 1.226 nan 8.310 nan 0.000 0.484 100 I N -0.878 119.558 120.570 -0.223 0.000 3.195 100 I HA 0.911 5.081 4.170 -0.001 0.000 0.313 100 I C -0.814 175.243 176.117 -0.101 0.000 1.237 100 I CA -1.245 59.700 61.300 -0.591 0.000 0.963 100 I CB 2.144 39.840 38.000 -0.507 0.000 1.278 100 I HN 0.284 nan 8.210 nan 0.000 0.460 101 V N -0.169 119.723 119.914 -0.037 0.000 3.141 101 V HA 1.060 5.180 4.120 -0.001 0.000 0.312 101 V C 0.336 176.561 176.094 0.219 0.000 1.157 101 V CA 0.324 62.730 62.300 0.176 0.000 1.041 101 V CB 0.652 32.605 31.823 0.216 0.000 1.071 101 V HN 1.874 nan 8.190 nan 0.000 0.441 102 G N 0.967 109.903 108.800 0.227 0.000 3.035 102 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.242 102 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.242 102 G C -0.392 174.599 174.900 0.153 0.000 1.524 102 G CA 0.146 45.351 45.100 0.175 0.000 1.038 102 G HN 1.069 nan 8.290 nan 0.000 0.561 103 Q N 2.366 122.185 119.800 0.031 0.000 2.235 103 Q HA 0.478 4.818 4.340 -0.001 0.000 0.250 103 Q C -2.331 173.468 176.000 -0.335 0.000 0.909 103 Q CA -1.657 54.074 55.803 -0.120 0.000 0.910 103 Q CB 1.497 30.169 28.738 -0.109 0.000 1.223 103 Q HN 0.463 nan 8.270 nan 0.000 0.432 104 P HA 0.054 nan 4.420 nan 0.000 0.273 104 P C -0.600 176.441 177.300 -0.432 0.000 1.319 104 P CA -0.091 62.385 63.100 -1.040 0.000 0.885 104 P CB 0.164 31.086 31.700 -1.298 0.000 1.015 105 V N 1.263 121.012 119.914 -0.275 0.000 2.540 105 V HA 0.438 4.557 4.120 -0.001 0.000 0.302 105 V C 0.372 176.441 176.094 -0.041 0.000 1.035 105 V CA -0.682 61.548 62.300 -0.117 0.000 0.873 105 V CB 1.660 33.434 31.823 -0.081 0.000 0.992 105 V HN 0.249 nan 8.190 nan 0.000 0.428 106 F N 2.275 122.141 119.950 -0.139 0.000 2.446 106 F HA 0.260 4.786 4.527 -0.001 0.000 0.292 106 F C 1.366 177.104 175.800 -0.104 0.000 1.096 106 F CA 0.351 58.277 58.000 -0.123 0.000 1.438 106 F CB 0.223 39.138 39.000 -0.142 0.000 1.107 106 F HN 0.826 nan 8.300 nan 0.000 0.546 107 D N 1.924 122.296 120.400 -0.047 0.000 2.533 107 D HA -0.144 4.495 4.640 -0.001 0.000 0.236 107 D C 1.109 177.294 176.300 -0.193 0.000 1.137 107 D CA 0.601 54.540 54.000 -0.102 0.000 0.867 107 D CB 0.866 41.642 40.800 -0.039 0.000 1.170 107 D HN 0.661 nan 8.370 nan 0.000 0.474 108 E N 2.580 122.649 120.200 -0.218 0.000 2.338 108 E HA -0.178 4.171 4.350 -0.001 0.000 0.197 108 E C 0.908 177.424 176.600 -0.140 0.000 1.007 108 E CA 0.963 57.234 56.400 -0.215 0.000 0.849 108 E CB 0.086 29.657 29.700 -0.215 0.000 0.774 108 E HN 0.588 nan 8.360 nan 0.000 0.506 109 E N 0.655 120.793 120.200 -0.105 0.000 2.075 109 E HA -0.066 4.284 4.350 -0.001 0.000 0.190 109 E C 2.128 178.695 176.600 -0.055 0.000 0.969 109 E CA 0.662 57.015 56.400 -0.078 0.000 0.815 109 E CB 0.246 29.908 29.700 -0.064 0.000 0.776 109 E HN 0.054 nan 8.360 nan 0.000 0.457 110 K N 1.117 121.488 120.400 -0.048 0.000 2.209 110 K HA -0.124 4.195 4.320 -0.001 0.000 0.204 110 K C 2.061 178.664 176.600 0.004 0.000 1.048 110 K CA 1.523 57.797 56.287 -0.022 0.000 0.940 110 K CB -0.550 31.936 32.500 -0.024 0.000 0.729 110 K HN 0.352 nan 8.250 nan 0.000 0.451 111 R N 0.275 120.763 120.500 -0.020 0.000 2.276 111 R HA 0.283 4.623 4.340 -0.001 0.000 0.196 111 R C 1.150 177.529 176.300 0.131 0.000 0.961 111 R CA 0.591 56.710 56.100 0.032 0.000 1.024 111 R CB -0.218 30.037 30.300 -0.075 0.000 0.940 111 R HN 0.199 nan 8.270 nan 0.000 0.480 112 A N 1.373 124.212 122.820 0.031 0.000 2.406 112 A HA 0.325 4.644 4.320 -0.001 0.000 0.243 112 A C -0.254 177.334 177.584 0.008 0.000 1.082 112 A CA 0.027 52.065 52.037 0.002 0.000 0.786 112 A CB 0.769 19.725 19.000 -0.072 0.000 1.029 112 A HN 0.340 nan 8.150 nan 0.000 0.495 113 S N -0.288 115.403 115.700 -0.015 0.000 2.571 113 S HA 0.478 4.948 4.470 -0.001 0.000 0.284 113 S C -0.997 173.644 174.600 0.068 0.000 1.128 113 S CA -0.554 57.626 58.200 -0.033 0.000 0.970 113 S CB 0.240 63.400 63.200 -0.067 0.000 1.039 113 S HN 0.576 nan 8.310 nan 0.000 0.485 114 W N 4.643 125.926 121.300 -0.028 0.000 2.377 114 W HA 0.265 4.925 4.660 -0.000 0.000 0.341 114 W C 0.230 176.837 176.519 0.146 0.000 1.240 114 W CA 0.759 58.118 57.345 0.025 0.000 1.311 114 W CB 0.229 29.663 29.460 -0.044 0.000 1.175 114 W HN 0.573 nan 8.180 nan 0.000 0.571 115 F N 0.904 120.941 119.950 0.144 0.000 2.715 115 F HA 0.896 5.423 4.527 -0.001 0.000 0.318 115 F C -1.044 174.811 175.800 0.092 0.000 1.141 115 F CA -2.186 55.882 58.000 0.115 0.000 0.950 115 F CB 0.593 39.614 39.000 0.036 0.000 1.374 115 F HN 0.392 nan 8.300 nan 0.000 0.477 116 A N -0.054 122.666 122.820 -0.167 0.000 2.454 116 A HA 0.555 4.875 4.320 -0.001 0.000 0.302 116 A C -0.011 177.446 177.584 -0.213 0.000 1.079 116 A CA -0.692 51.103 52.037 -0.403 0.000 0.731 116 A CB 0.596 19.543 19.000 -0.088 0.000 1.299 116 A HN 0.963 nan 8.150 nan 0.000 0.413 117 H N 0.822 119.823 119.070 -0.114 0.000 2.456 117 H HA -0.057 4.499 4.556 -0.001 0.000 0.296 117 H C 0.930 176.331 175.328 0.122 0.000 1.079 117 H CA 1.734 57.828 56.048 0.075 0.000 1.322 117 H CB 0.209 29.975 29.762 0.007 0.000 1.388 117 H HN 0.652 nan 8.280 nan 0.000 0.538 118 K N 0.209 120.710 120.400 0.169 0.000 2.486 118 K HA 0.021 4.341 4.320 -0.001 0.000 0.194 118 K C 1.540 178.210 176.600 0.117 0.000 1.033 118 K CA 0.520 56.885 56.287 0.131 0.000 1.004 118 K CB 0.400 32.956 32.500 0.093 0.000 0.798 118 K HN 0.157 nan 8.250 nan 0.000 0.495 119 G N 1.010 109.902 108.800 0.154 0.000 3.605 119 G HA2 0.004 3.963 3.960 -0.001 0.000 0.277 119 G HA3 0.004 3.963 3.960 -0.001 0.000 0.277 119 G C -0.506 174.507 174.900 0.188 0.000 1.093 119 G CA -0.187 45.019 45.100 0.176 0.000 0.821 119 G HN 0.123 nan 8.290 nan 0.000 0.532 120 E N 0.209 120.505 120.200 0.159 0.000 2.293 120 E HA 0.550 4.899 4.350 -0.001 0.000 0.270 120 E C -1.634 174.958 176.600 -0.013 0.000 0.879 120 E CA -0.574 55.873 56.400 0.078 0.000 0.756 120 E CB 2.779 32.649 29.700 0.284 0.000 1.208 120 E HN -0.107 nan 8.360 nan 0.000 0.428 121 V N 2.629 122.414 119.914 -0.215 0.000 2.409 121 V HA 0.585 4.705 4.120 -0.001 0.000 0.290 121 V C -0.623 175.299 176.094 -0.287 0.000 1.017 121 V CA -0.610 61.604 62.300 -0.143 0.000 0.841 121 V CB 1.254 33.055 31.823 -0.037 0.000 1.003 121 V HN 0.728 nan 8.190 nan 0.000 0.426 122 A N 3.884 126.640 122.820 -0.106 0.000 2.273 122 A HA 0.882 5.201 4.320 -0.001 0.000 0.315 122 A C 0.173 177.678 177.584 -0.131 0.000 1.256 122 A CA -0.236 51.787 52.037 -0.023 0.000 0.851 122 A CB 1.014 20.108 19.000 0.158 0.000 1.172 122 A HN 0.908 nan 8.150 nan 0.000 0.508 123 T N -0.333 114.074 114.554 -0.246 0.000 2.887 123 T HA 0.684 5.034 4.350 -0.001 0.000 0.292 123 T C -2.522 171.864 174.700 -0.524 0.000 1.087 123 T CA -1.817 60.006 62.100 -0.462 0.000 1.009 123 T CB 1.740 70.135 68.868 -0.789 0.000 1.203 123 T HN 0.113 nan 8.240 nan 0.000 0.518 124 P HA 0.024 nan 4.420 nan 0.000 0.222 124 P C 0.651 177.832 177.300 -0.198 0.000 1.147 124 P CA 0.838 63.572 63.100 -0.610 0.000 0.790 124 P CB -0.337 30.605 31.700 -1.265 0.000 0.780 125 Y N -4.332 115.947 120.300 -0.034 0.000 2.481 125 Y HA 0.484 5.034 4.550 -0.001 0.000 0.247 125 Y C 0.092 176.087 175.900 0.159 0.000 1.151 125 Y CA -1.168 57.012 58.100 0.134 0.000 1.238 125 Y CB -0.093 38.476 38.460 0.182 0.000 1.179 125 Y HN -0.175 nan 8.280 nan 0.000 0.524 126 Y N 0.522 120.596 120.300 -0.376 0.000 2.424 126 Y HA 0.460 5.009 4.550 -0.001 0.000 0.323 126 Y C -2.476 173.306 175.900 -0.197 0.000 1.174 126 Y CA -2.241 55.719 58.100 -0.232 0.000 1.060 126 Y CB 0.970 39.306 38.460 -0.207 0.000 1.314 126 Y HN 0.061 nan 8.280 nan 0.000 0.439 127 Y N 6.470 126.301 120.300 -0.781 0.000 2.391 127 Y HA 0.633 5.183 4.550 -0.001 0.000 0.341 127 Y C -1.407 174.019 175.900 -0.790 0.000 0.965 127 Y CA -0.832 56.901 58.100 -0.611 0.000 1.067 127 Y CB 1.455 39.738 38.460 -0.295 0.000 1.199 127 Y HN 0.696 nan 8.280 nan 0.000 0.450 128 K N 5.279 124.995 120.400 -1.140 0.000 2.422 128 K HA 0.812 5.132 4.320 -0.001 0.000 0.251 128 K C -2.351 173.917 176.600 -0.555 0.000 0.933 128 K CA -0.875 55.008 56.287 -0.674 0.000 0.798 128 K CB 2.265 34.538 32.500 -0.379 0.000 1.238 128 K HN 0.561 nan 8.250 nan 0.000 0.428 129 V N 4.009 123.837 119.914 -0.144 0.000 3.048 129 V HA 0.385 4.505 4.120 -0.001 0.000 0.303 129 V C -2.033 174.192 176.094 0.219 0.000 1.214 129 V CA -0.746 61.594 62.300 0.068 0.000 0.984 129 V CB 1.835 33.775 31.823 0.195 0.000 1.054 129 V HN 0.808 nan 8.190 nan 0.000 0.430 130 Y N 6.052 126.431 120.300 0.132 0.000 2.383 130 Y HA 0.603 5.153 4.550 -0.001 0.000 0.344 130 Y C -0.243 175.779 175.900 0.204 0.000 0.986 130 Y CA -0.669 57.517 58.100 0.144 0.000 1.175 130 Y CB 1.113 39.641 38.460 0.115 0.000 1.152 130 Y HN 0.580 nan 8.280 nan 0.000 0.511 131 L N 7.852 128.901 121.223 -0.291 0.000 2.334 131 L HA 0.313 4.652 4.340 -0.001 0.000 0.286 131 L C 1.299 177.861 176.870 -0.514 0.000 1.108 131 L CA -0.115 54.605 54.840 -0.201 0.000 0.875 131 L CB 0.561 42.643 42.059 0.038 0.000 1.246 131 L HN 0.920 nan 8.230 nan 0.000 0.439 132 A N 2.494 125.109 122.820 -0.342 0.000 1.972 132 A HA -0.152 4.168 4.320 -0.001 0.000 0.219 132 A C 2.010 179.498 177.584 -0.161 0.000 1.169 132 A CA 1.383 53.267 52.037 -0.255 0.000 0.635 132 A CB -0.141 18.900 19.000 0.067 0.000 0.810 132 A HN 0.785 nan 8.150 nan 0.000 0.446 133 E N -1.388 118.708 120.200 -0.174 0.000 2.371 133 E HA -0.071 4.279 4.350 -0.001 0.000 0.194 133 E C 1.029 177.444 176.600 -0.308 0.000 1.012 133 E CA 0.572 56.832 56.400 -0.232 0.000 0.860 133 E CB -0.012 29.532 29.700 -0.260 0.000 0.811 133 E HN 0.727 nan 8.360 nan 0.000 0.502 134 H N -0.425 118.621 119.070 -0.039 0.000 2.705 134 H HA 0.040 4.596 4.556 -0.001 0.000 0.269 134 H C 0.106 175.428 175.328 -0.009 0.000 0.998 134 H CA 0.405 56.450 56.048 -0.004 0.000 1.193 134 H CB 0.490 30.255 29.762 0.005 0.000 1.485 134 H HN 0.071 nan 8.280 nan 0.000 0.521 135 D N 0.906 121.292 120.400 -0.023 0.000 2.689 135 D HA -0.184 4.456 4.640 -0.001 0.000 0.237 135 D C -0.694 175.662 176.300 0.093 0.000 1.148 135 D CA 0.309 54.337 54.000 0.047 0.000 0.656 135 D CB -1.636 39.278 40.800 0.190 0.000 1.050 135 D HN 0.413 nan 8.370 nan 0.000 0.426 136 I N 0.076 120.604 120.570 -0.070 0.000 2.465 136 I HA 0.327 4.497 4.170 -0.001 0.000 0.291 136 I C 0.306 176.443 176.117 0.033 0.000 1.014 136 I CA -1.273 60.010 61.300 -0.029 0.000 1.093 136 I CB 2.084 39.997 38.000 -0.145 0.000 1.267 136 I HN -0.224 nan 8.210 nan 0.000 0.431 137 V N 4.844 124.840 119.914 0.138 0.000 2.465 137 V HA 0.347 4.467 4.120 -0.001 0.000 0.279 137 V C 0.199 176.347 176.094 0.090 0.000 1.045 137 V CA -0.169 62.236 62.300 0.174 0.000 0.938 137 V CB 1.419 33.351 31.823 0.181 0.000 0.986 137 V HN 0.725 nan 8.190 nan 0.000 0.467 138 T N 5.323 119.918 114.554 0.069 0.000 2.807 138 T HA 0.567 4.916 4.350 -0.001 0.000 0.279 138 T C -0.371 174.229 174.700 -0.168 0.000 0.993 138 T CA -0.518 61.554 62.100 -0.047 0.000 0.970 138 T CB 1.474 70.184 68.868 -0.264 0.000 0.950 138 T HN 0.778 nan 8.240 nan 0.000 0.441 142 P HA 0.543 nan 4.420 nan 0.000 0.281 142 P C 0.087 177.432 177.300 0.076 0.000 1.264 142 P CA -0.215 62.871 63.100 -0.024 0.000 0.824 142 P CB 1.634 33.398 31.700 0.106 0.000 1.092 143 T N -2.843 111.767 114.554 0.092 0.000 2.797 143 T HA 0.298 4.647 4.350 -0.001 0.000 0.267 143 T C 1.219 176.015 174.700 0.160 0.000 0.986 143 T CA -0.417 61.750 62.100 0.112 0.000 0.999 143 T CB 0.322 69.240 68.868 0.083 0.000 1.508 143 T HN 0.313 nan 8.240 nan 0.000 0.595 144 E N 0.178 120.461 120.200 0.138 0.000 2.110 144 E HA -0.070 4.280 4.350 -0.001 0.000 0.193 144 E C 1.903 178.612 176.600 0.183 0.000 0.988 144 E CA 0.983 57.476 56.400 0.154 0.000 0.804 144 E CB 0.004 29.763 29.700 0.099 0.000 0.745 144 E HN 0.459 nan 8.360 nan 0.000 0.458 145 R N -1.369 119.233 120.500 0.170 0.000 2.541 145 R HA 0.352 4.691 4.340 -0.001 0.000 0.332 145 R C -0.095 176.348 176.300 0.239 0.000 0.951 145 R CA -0.024 56.191 56.100 0.190 0.000 1.136 145 R CB 1.583 31.957 30.300 0.124 0.000 1.449 145 R HN -0.060 nan 8.270 nan 0.000 0.531 146 A N 0.539 123.485 122.820 0.211 0.000 2.483 146 A HA 0.828 5.148 4.320 -0.001 0.000 0.286 146 A C -1.381 176.250 177.584 0.079 0.000 1.207 146 A CA -0.664 51.481 52.037 0.180 0.000 0.764 146 A CB 2.198 21.265 19.000 0.112 0.000 1.341 146 A HN -0.057 nan 8.150 nan 0.000 0.428 147 V N -0.195 119.677 119.914 -0.071 0.000 3.077 147 V HA 0.618 4.737 4.120 -0.001 0.000 0.299 147 V C -2.113 173.806 176.094 -0.293 0.000 1.276 147 V CA -0.551 61.549 62.300 -0.334 0.000 0.993 147 V CB 1.934 33.195 31.823 -0.936 0.000 1.076 147 V HN 1.256 nan 8.190 nan 0.000 0.434 148 L N 5.674 126.704 121.223 -0.321 0.000 2.307 148 L HA 0.726 5.066 4.340 -0.001 0.000 0.284 148 L C -1.229 175.370 176.870 -0.452 0.000 1.023 148 L CA 0.191 54.878 54.840 -0.256 0.000 0.810 148 L CB 1.237 43.201 42.059 -0.158 0.000 1.231 148 L HN 0.584 nan 8.230 nan 0.000 0.423 149 F N 4.311 124.012 119.950 -0.415 0.000 2.443 149 F HA 0.595 5.121 4.527 -0.001 0.000 0.335 149 F C 0.288 175.720 175.800 -0.613 0.000 1.104 149 F CA -0.375 57.254 58.000 -0.619 0.000 1.013 149 F CB 1.434 39.929 39.000 -0.842 0.000 1.136 149 F HN 0.407 nan 8.300 nan 0.000 0.470 150 R N 4.163 124.404 120.500 -0.431 0.000 2.409 150 R HA 0.496 4.836 4.340 -0.001 0.000 0.313 150 R C -1.869 174.217 176.300 -0.355 0.000 0.953 150 R CA -0.458 55.460 56.100 -0.304 0.000 0.849 150 R CB 0.694 30.922 30.300 -0.120 0.000 1.171 150 R HN 0.550 nan 8.270 nan 0.000 0.458 151 F N 2.029 122.012 119.950 0.055 0.000 2.420 151 F HA 0.328 4.855 4.527 -0.001 0.000 0.342 151 F C 0.416 176.175 175.800 -0.067 0.000 1.113 151 F CA -0.788 57.157 58.000 -0.092 0.000 1.059 151 F CB 2.334 41.219 39.000 -0.191 0.000 1.128 151 F HN 0.278 nan 8.300 nan 0.000 0.475 152 T N 4.483 119.075 114.554 0.064 0.000 2.801 152 T HA 0.389 4.739 4.350 -0.001 0.000 0.306 152 T C -0.441 174.283 174.700 0.039 0.000 1.020 152 T CA -0.374 61.785 62.100 0.098 0.000 0.948 152 T CB -0.105 68.825 68.868 0.103 0.000 0.962 152 T HN 0.172 nan 8.240 nan 0.000 0.465 153 F N 5.006 125.053 119.950 0.161 0.000 2.370 153 F HA 0.457 4.984 4.527 -0.001 0.000 0.324 153 F C -1.541 174.328 175.800 0.115 0.000 1.116 153 F CA -2.090 55.993 58.000 0.138 0.000 1.123 153 F CB 0.904 39.979 39.000 0.124 0.000 1.238 153 F HN 0.316 nan 8.300 nan 0.000 0.536 154 P HA 0.086 nan 4.420 nan 0.000 0.281 154 P C -1.217 176.186 177.300 0.173 0.000 1.281 154 P CA -0.627 62.601 63.100 0.214 0.000 0.811 154 P CB 0.674 32.492 31.700 0.195 0.000 1.154 155 E N 1.184 121.451 120.200 0.113 0.000 2.366 155 E HA 0.078 4.427 4.350 -0.001 0.000 0.266 155 E C -0.565 176.070 176.600 0.058 0.000 1.015 155 E CA 0.088 56.529 56.400 0.068 0.000 0.906 155 E CB -0.097 29.632 29.700 0.048 0.000 0.979 155 E HN 0.295 nan 8.360 nan 0.000 0.443 156 N N 3.605 122.315 118.700 0.016 0.000 2.710 156 N HA 0.010 4.750 4.740 -0.001 0.000 0.257 156 N C -0.882 174.560 175.510 -0.113 0.000 1.140 156 N CA -0.470 52.574 53.050 -0.009 0.000 0.953 156 N CB 1.567 40.078 38.487 0.041 0.000 1.664 156 N HN 0.426 nan 8.380 nan 0.000 0.497 157 D N -0.014 120.270 120.400 -0.193 0.000 2.269 157 D HA -0.014 4.625 4.640 -0.001 0.000 0.208 157 D C -0.267 175.585 176.300 -0.747 0.000 0.963 157 D CA 1.365 55.089 54.000 -0.461 0.000 0.864 157 D CB 0.148 40.594 40.800 -0.590 0.000 0.936 157 D HN 0.387 nan 8.370 nan 0.000 0.505 158 H N -0.188 118.768 119.070 -0.189 0.000 2.569 158 H HA 0.372 4.927 4.556 -0.001 0.000 0.247 158 H C -0.545 174.431 175.328 -0.587 0.000 1.346 158 H CA -0.253 55.548 56.048 -0.411 0.000 1.502 158 H CB 0.492 30.171 29.762 -0.139 0.000 1.512 158 H HN -0.210 nan 8.280 nan 0.000 0.502 159 S N 2.160 117.448 115.700 -0.688 0.000 2.475 159 S HA 0.589 5.059 4.470 -0.001 0.000 0.298 159 S C -0.680 173.282 174.600 -1.063 0.000 1.119 159 S CA -0.455 57.385 58.200 -0.600 0.000 1.085 159 S CB 1.043 63.925 63.200 -0.529 0.000 1.028 159 S HN 0.357 nan 8.310 nan 0.000 0.489 160 Y N 0.103 120.202 120.300 -0.335 0.000 2.609 160 Y HA 0.642 5.192 4.550 -0.001 0.000 0.342 160 Y C -0.438 175.301 175.900 -0.268 0.000 1.058 160 Y CA -1.112 56.714 58.100 -0.458 0.000 1.055 160 Y CB 1.360 39.600 38.460 -0.367 0.000 1.292 160 Y HN 0.291 nan 8.280 nan 0.000 0.476 161 V N 2.423 122.253 119.914 -0.141 0.000 2.531 161 V HA 0.453 4.573 4.120 -0.001 0.000 0.301 161 V C -0.864 175.217 176.094 -0.022 0.000 1.034 161 V CA -0.910 61.350 62.300 -0.067 0.000 0.865 161 V CB 1.628 33.471 31.823 0.034 0.000 0.995 161 V HN 0.524 nan 8.190 nan 0.000 0.424 162 V N 5.610 125.525 119.914 0.003 0.000 2.407 162 V HA 0.455 4.574 4.120 -0.001 0.000 0.278 162 V C -0.083 176.101 176.094 0.150 0.000 1.037 162 V CA -0.508 61.835 62.300 0.072 0.000 0.900 162 V CB 1.748 33.579 31.823 0.012 0.000 0.983 162 V HN 0.606 nan 8.190 nan 0.000 0.459 163 V N 3.905 123.963 119.914 0.240 0.000 2.384 163 V HA 0.440 4.559 4.120 -0.001 0.000 0.287 163 V C -0.471 175.875 176.094 0.420 0.000 1.020 163 V CA -0.446 62.033 62.300 0.299 0.000 0.850 163 V CB 1.795 33.803 31.823 0.309 0.000 0.987 163 V HN 0.901 nan 8.190 nan 0.000 0.436 164 D N 3.943 124.591 120.400 0.412 0.000 2.440 164 D HA 0.519 5.158 4.640 -0.001 0.000 0.239 164 D C 0.535 177.191 176.300 0.594 0.000 1.084 164 D CA -0.394 53.947 54.000 0.568 0.000 0.843 164 D CB 2.128 43.119 40.800 0.320 0.000 1.097 164 D HN 0.552 nan 8.370 nan 0.000 0.531 165 A N 3.855 127.030 122.820 0.592 0.000 2.238 165 A HA 0.289 4.609 4.320 -0.001 0.000 0.208 165 A C 0.371 178.277 177.584 0.537 0.000 1.177 165 A CA -0.010 52.330 52.037 0.505 0.000 0.804 165 A CB -0.577 18.688 19.000 0.441 0.000 0.823 165 A HN 0.552 nan 8.150 nan 0.000 0.482 166 F N -0.757 119.328 119.950 0.226 0.000 2.183 166 F HA -0.173 4.354 4.527 -0.001 0.000 0.318 166 F C 0.467 176.059 175.800 -0.346 0.000 0.517 166 F CA 0.433 58.367 58.000 -0.109 0.000 0.912 166 F CB -1.006 37.994 39.000 0.000 0.000 4.135 166 F HN 0.568 nan 8.300 nan 0.000 0.137 167 D N 0.259 120.485 120.400 -0.290 0.000 2.567 167 D HA 0.429 5.069 4.640 -0.001 0.000 0.275 167 D C 0.182 176.512 176.300 0.050 0.000 1.195 167 D CA 0.148 54.041 54.000 -0.178 0.000 1.087 167 D CB 0.580 41.243 40.800 -0.229 0.000 1.165 167 D HN 0.474 nan 8.370 nan 0.000 0.609 168 K N -1.656 118.784 120.400 0.066 0.000 3.391 168 K HA -0.032 4.288 4.320 -0.001 0.000 0.307 168 K C 0.363 177.044 176.600 0.134 0.000 1.304 168 K CA 1.075 57.422 56.287 0.100 0.000 0.904 168 K CB -2.312 30.254 32.500 0.110 0.000 1.293 168 K HN 1.421 nan 8.250 nan 0.000 0.470 169 G N 0.092 108.978 108.800 0.144 0.000 3.373 169 G HA2 0.108 4.068 3.960 -0.001 0.000 0.685 169 G HA3 0.108 4.068 3.960 -0.001 0.000 0.685 169 G C -0.291 174.744 174.900 0.224 0.000 1.166 169 G CA 0.024 45.228 45.100 0.173 0.000 1.063 169 G HN 0.905 nan 8.290 nan 0.000 0.481 170 S N 1.076 116.879 115.700 0.171 0.000 2.720 170 S HA 0.907 5.377 4.470 -0.001 0.000 0.287 170 S C -0.986 173.542 174.600 -0.119 0.000 1.168 170 S CA -0.924 57.325 58.200 0.081 0.000 0.832 170 S CB 2.798 66.097 63.200 0.165 0.000 1.166 170 S HN 2.089 nan 8.310 nan 0.000 0.493 171 Y N -0.162 119.797 120.300 -0.568 0.000 2.544 171 Y HA 0.815 5.365 4.550 -0.001 0.000 0.342 171 Y C -1.951 173.733 175.900 -0.360 0.000 1.062 171 Y CA -1.072 56.673 58.100 -0.593 0.000 1.023 171 Y CB 1.405 39.160 38.460 -1.176 0.000 1.308 171 Y HN 0.992 nan 8.280 nan 0.000 0.457 172 I N 4.937 124.919 120.570 -0.981 0.000 2.752 172 I HA 0.538 4.708 4.170 -0.001 0.000 0.295 172 I C -1.929 173.665 176.117 -0.872 0.000 1.219 172 I CA -0.483 60.355 61.300 -0.770 0.000 1.030 172 I CB 2.037 39.872 38.000 -0.276 0.000 1.259 172 I HN 0.677 nan 8.210 nan 0.000 0.423 173 K N 7.613 127.651 120.400 -0.604 0.000 2.553 173 K HA 0.566 4.886 4.320 -0.001 0.000 0.250 173 K C -1.790 174.715 176.600 -0.158 0.000 0.953 173 K CA -0.537 55.535 56.287 -0.358 0.000 0.800 173 K CB 1.420 33.727 32.500 -0.321 0.000 1.243 173 K HN 0.586 nan 8.250 nan 0.000 0.435 174 I N 5.825 126.338 120.570 -0.094 0.000 2.342 174 I HA 0.285 4.455 4.170 -0.001 0.000 0.291 174 I C -0.014 176.144 176.117 0.068 0.000 1.010 174 I CA -0.647 60.656 61.300 0.006 0.000 1.308 174 I CB 1.042 39.013 38.000 -0.049 0.000 1.400 174 I HN 0.466 nan 8.210 nan 0.000 0.488 175 I N 8.588 129.254 120.570 0.161 0.000 2.557 175 I HA 0.227 4.397 4.170 -0.001 0.000 0.277 175 I C -1.767 174.451 176.117 0.168 0.000 1.106 175 I CA -1.503 59.870 61.300 0.122 0.000 1.180 175 I CB 0.969 39.009 38.000 0.066 0.000 1.392 175 I HN 0.354 nan 8.210 nan 0.000 0.506 176 P HA -0.171 nan 4.420 nan 0.000 0.218 176 P C 1.158 178.429 177.300 -0.048 0.000 1.149 176 P CA 1.168 64.327 63.100 0.099 0.000 0.817 176 P CB 0.108 31.892 31.700 0.139 0.000 0.785 177 E N 0.332 120.526 120.200 -0.010 0.000 2.472 177 E HA -0.141 4.209 4.350 -0.001 0.000 0.200 177 E C 0.904 177.482 176.600 -0.037 0.000 1.046 177 E CA 0.925 57.308 56.400 -0.029 0.000 0.871 177 E CB -0.641 29.052 29.700 -0.011 0.000 0.806 177 E HN 0.434 nan 8.360 nan 0.000 0.533 178 E N 0.361 120.543 120.200 -0.030 0.000 2.601 178 E HA 0.095 4.445 4.350 -0.001 0.000 0.219 178 E C -0.490 176.091 176.600 -0.031 0.000 0.964 178 E CA -0.329 56.063 56.400 -0.014 0.000 1.050 178 E CB 0.307 30.021 29.700 0.023 0.000 1.068 178 E HN 0.044 nan 8.360 nan 0.000 0.496 179 N N 1.952 120.547 118.700 -0.176 0.000 2.727 179 N HA -0.206 4.533 4.740 -0.001 0.000 0.249 179 N C -0.558 175.060 175.510 0.180 0.000 1.048 179 N CA 1.211 54.031 53.050 -0.384 0.000 0.714 179 N CB -1.031 37.336 38.487 -0.201 0.000 0.959 179 N HN 0.267 nan 8.380 nan 0.000 0.544 180 K N 0.210 120.824 120.400 0.355 0.000 2.385 180 K HA 0.714 5.034 4.320 -0.001 0.000 0.248 180 K C -0.842 176.046 176.600 0.480 0.000 0.955 180 K CA -0.660 55.881 56.287 0.423 0.000 0.816 180 K CB 1.555 34.173 32.500 0.198 0.000 1.250 180 K HN 0.080 nan 8.250 nan 0.000 0.434 181 I N 5.165 125.970 120.570 0.391 0.000 2.533 181 I HA 0.391 4.560 4.170 -0.001 0.000 0.290 181 I C -0.355 175.857 176.117 0.157 0.000 1.056 181 I CA -0.966 60.485 61.300 0.252 0.000 1.057 181 I CB 1.828 40.015 38.000 0.311 0.000 1.240 181 I HN 0.604 nan 8.210 nan 0.000 0.423 182 I N 2.038 122.595 120.570 -0.021 0.000 2.957 182 I HA 1.077 5.247 4.170 -0.001 0.000 0.310 182 I C -0.119 175.774 176.117 -0.373 0.000 1.063 182 I CA -0.487 60.724 61.300 -0.148 0.000 1.033 182 I CB 2.366 40.181 38.000 -0.308 0.000 1.230 182 I HN 0.622 nan 8.210 nan 0.000 0.447 183 G N 1.837 110.216 108.800 -0.702 0.000 2.495 183 G HA2 0.550 4.510 3.960 -0.001 0.000 0.294 183 G HA3 0.550 4.510 3.960 -0.001 0.000 0.294 183 G C -2.160 172.248 174.900 -0.820 0.000 1.397 183 G CA -0.599 43.993 45.100 -0.846 0.000 0.790 183 G HN 1.024 nan 8.290 nan 0.000 0.486 184 Y N -1.659 118.462 120.300 -0.297 0.000 2.553 184 Y HA 0.869 5.418 4.550 -0.001 0.000 0.347 184 Y C -0.348 175.560 175.900 0.013 0.000 1.019 184 Y CA -1.309 56.604 58.100 -0.311 0.000 1.032 184 Y CB 1.800 39.954 38.460 -0.510 0.000 1.284 184 Y HN 0.744 nan 8.280 nan 0.000 0.466 185 T N 0.252 114.985 114.554 0.299 0.000 2.887 185 T HA 0.532 4.882 4.350 -0.001 0.000 0.288 185 T C 0.291 175.105 174.700 0.191 0.000 1.021 185 T CA 0.142 62.419 62.100 0.295 0.000 1.000 185 T CB 1.289 70.329 68.868 0.285 0.000 1.034 185 T HN 1.164 nan 8.240 nan 0.000 0.467 186 T N 0.708 115.426 114.554 0.273 0.000 3.041 186 T HA 0.305 4.655 4.350 -0.001 0.000 0.276 186 T C 0.719 175.684 174.700 0.441 0.000 0.948 186 T CA -0.413 61.893 62.100 0.343 0.000 0.885 186 T CB -0.105 68.922 68.868 0.265 0.000 1.175 186 T HN 0.618 nan 8.240 nan 0.000 0.529 187 R N 3.160 123.861 120.500 0.334 0.000 2.504 187 R HA 0.148 4.488 4.340 -0.001 0.000 0.291 187 R C -0.201 176.267 176.300 0.280 0.000 0.974 187 R CA 0.673 56.936 56.100 0.273 0.000 1.077 187 R CB 0.095 30.560 30.300 0.275 0.000 0.926 187 R HN 0.744 nan 8.270 nan 0.000 0.407 188 N N 1.169 119.977 118.700 0.180 0.000 2.972 188 N HA 0.120 4.859 4.740 -0.001 0.000 0.262 188 N C -1.146 174.391 175.510 0.044 0.000 1.478 188 N CA -0.910 52.204 53.050 0.106 0.000 0.841 188 N CB 1.645 40.078 38.487 -0.089 0.000 1.512 188 N HN 0.330 nan 8.380 nan 0.000 0.548 189 S N -1.046 114.655 115.700 0.002 0.000 2.664 189 S HA 0.512 4.982 4.470 -0.001 0.000 0.245 189 S C 0.500 175.063 174.600 -0.062 0.000 1.019 189 S CA 0.114 58.307 58.200 -0.012 0.000 0.996 189 S CB -0.275 62.928 63.200 0.004 0.000 0.878 189 S HN 1.112 nan 8.310 nan 0.000 0.493 190 G N 0.382 109.121 108.800 -0.102 0.000 2.592 190 G HA2 0.361 4.321 3.960 -0.001 0.000 0.684 190 G HA3 0.361 4.321 3.960 -0.001 0.000 0.684 190 G C 0.388 175.164 174.900 -0.206 0.000 1.291 190 G CA -0.406 44.621 45.100 -0.122 0.000 0.891 190 G HN 1.193 nan 8.290 nan 0.000 0.544 191 G N -2.485 106.204 108.800 -0.185 0.000 2.176 191 G HA2 0.269 4.228 3.960 -0.001 0.000 0.252 191 G HA3 0.269 4.228 3.960 -0.001 0.000 0.252 191 G C 0.886 175.572 174.900 -0.358 0.000 1.024 191 G CA 1.535 46.488 45.100 -0.245 0.000 0.755 191 G HN 2.474 nan 8.290 nan 0.000 0.507 192 V N -3.532 116.202 119.914 -0.300 0.000 2.914 192 V HA 0.945 5.065 4.120 -0.001 0.000 0.314 192 V C -1.902 174.143 176.094 -0.082 0.000 1.084 192 V CA -2.616 59.501 62.300 -0.305 0.000 0.963 192 V CB 1.868 33.346 31.823 -0.575 0.000 1.025 192 V HN 0.060 nan 8.190 nan 0.000 0.432 193 P HA 0.345 nan 4.420 nan 0.000 0.273 193 P C 0.702 178.100 177.300 0.163 0.000 1.250 193 P CA -0.267 62.899 63.100 0.110 0.000 0.793 193 P CB 0.629 32.420 31.700 0.152 0.000 1.011 194 E N 0.597 120.872 120.200 0.126 0.000 2.118 194 E HA -0.203 4.146 4.350 -0.001 0.000 0.195 194 E C 0.961 177.643 176.600 0.137 0.000 0.992 194 E CA 1.231 57.701 56.400 0.117 0.000 0.804 194 E CB -0.266 29.483 29.700 0.083 0.000 0.741 194 E HN 0.490 nan 8.360 nan 0.000 0.458 195 N N 0.532 119.331 118.700 0.164 0.000 2.362 195 N HA -0.092 4.648 4.740 -0.001 0.000 0.204 195 N C -0.177 175.391 175.510 0.095 0.000 1.166 195 N CA -0.165 52.954 53.050 0.115 0.000 0.831 195 N CB -0.593 37.968 38.487 0.123 0.000 1.008 195 N HN -0.005 nan 8.380 nan 0.000 0.472 196 F N 2.265 122.242 119.950 0.046 0.000 2.571 196 F HA 0.197 4.724 4.527 -0.001 0.000 0.384 196 F C 0.042 175.738 175.800 -0.174 0.000 1.058 196 F CA 0.088 58.079 58.000 -0.015 0.000 1.200 196 F CB 0.331 39.372 39.000 0.068 0.000 1.077 196 F HN -0.043 nan 8.300 nan 0.000 0.558 197 K N 4.854 124.496 120.400 -1.263 0.000 2.532 197 K HA 0.228 4.548 4.320 -0.001 0.000 0.265 197 K C -1.411 174.392 176.600 -1.329 0.000 0.948 197 K CA -1.160 54.318 56.287 -1.349 0.000 0.842 197 K CB 1.943 33.559 32.500 -1.473 0.000 1.392 197 K HN 0.601 nan 8.250 nan 0.000 0.436 198 N N 2.270 120.398 118.700 -0.954 0.000 2.479 198 N HA 0.227 4.967 4.740 -0.001 0.000 0.261 198 N C -1.448 173.735 175.510 -0.545 0.000 0.979 198 N CA -0.334 52.297 53.050 -0.698 0.000 0.930 198 N CB 0.681 38.934 38.487 -0.390 0.000 1.172 198 N HN 0.425 nan 8.380 nan 0.000 0.499 199 Y N 3.820 123.841 120.300 -0.465 0.000 2.327 199 Y HA 0.323 4.873 4.550 -0.001 0.000 0.336 199 Y C 0.171 175.922 175.900 -0.249 0.000 1.035 199 Y CA -0.622 57.131 58.100 -0.578 0.000 1.165 199 Y CB 0.474 38.352 38.460 -0.969 0.000 1.181 199 Y HN 0.312 nan 8.280 nan 0.000 0.494 200 F N 1.199 121.139 119.950 -0.016 0.000 2.593 200 F HA 0.913 5.440 4.527 -0.001 0.000 0.320 200 F C -1.375 174.529 175.800 0.173 0.000 1.060 200 F CA -1.943 56.042 58.000 -0.024 0.000 0.940 200 F CB 1.290 39.976 39.000 -0.524 0.000 1.268 200 F HN 0.199 nan 8.300 nan 0.000 0.475 201 I N 3.024 123.821 120.570 0.378 0.000 2.569 201 I HA 0.457 4.627 4.170 -0.001 0.000 0.290 201 I C -1.177 175.111 176.117 0.285 0.000 1.088 201 I CA -0.692 60.777 61.300 0.282 0.000 1.047 201 I CB 2.436 40.566 38.000 0.217 0.000 1.237 201 I HN 0.578 nan 8.210 nan 0.000 0.421 202 I N 5.343 126.060 120.570 0.244 0.000 2.439 202 I HA 0.344 4.513 4.170 -0.001 0.000 0.285 202 I C -0.716 175.433 176.117 0.054 0.000 1.021 202 I CA -0.480 60.896 61.300 0.128 0.000 1.091 202 I CB 1.778 39.874 38.000 0.159 0.000 1.242 202 I HN 0.529 nan 8.210 nan 0.000 0.439 203 E N 5.957 126.135 120.200 -0.036 0.000 2.158 203 E HA 0.497 4.847 4.350 -0.001 0.000 0.271 203 E C -1.320 175.234 176.600 -0.077 0.000 0.911 203 E CA -0.593 55.826 56.400 0.032 0.000 0.767 203 E CB 1.948 31.683 29.700 0.059 0.000 1.120 203 E HN 0.279 nan 8.360 nan 0.000 0.405 204 F N 1.908 121.989 119.950 0.218 0.000 2.397 204 F HA 0.119 4.646 4.527 -0.001 0.000 0.331 204 F C 1.355 177.221 175.800 0.111 0.000 1.090 204 F CA -0.705 57.433 58.000 0.230 0.000 1.065 204 F CB 0.971 40.208 39.000 0.395 0.000 1.184 204 F HN 0.472 nan 8.300 nan 0.000 0.499 205 D N 0.701 121.259 120.400 0.264 0.000 2.336 205 D HA 0.017 4.657 4.640 -0.001 0.000 0.228 205 D C -0.106 176.245 176.300 0.084 0.000 1.120 205 D CA 0.066 54.144 54.000 0.129 0.000 0.839 205 D CB 0.013 40.862 40.800 0.082 0.000 0.932 205 D HN 0.413 nan 8.370 nan 0.000 0.509 206 K N 1.112 121.583 120.400 0.119 0.000 2.507 206 K HA 0.357 4.677 4.320 -0.001 0.000 0.251 206 K C -3.002 173.601 176.600 0.006 0.000 0.943 206 K CA -1.849 54.420 56.287 -0.030 0.000 0.794 206 K CB 2.513 34.856 32.500 -0.262 0.000 1.188 206 K HN -0.186 nan 8.250 nan 0.000 0.428 207 P HA 0.147 nan 4.420 nan 0.000 0.274 207 P C -0.823 176.531 177.300 0.089 0.000 1.237 207 P CA -0.266 62.746 63.100 -0.147 0.000 0.793 207 P CB 0.319 31.955 31.700 -0.107 0.000 0.977 208 F N -0.133 119.885 119.950 0.114 0.000 2.410 208 F HA 0.253 4.779 4.527 -0.001 0.000 0.348 208 F C 1.852 177.689 175.800 0.061 0.000 1.106 208 F CA -0.317 57.731 58.000 0.079 0.000 1.163 208 F CB -0.073 38.919 39.000 -0.013 0.000 1.129 208 F HN 0.193 nan 8.300 nan 0.000 0.516 209 T N 1.665 116.377 114.554 0.264 0.000 3.001 209 T HA 0.049 4.399 4.350 -0.001 0.000 0.251 209 T C -0.939 173.862 174.700 0.169 0.000 1.040 209 T CA 0.411 62.610 62.100 0.165 0.000 0.985 209 T CB -0.258 68.688 68.868 0.131 0.000 1.011 209 T HN 0.460 nan 8.240 nan 0.000 0.509 210 Y N 2.601 122.907 120.300 0.011 0.000 2.477 210 Y HA 0.566 5.115 4.550 -0.001 0.000 0.347 210 Y C -1.410 174.456 175.900 -0.057 0.000 0.981 210 Y CA -1.447 56.653 58.100 -0.001 0.000 1.033 210 Y CB 1.124 39.609 38.460 0.042 0.000 1.245 210 Y HN -0.065 nan 8.280 nan 0.000 0.455 211 K N 4.419 124.426 120.400 -0.655 0.000 2.550 211 K HA 0.932 5.252 4.320 -0.001 0.000 0.252 211 K C -2.226 174.019 176.600 -0.592 0.000 0.943 211 K CA -0.986 55.026 56.287 -0.458 0.000 0.806 211 K CB 1.982 34.347 32.500 -0.225 0.000 1.289 211 K HN 0.832 nan 8.250 nan 0.000 0.435 212 A N 1.509 124.111 122.820 -0.362 0.000 2.520 212 A HA 0.654 4.973 4.320 -0.001 0.000 0.298 212 A C -0.600 176.874 177.584 -0.183 0.000 1.051 212 A CA -0.675 51.202 52.037 -0.267 0.000 0.690 212 A CB 1.654 20.544 19.000 -0.183 0.000 1.281 212 A HN 0.831 nan 8.150 nan 0.000 0.402 213 T N -1.097 113.348 114.554 -0.183 0.000 2.912 213 T HA 0.758 5.107 4.350 -0.001 0.000 0.280 213 T C -0.290 174.268 174.700 -0.237 0.000 0.989 213 T CA -0.666 61.317 62.100 -0.195 0.000 0.995 213 T CB 1.351 70.111 68.868 -0.181 0.000 1.077 213 T HN 0.982 nan 8.240 nan 0.000 0.531 214 V N 1.609 121.326 119.914 -0.328 0.000 2.588 214 V HA 0.642 4.761 4.120 -0.001 0.000 0.304 214 V C -0.518 175.355 176.094 -0.370 0.000 1.042 214 V CA -0.777 61.256 62.300 -0.446 0.000 0.877 214 V CB 1.595 32.871 31.823 -0.912 0.000 0.996 214 V HN 1.064 nan 8.190 nan 0.000 0.425 215 E N 4.756 124.793 120.200 -0.272 0.000 2.279 215 E HA 0.274 4.624 4.350 -0.001 0.000 0.252 215 E C -0.200 176.318 176.600 -0.138 0.000 0.894 215 E CA -0.520 55.779 56.400 -0.168 0.000 0.785 215 E CB 0.916 30.550 29.700 -0.111 0.000 1.237 215 E HN 0.813 nan 8.360 nan 0.000 0.418 216 N N 3.584 122.218 118.700 -0.110 0.000 2.699 216 N HA -0.284 4.455 4.740 -0.001 0.000 0.256 216 N C 0.685 176.146 175.510 -0.082 0.000 0.993 216 N CA 0.630 53.646 53.050 -0.057 0.000 0.759 216 N CB -0.970 37.514 38.487 -0.005 0.000 0.906 216 N HN 0.920 nan 8.380 nan 0.000 0.541 217 G N -0.755 107.953 108.800 -0.153 0.000 2.179 217 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.260 217 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.260 217 G C -0.125 174.708 174.900 -0.112 0.000 0.977 217 G CA 0.223 45.258 45.100 -0.109 0.000 0.641 217 G HN 0.531 nan 8.290 nan 0.000 0.533 218 N N 0.448 119.068 118.700 -0.134 0.000 2.426 218 N HA 0.482 5.222 4.740 -0.001 0.000 0.275 218 N C -0.366 175.056 175.510 -0.146 0.000 1.019 218 N CA -0.506 52.477 53.050 -0.111 0.000 0.941 218 N CB 1.857 40.293 38.487 -0.085 0.000 1.123 218 N HN 0.137 nan 8.380 nan 0.000 0.486 219 L N 2.665 123.818 121.223 -0.117 0.000 2.360 219 L HA 0.109 4.449 4.340 -0.001 0.000 0.276 219 L C 0.021 176.829 176.870 -0.103 0.000 1.121 219 L CA 0.418 55.189 54.840 -0.115 0.000 0.845 219 L CB 0.175 42.193 42.059 -0.067 0.000 1.143 219 L HN 0.336 nan 8.230 nan 0.000 0.452 220 Q N 4.721 124.447 119.800 -0.125 0.000 2.523 220 Q HA 0.213 4.553 4.340 -0.001 0.000 0.251 220 Q C -0.520 175.396 176.000 -0.139 0.000 1.033 220 Q CA -0.287 55.447 55.803 -0.115 0.000 0.746 220 Q CB 1.194 29.864 28.738 -0.113 0.000 1.189 220 Q HN 0.602 nan 8.270 nan 0.000 0.508 221 E N 2.530 122.646 120.200 -0.141 0.000 2.414 221 E HA -0.045 4.305 4.350 -0.001 0.000 0.263 221 E C 0.053 176.540 176.600 -0.189 0.000 1.000 221 E CA 0.166 56.434 56.400 -0.219 0.000 0.914 221 E CB 0.372 29.951 29.700 -0.201 0.000 0.948 221 E HN 0.405 nan 8.360 nan 0.000 0.444 222 N N 1.311 119.875 118.700 -0.228 0.000 2.778 222 N HA -0.181 4.558 4.740 -0.001 0.000 0.249 222 N C -1.042 174.401 175.510 -0.112 0.000 1.069 222 N CA 0.870 53.826 53.050 -0.156 0.000 0.831 222 N CB -1.244 37.170 38.487 -0.122 0.000 1.142 222 N HN 0.169 nan 8.380 nan 0.000 0.573 223 V N 0.792 120.635 119.914 -0.118 0.000 2.406 223 V HA 0.474 4.594 4.120 -0.001 0.000 0.272 223 V C 1.577 177.612 176.094 -0.099 0.000 1.043 223 V CA 0.289 62.533 62.300 -0.093 0.000 0.915 223 V CB 1.453 33.222 31.823 -0.090 0.000 0.988 223 V HN 0.331 nan 8.190 nan 0.000 0.466 224 A N 4.129 126.903 122.820 -0.076 0.000 2.014 224 A HA 0.089 4.408 4.320 -0.001 0.000 0.218 224 A C 0.877 178.398 177.584 -0.105 0.000 1.163 224 A CA 0.861 52.852 52.037 -0.076 0.000 0.652 224 A CB 0.062 19.035 19.000 -0.045 0.000 0.808 224 A HN 0.780 nan 8.150 nan 0.000 0.449 225 E N -0.657 119.483 120.200 -0.099 0.000 2.356 225 E HA 0.439 4.788 4.350 -0.001 0.000 0.275 225 E C -1.588 174.950 176.600 -0.104 0.000 0.904 225 E CA -0.666 55.660 56.400 -0.123 0.000 0.757 225 E CB 1.189 30.876 29.700 -0.020 0.000 1.232 225 E HN 0.261 nan 8.360 nan 0.000 0.442 226 Q N 1.315 121.027 119.800 -0.147 0.000 2.315 226 Q HA 0.399 4.739 4.340 -0.001 0.000 0.273 226 Q C -1.395 174.620 176.000 0.025 0.000 1.053 226 Q CA -0.684 55.080 55.803 -0.066 0.000 0.817 226 Q CB 2.454 31.128 28.738 -0.106 0.000 1.326 226 Q HN 0.474 nan 8.270 nan 0.000 0.423 227 T N 1.512 116.124 114.554 0.096 0.000 2.892 227 T HA 0.623 4.973 4.350 -0.001 0.000 0.311 227 T C -0.467 174.281 174.700 0.079 0.000 1.033 227 T CA -0.334 61.851 62.100 0.140 0.000 0.991 227 T CB 1.324 70.289 68.868 0.161 0.000 0.981 227 T HN 0.579 nan 8.240 nan 0.000 0.457 228 T N 1.011 115.608 114.554 0.072 0.000 2.718 228 T HA 0.268 4.618 4.350 -0.001 0.000 0.306 228 T C 0.423 175.179 174.700 0.094 0.000 1.485 228 T CA -0.403 61.735 62.100 0.065 0.000 0.997 228 T CB 1.753 70.638 68.868 0.029 0.000 1.504 228 T HN 0.477 nan 8.240 nan 0.000 0.497 229 D N 0.167 120.626 120.400 0.098 0.000 2.104 229 D HA -0.098 4.542 4.640 -0.001 0.000 0.194 229 D C 0.702 177.107 176.300 0.174 0.000 0.994 229 D CA 1.643 55.716 54.000 0.122 0.000 0.830 229 D CB 0.003 40.867 40.800 0.108 0.000 0.959 229 D HN 0.564 nan 8.370 nan 0.000 0.452 230 H N -0.745 118.362 119.070 0.062 0.000 2.716 230 H HA 0.579 5.134 4.556 -0.001 0.000 0.260 230 H C -1.184 174.162 175.328 0.029 0.000 1.280 230 H CA -0.878 55.224 56.048 0.090 0.000 1.506 230 H CB 0.552 30.376 29.762 0.102 0.000 1.514 230 H HN 0.169 nan 8.280 nan 0.000 0.502 231 A N 3.041 126.007 122.820 0.244 0.000 2.340 231 A HA 0.690 5.009 4.320 -0.001 0.000 0.268 231 A C 0.387 178.013 177.584 0.070 0.000 1.100 231 A CA 0.298 52.364 52.037 0.048 0.000 0.803 231 A CB 0.813 19.807 19.000 -0.011 0.000 1.043 231 A HN 0.748 nan 8.150 nan 0.000 0.488 232 G N -1.286 107.401 108.800 -0.189 0.000 2.682 232 G HA2 0.791 4.751 3.960 -0.001 0.000 0.290 232 G HA3 0.791 4.751 3.960 -0.001 0.000 0.290 232 G C -1.063 173.745 174.900 -0.153 0.000 1.425 232 G CA 0.067 45.080 45.100 -0.146 0.000 0.807 232 G HN 1.785 nan 8.290 nan 0.000 0.482 233 A N -0.322 122.510 122.820 0.020 0.000 2.486 233 A HA 0.810 5.129 4.320 -0.001 0.000 0.300 233 A C -1.182 176.424 177.584 0.036 0.000 1.048 233 A CA -0.547 51.472 52.037 -0.031 0.000 0.696 233 A CB 1.268 20.254 19.000 -0.023 0.000 1.278 233 A HN 0.757 nan 8.150 nan 0.000 0.405 234 I N 2.981 123.541 120.570 -0.016 0.000 2.447 234 I HA 0.422 4.592 4.170 -0.001 0.000 0.287 234 I C -0.790 175.320 176.117 -0.011 0.000 1.023 234 I CA -0.652 60.654 61.300 0.010 0.000 1.083 234 I CB 1.613 39.625 38.000 0.020 0.000 1.245 234 I HN 0.698 nan 8.210 nan 0.000 0.434 235 I N 3.049 123.503 120.570 -0.192 0.000 2.863 235 I HA 1.071 5.240 4.170 -0.001 0.000 0.311 235 I C 0.170 176.081 176.117 -0.344 0.000 1.026 235 I CA -0.329 60.756 61.300 -0.358 0.000 1.077 235 I CB 1.879 39.203 38.000 -1.127 0.000 1.262 235 I HN 0.576 nan 8.210 nan 0.000 0.461 236 G N 1.763 110.303 108.800 -0.434 0.000 2.606 236 G HA2 0.810 4.770 3.960 -0.001 0.000 0.300 236 G HA3 0.810 4.770 3.960 -0.001 0.000 0.300 236 G C -1.532 172.836 174.900 -0.887 0.000 1.360 236 G CA -0.674 43.793 45.100 -1.055 0.000 0.783 236 G HN 1.026 nan 8.290 nan 0.000 0.484 237 F N -3.350 116.403 119.950 -0.329 0.000 2.900 237 F HA 0.753 5.279 4.527 -0.001 0.000 0.321 237 F C -0.039 175.552 175.800 -0.347 0.000 1.160 237 F CA -1.157 56.697 58.000 -0.243 0.000 0.890 237 F CB 0.638 39.525 39.000 -0.189 0.000 1.334 237 F HN 0.825 nan 8.300 nan 0.000 0.459 238 K N 0.135 120.548 120.400 0.023 0.000 2.174 238 K HA 0.760 5.080 4.320 -0.001 0.000 0.275 238 K C -0.405 176.150 176.600 -0.076 0.000 1.015 238 K CA -0.024 56.211 56.287 -0.088 0.000 0.933 238 K CB 0.643 33.084 32.500 -0.098 0.000 1.025 238 K HN 0.991 nan 8.250 nan 0.000 0.463 239 T N -1.237 113.259 114.554 -0.096 0.000 2.907 239 T HA 0.693 5.043 4.350 -0.001 0.000 0.292 239 T C 0.043 174.726 174.700 -0.027 0.000 1.043 239 T CA -0.967 61.079 62.100 -0.091 0.000 1.003 239 T CB 1.101 69.911 68.868 -0.098 0.000 1.084 239 T HN 0.808 nan 8.240 nan 0.000 0.483 240 R N 0.976 121.471 120.500 -0.008 0.000 2.607 240 R HA 0.522 4.862 4.340 -0.001 0.000 0.261 240 R C -0.124 176.210 176.300 0.058 0.000 1.051 240 R CA -1.159 54.951 56.100 0.017 0.000 1.110 240 R CB 0.920 31.223 30.300 0.005 0.000 1.158 240 R HN 0.722 nan 8.270 nan 0.000 0.543 241 K N 0.318 120.753 120.400 0.058 0.000 2.491 241 K HA -0.012 4.308 4.320 -0.001 0.000 0.279 241 K C 0.506 177.155 176.600 0.083 0.000 1.026 241 K CA 1.467 57.801 56.287 0.079 0.000 1.070 241 K CB -0.078 32.459 32.500 0.060 0.000 0.887 241 K HN 0.889 nan 8.250 nan 0.000 0.481 242 G N 2.849 111.716 108.800 0.112 0.000 2.162 242 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.260 242 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.260 242 G C -0.040 174.925 174.900 0.109 0.000 0.976 242 G CA 0.572 45.734 45.100 0.104 0.000 0.655 242 G HN 0.771 nan 8.290 nan 0.000 0.533 243 E N 0.749 121.025 120.200 0.127 0.000 2.366 243 E HA 0.338 4.687 4.350 -0.001 0.000 0.266 243 E C 0.504 177.216 176.600 0.186 0.000 1.015 243 E CA -0.005 56.463 56.400 0.113 0.000 0.906 243 E CB 0.184 29.922 29.700 0.065 0.000 0.979 243 E HN 0.536 nan 8.360 nan 0.000 0.443 244 Q N 2.668 122.548 119.800 0.133 0.000 2.257 244 Q HA 0.378 4.717 4.340 -0.001 0.000 0.255 244 Q C -1.119 174.984 176.000 0.172 0.000 0.920 244 Q CA -0.736 55.163 55.803 0.161 0.000 0.927 244 Q CB 2.122 30.916 28.738 0.093 0.000 1.229 244 Q HN 0.328 nan 8.270 nan 0.000 0.433 245 V N 3.643 123.737 119.914 0.300 0.000 2.444 245 V HA 0.294 4.414 4.120 -0.001 0.000 0.294 245 V C -0.370 175.910 176.094 0.312 0.000 1.022 245 V CA -0.918 61.576 62.300 0.322 0.000 0.850 245 V CB 1.607 33.736 31.823 0.509 0.000 0.992 245 V HN 0.758 nan 8.190 nan 0.000 0.426 246 N N 3.196 122.015 118.700 0.198 0.000 2.456 246 N HA 0.709 5.448 4.740 -0.001 0.000 0.288 246 N C -0.431 175.142 175.510 0.105 0.000 1.059 246 N CA -0.239 52.862 53.050 0.086 0.000 0.946 246 N CB 2.465 40.970 38.487 0.030 0.000 1.150 246 N HN 0.776 nan 8.380 nan 0.000 0.479 247 A N 2.593 125.400 122.820 -0.021 0.000 2.335 247 A HA 0.460 4.780 4.320 -0.001 0.000 0.304 247 A C -0.247 177.279 177.584 -0.096 0.000 1.118 247 A CA -0.749 51.187 52.037 -0.168 0.000 0.757 247 A CB 0.892 19.712 19.000 -0.299 0.000 1.188 247 A HN 0.593 nan 8.150 nan 0.000 0.460 248 R N 1.951 122.396 120.500 -0.091 0.000 2.254 248 R HA 0.632 4.972 4.340 -0.001 0.000 0.318 248 R C -0.965 175.344 176.300 0.014 0.000 1.031 248 R CA 0.029 56.111 56.100 -0.029 0.000 0.905 248 R CB 1.010 31.307 30.300 -0.005 0.000 1.050 248 R HN 0.665 nan 8.270 nan 0.000 0.456 249 I N 1.716 122.322 120.570 0.059 0.000 2.582 249 I HA 0.620 4.790 4.170 -0.001 0.000 0.292 249 I C -0.494 175.760 176.117 0.229 0.000 1.066 249 I CA -0.878 60.528 61.300 0.177 0.000 1.053 249 I CB 2.201 40.346 38.000 0.243 0.000 1.241 249 I HN 0.649 nan 8.210 nan 0.000 0.421 250 A N 3.834 126.831 122.820 0.295 0.000 2.556 250 A HA 0.922 5.241 4.320 -0.001 0.000 0.294 250 A C -0.765 177.018 177.584 0.332 0.000 1.091 250 A CA -0.489 51.723 52.037 0.291 0.000 0.704 250 A CB 2.146 21.259 19.000 0.188 0.000 1.300 250 A HN 0.747 nan 8.150 nan 0.000 0.406 251 S N -0.276 115.588 115.700 0.272 0.000 2.661 251 S HA 0.899 5.369 4.470 -0.001 0.000 0.285 251 S C -0.540 174.058 174.600 -0.003 0.000 1.138 251 S CA -0.045 58.254 58.200 0.166 0.000 0.855 251 S CB 1.621 64.947 63.200 0.210 0.000 1.136 251 S HN 2.056 nan 8.310 nan 0.000 0.484 252 S N -0.478 115.143 115.700 -0.130 0.000 2.564 252 S HA 0.666 5.136 4.470 -0.001 0.000 0.274 252 S C -1.086 173.307 174.600 -0.345 0.000 1.124 252 S CA -0.744 57.351 58.200 -0.174 0.000 0.869 252 S CB 0.790 63.950 63.200 -0.068 0.000 1.105 252 S HN 0.624 nan 8.310 nan 0.000 0.472 253 F N 2.298 122.183 119.950 -0.108 0.000 2.732 253 F HA 0.437 4.964 4.527 -0.000 0.000 0.303 253 F C 1.243 176.950 175.800 -0.154 0.000 1.110 253 F CA 0.025 57.892 58.000 -0.223 0.000 1.355 253 F CB 0.047 38.857 39.000 -0.318 0.000 1.081 253 F HN 0.431 nan 8.300 nan 0.000 0.565 254 I N -1.550 119.053 120.570 0.055 0.000 2.899 254 I HA 0.078 4.247 4.170 -0.001 0.000 0.257 254 I C 0.686 176.592 176.117 -0.352 0.000 1.115 254 I CA 0.415 61.707 61.300 -0.013 0.000 1.451 254 I CB 0.244 38.252 38.000 0.013 0.000 1.251 254 I HN 0.053 nan 8.210 nan 0.000 0.456 255 S N -1.712 113.591 115.700 -0.662 0.000 2.611 255 S HA 0.285 4.755 4.470 -0.001 0.000 0.270 255 S C 0.009 174.115 174.600 -0.823 0.000 1.131 255 S CA -0.719 56.807 58.200 -1.122 0.000 0.826 255 S CB 0.407 63.313 63.200 -0.490 0.000 1.095 255 S HN 0.028 nan 8.310 nan 0.000 0.461 256 F N 1.515 121.109 119.950 -0.595 0.000 2.095 256 F HA 0.069 4.595 4.527 -0.001 0.000 0.298 256 F C 3.187 178.912 175.800 -0.125 0.000 1.104 256 F CA 2.401 60.280 58.000 -0.202 0.000 1.232 256 F CB -1.071 37.872 39.000 -0.095 0.000 0.987 256 F HN 0.939 nan 8.300 nan 0.000 0.475 257 E N -0.124 120.103 120.200 0.044 0.000 2.118 257 E HA -0.283 4.067 4.350 -0.001 0.000 0.195 257 E C 1.940 178.545 176.600 0.008 0.000 0.992 257 E CA 1.572 57.987 56.400 0.025 0.000 0.804 257 E CB -1.060 28.640 29.700 -0.001 0.000 0.741 257 E HN 0.426 nan 8.360 nan 0.000 0.458 258 Q N -0.201 119.575 119.800 -0.040 0.000 2.119 258 Q HA 0.115 4.455 4.340 -0.001 0.000 0.201 258 Q C 2.287 178.294 176.000 0.013 0.000 0.972 258 Q CA 1.992 57.783 55.803 -0.020 0.000 0.847 258 Q CB -0.539 28.172 28.738 -0.045 0.000 0.903 258 Q HN 0.553 nan 8.270 nan 0.000 0.433 259 A N 0.267 123.095 122.820 0.014 0.000 1.908 259 A HA -0.091 4.229 4.320 -0.001 0.000 0.218 259 A C 2.281 179.926 177.584 0.100 0.000 1.181 259 A CA 1.922 54.004 52.037 0.075 0.000 0.627 259 A CB -1.157 17.917 19.000 0.124 0.000 0.818 259 A HN 0.508 nan 8.150 nan 0.000 0.445 260 A N -0.299 122.579 122.820 0.097 0.000 1.933 260 A HA 0.184 4.504 4.320 -0.001 0.000 0.218 260 A C 2.456 180.081 177.584 0.068 0.000 1.175 260 A CA 1.962 54.050 52.037 0.087 0.000 0.628 260 A CB -0.866 18.180 19.000 0.076 0.000 0.814 260 A HN 1.030 nan 8.150 nan 0.000 0.444 261 A N 0.080 122.934 122.820 0.057 0.000 1.930 261 A HA -0.041 4.279 4.320 -0.001 0.000 0.217 261 A C 1.284 178.905 177.584 0.061 0.000 1.175 261 A CA 0.859 52.927 52.037 0.052 0.000 0.627 261 A CB -0.498 18.529 19.000 0.044 0.000 0.815 261 A HN 0.549 nan 8.150 nan 0.000 0.443 265 E N 1.336 121.570 120.200 0.057 0.000 2.209 265 E HA -0.096 4.254 4.350 -0.001 0.000 0.196 265 E C 1.286 177.912 176.600 0.044 0.000 0.993 265 E CA 0.921 57.355 56.400 0.056 0.000 0.819 265 E CB 0.020 29.761 29.700 0.068 0.000 0.745 265 E HN 0.428 nan 8.360 nan 0.000 0.477 266 L N -0.167 121.079 121.223 0.039 0.000 2.395 266 L HA 0.052 4.392 4.340 -0.001 0.000 0.218 266 L C 1.631 178.512 176.870 0.020 0.000 1.130 266 L CA 0.266 55.120 54.840 0.023 0.000 0.826 266 L CB -0.929 41.139 42.059 0.015 0.000 0.941 266 L HN 0.218 nan 8.230 nan 0.000 0.451 267 G N 0.756 109.571 108.800 0.025 0.000 2.627 267 G HA2 -0.397 3.563 3.960 -0.001 0.000 0.312 267 G HA3 -0.397 3.563 3.960 -0.001 0.000 0.312 267 G C 0.532 175.442 174.900 0.016 0.000 1.299 267 G CA 0.511 45.624 45.100 0.021 0.000 0.989 267 G HN 0.133 nan 8.290 nan 0.000 0.547 268 K N 0.953 121.360 120.400 0.012 0.000 2.514 268 K HA 0.305 4.625 4.320 -0.001 0.000 0.207 268 K C 0.084 176.686 176.600 0.003 0.000 1.035 268 K CA 0.281 56.573 56.287 0.008 0.000 1.113 268 K CB 0.321 32.826 32.500 0.008 0.000 0.846 268 K HN 0.560 nan 8.250 nan 0.000 0.491 269 D N 2.592 122.993 120.400 0.002 0.000 2.399 269 D HA 0.054 4.694 4.640 -0.001 0.000 0.241 269 D C 0.464 176.758 176.300 -0.009 0.000 1.133 269 D CA 0.236 54.234 54.000 -0.004 0.000 0.890 269 D CB 0.551 41.349 40.800 -0.002 0.000 1.201 269 D HN 0.431 nan 8.370 nan 0.000 0.432 270 N N 0.879 119.572 118.700 -0.011 0.000 2.476 270 N HA 0.120 4.859 4.740 -0.001 0.000 0.287 270 N C 1.146 176.646 175.510 -0.016 0.000 1.262 270 N CA -0.553 52.488 53.050 -0.014 0.000 0.980 270 N CB 0.613 39.093 38.487 -0.012 0.000 1.163 270 N HN 0.146 nan 8.380 nan 0.000 0.592 271 I N -0.329 120.232 120.570 -0.015 0.000 2.151 271 I HA -0.228 3.941 4.170 -0.001 0.000 0.243 271 I C 1.683 177.803 176.117 0.004 0.000 1.080 271 I CA 1.723 63.026 61.300 0.005 0.000 1.339 271 I CB -1.074 36.945 38.000 0.031 0.000 1.039 271 I HN 0.585 nan 8.210 nan 0.000 0.409 272 E N 0.582 120.766 120.200 -0.026 0.000 2.077 272 E HA -0.208 4.141 4.350 -0.001 0.000 0.193 272 E C 2.247 178.818 176.600 -0.048 0.000 0.989 272 E CA 1.075 57.440 56.400 -0.059 0.000 0.800 272 E CB -0.221 29.442 29.700 -0.061 0.000 0.746 272 E HN 0.526 nan 8.360 nan 0.000 0.452 273 Q N -0.216 119.565 119.800 -0.031 0.000 2.049 273 Q HA -0.039 4.301 4.340 -0.001 0.000 0.198 273 Q C 2.253 178.243 176.000 -0.017 0.000 0.971 273 Q CA 0.928 56.715 55.803 -0.027 0.000 0.833 273 Q CB -0.090 28.637 28.738 -0.019 0.000 0.896 273 Q HN 0.270 nan 8.270 nan 0.000 0.434 274 L N 0.202 121.424 121.223 -0.002 0.000 2.093 274 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 274 L C 2.494 179.393 176.870 0.050 0.000 1.085 274 L CA 0.805 55.656 54.840 0.018 0.000 0.755 274 L CB -0.553 41.513 42.059 0.013 0.000 0.904 274 L HN 0.221 nan 8.230 nan 0.000 0.435 275 A N -0.257 122.603 122.820 0.066 0.000 1.883 275 A HA -0.306 4.014 4.320 -0.001 0.000 0.217 275 A C 2.217 179.763 177.584 -0.063 0.000 1.186 275 A CA 2.004 54.125 52.037 0.141 0.000 0.624 275 A CB -0.571 18.491 19.000 0.103 0.000 0.822 275 A HN 0.398 nan 8.150 nan 0.000 0.444 276 Q N 0.087 119.824 119.800 -0.105 0.000 2.124 276 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 276 Q C 1.913 177.835 176.000 -0.129 0.000 0.977 276 Q CA 2.202 57.906 55.803 -0.164 0.000 0.850 276 Q CB -0.263 28.406 28.738 -0.115 0.000 0.901 276 Q HN 0.695 nan 8.270 nan 0.000 0.429 277 K N -1.187 119.179 120.400 -0.057 0.000 2.097 277 K HA -0.035 4.284 4.320 -0.001 0.000 0.205 277 K C 2.006 178.605 176.600 -0.003 0.000 1.050 277 K CA 1.060 57.332 56.287 -0.024 0.000 0.938 277 K CB -0.338 32.164 32.500 0.002 0.000 0.718 277 K HN 0.378 nan 8.250 nan 0.000 0.442 278 G N 1.839 110.663 108.800 0.040 0.000 2.402 278 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.216 278 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.216 278 G C 1.447 176.433 174.900 0.143 0.000 1.162 278 G CA 0.618 45.818 45.100 0.166 0.000 0.777 278 G HN 0.213 nan 8.290 nan 0.000 0.539 279 K N 0.305 120.536 120.400 -0.282 0.000 2.063 279 K HA -0.144 4.175 4.320 -0.001 0.000 0.208 279 K C 1.991 178.532 176.600 -0.099 0.000 1.048 279 K CA 1.718 57.697 56.287 -0.514 0.000 0.928 279 K CB -0.126 31.771 32.500 -1.005 0.000 0.713 279 K HN 0.113 nan 8.250 nan 0.000 0.442 280 D N 0.312 120.657 120.400 -0.091 0.000 2.097 280 D HA -0.143 4.497 4.640 -0.001 0.000 0.195 280 D C 1.819 178.136 176.300 0.028 0.000 0.989 280 D CA 1.422 55.412 54.000 -0.017 0.000 0.827 280 D CB -0.336 40.447 40.800 -0.028 0.000 0.966 280 D HN 0.371 nan 8.370 nan 0.000 0.456 281 A N 0.250 123.072 122.820 0.003 0.000 1.883 281 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 281 A C 2.209 179.720 177.584 -0.122 0.000 1.186 281 A CA 1.417 53.411 52.037 -0.071 0.000 0.624 281 A CB -1.284 17.635 19.000 -0.135 0.000 0.822 281 A HN 0.311 nan 8.150 nan 0.000 0.444 282 W N -0.041 121.290 121.300 0.051 0.000 2.358 282 W HA -0.111 4.549 4.660 -0.001 0.000 0.303 282 W C 2.242 178.823 176.519 0.103 0.000 1.208 282 W CA 1.439 58.827 57.345 0.072 0.000 1.274 282 W CB -0.420 29.107 29.460 0.112 0.000 1.138 282 W HN 0.435 nan 8.180 nan 0.000 0.515 283 N N -0.299 118.593 118.700 0.321 0.000 2.244 283 N HA -0.232 4.507 4.740 -0.001 0.000 0.183 283 N C 1.641 177.308 175.510 0.262 0.000 1.016 283 N CA 1.142 54.411 53.050 0.365 0.000 0.866 283 N CB -0.246 38.434 38.487 0.323 0.000 0.980 283 N HN 0.076 nan 8.380 nan 0.000 0.430 284 Q N 1.036 120.932 119.800 0.159 0.000 2.084 284 Q HA -0.124 4.216 4.340 -0.001 0.000 0.202 284 Q C 1.909 177.980 176.000 0.118 0.000 0.978 284 Q CA 1.643 57.513 55.803 0.111 0.000 0.844 284 Q CB -0.067 28.714 28.738 0.070 0.000 0.898 284 Q HN 0.389 nan 8.270 nan 0.000 0.426 285 V N -2.392 117.590 119.914 0.113 0.000 2.599 285 V HA -0.015 4.104 4.120 -0.001 0.000 0.245 285 V C 2.177 178.409 176.094 0.230 0.000 1.046 285 V CA 1.152 63.564 62.300 0.187 0.000 1.065 285 V CB -0.765 31.029 31.823 -0.049 0.000 0.703 285 V HN 0.298 nan 8.190 nan 0.000 0.464 286 L N 1.680 123.020 121.223 0.196 0.000 2.093 286 L HA 0.068 4.408 4.340 -0.001 0.000 0.208 286 L C 2.720 179.450 176.870 -0.232 0.000 1.085 286 L CA 1.669 56.608 54.840 0.164 0.000 0.755 286 L CB -1.132 41.090 42.059 0.272 0.000 0.904 286 L HN 0.501 nan 8.230 nan 0.000 0.435 287 G N -0.506 107.984 108.800 -0.517 0.000 2.625 287 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.214 287 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.214 287 G C 1.509 176.139 174.900 -0.451 0.000 1.132 287 G CA 0.067 44.425 45.100 -1.236 0.000 0.782 287 G HN 0.128 nan 8.290 nan 0.000 0.538 288 K N 0.057 120.371 120.400 -0.143 0.000 2.362 288 K HA 0.077 4.396 4.320 -0.001 0.000 0.200 288 K C 0.628 177.139 176.600 -0.149 0.000 1.046 288 K CA 0.451 56.710 56.287 -0.047 0.000 0.952 288 K CB 0.121 32.593 32.500 -0.047 0.000 0.753 288 K HN 0.378 nan 8.250 nan 0.000 0.466 289 I N 1.485 121.963 120.570 -0.152 0.000 2.468 289 I HA 0.172 4.342 4.170 -0.001 0.000 0.284 289 I C -0.704 175.332 176.117 -0.135 0.000 1.038 289 I CA -0.406 60.809 61.300 -0.141 0.000 1.083 289 I CB 1.871 39.889 38.000 0.030 0.000 1.223 289 I HN -0.161 nan 8.210 nan 0.000 0.443 290 E N 6.177 126.259 120.200 -0.197 0.000 2.129 290 E HA 0.446 4.795 4.350 -0.001 0.000 0.268 290 E C -0.739 175.753 176.600 -0.181 0.000 0.900 290 E CA -0.646 55.711 56.400 -0.073 0.000 0.755 290 E CB 2.609 32.343 29.700 0.057 0.000 1.117 290 E HN 0.462 nan 8.360 nan 0.000 0.410 291 V N 0.709 120.450 119.914 -0.289 0.000 2.732 291 V HA 0.680 4.800 4.120 -0.001 0.000 0.310 291 V C -0.302 175.541 176.094 -0.417 0.000 1.053 291 V CA -0.601 61.301 62.300 -0.664 0.000 0.957 291 V CB 1.574 32.382 31.823 -1.692 0.000 1.018 291 V HN 0.773 nan 8.190 nan 0.000 0.452 292 E N 1.442 121.490 120.200 -0.252 0.000 2.445 292 E HA 0.624 4.974 4.350 -0.001 0.000 0.279 292 E C 0.184 176.911 176.600 0.211 0.000 1.018 292 E CA -0.859 55.554 56.400 0.021 0.000 0.816 292 E CB 1.438 31.140 29.700 0.003 0.000 1.356 292 E HN 1.976 nan 8.360 nan 0.000 0.462 293 G N -0.366 108.606 108.800 0.288 0.000 2.298 293 G HA2 0.041 4.000 3.960 -0.001 0.000 0.287 293 G HA3 0.041 4.000 3.960 -0.001 0.000 0.287 293 G C 0.102 175.164 174.900 0.270 0.000 1.075 293 G CA 0.248 45.485 45.100 0.230 0.000 0.960 293 G HN 0.898 nan 8.290 nan 0.000 0.502 294 G N -0.529 108.430 108.800 0.264 0.000 2.921 294 G HA2 0.807 4.767 3.960 -0.001 0.000 0.291 294 G HA3 0.807 4.767 3.960 -0.001 0.000 0.291 294 G C -0.367 174.306 174.900 -0.377 0.000 1.370 294 G CA -0.004 45.080 45.100 -0.028 0.000 0.847 294 G HN 1.069 nan 8.290 nan 0.000 0.532 295 N N -1.387 117.059 118.700 -0.424 0.000 2.485 295 N HA 0.385 5.125 4.740 -0.001 0.000 0.280 295 N C 0.982 176.200 175.510 -0.487 0.000 1.205 295 N CA -0.842 51.999 53.050 -0.348 0.000 0.959 295 N CB 1.500 39.890 38.487 -0.163 0.000 1.206 295 N HN 0.366 nan 8.380 nan 0.000 0.545 296 L N -0.160 120.956 121.223 -0.178 0.000 2.131 296 L HA -0.068 4.272 4.340 -0.001 0.000 0.210 296 L C 0.926 177.821 176.870 0.041 0.000 1.092 296 L CA 1.861 56.713 54.840 0.020 0.000 0.759 296 L CB -0.884 41.269 42.059 0.157 0.000 0.903 296 L HN 0.590 nan 8.230 nan 0.000 0.435 297 D N -0.751 119.646 120.400 -0.005 0.000 2.117 297 D HA -0.211 4.429 4.640 -0.001 0.000 0.197 297 D C 2.132 178.459 176.300 0.045 0.000 0.987 297 D CA 1.391 55.406 54.000 0.026 0.000 0.829 297 D CB -0.090 40.709 40.800 -0.000 0.000 0.961 297 D HN 0.546 nan 8.370 nan 0.000 0.460 298 Q N -0.503 119.287 119.800 -0.016 0.000 2.079 298 Q HA -0.159 4.181 4.340 -0.001 0.000 0.200 298 Q C 2.166 178.368 176.000 0.336 0.000 0.974 298 Q CA 0.955 56.816 55.803 0.097 0.000 0.840 298 Q CB -0.203 28.471 28.738 -0.107 0.000 0.898 298 Q HN 0.360 nan 8.270 nan 0.000 0.430 299 Y N 0.908 121.341 120.300 0.222 0.000 2.128 299 Y HA -0.210 4.340 4.550 -0.001 0.000 0.284 299 Y C 2.316 178.330 175.900 0.190 0.000 1.154 299 Y CA 1.127 59.257 58.100 0.050 0.000 1.149 299 Y CB -0.573 37.605 38.460 -0.471 0.000 0.976 299 Y HN 0.043 nan 8.280 nan 0.000 0.505 300 R N -0.718 119.994 120.500 0.353 0.000 2.073 300 R HA -0.130 4.209 4.340 -0.001 0.000 0.234 300 R C 2.201 178.637 176.300 0.226 0.000 1.134 300 R CA 1.989 58.290 56.100 0.335 0.000 0.952 300 R CB -0.816 29.632 30.300 0.247 0.000 0.850 300 R HN 0.280 nan 8.270 nan 0.000 0.433 301 T N 0.945 115.584 114.554 0.141 0.000 2.708 301 T HA -0.180 4.170 4.350 -0.001 0.000 0.266 301 T C 1.417 176.108 174.700 -0.015 0.000 1.037 301 T CA 1.420 63.490 62.100 -0.051 0.000 1.146 301 T CB -0.350 68.383 68.868 -0.224 0.000 0.865 301 T HN 0.171 nan 8.240 nan 0.000 0.435 302 F N 0.816 120.834 119.950 0.113 0.000 2.075 302 F HA -0.108 4.419 4.527 -0.001 0.000 0.297 302 F C 2.026 177.804 175.800 -0.036 0.000 1.113 302 F CA 1.180 59.264 58.000 0.140 0.000 1.218 302 F CB -0.413 38.641 39.000 0.091 0.000 0.984 302 F HN 0.110 nan 8.300 nan 0.000 0.472 303 Y N 0.021 120.526 120.300 0.341 0.000 2.314 303 Y HA -0.123 4.427 4.550 -0.001 0.000 0.293 303 Y C 2.749 178.735 175.900 0.143 0.000 1.129 303 Y CA 1.309 59.547 58.100 0.230 0.000 1.201 303 Y CB -1.107 37.587 38.460 0.391 0.000 0.999 303 Y HN 0.011 nan 8.280 nan 0.000 0.541 304 S N -1.060 114.789 115.700 0.248 0.000 2.368 304 S HA -0.209 4.261 4.470 -0.001 0.000 0.225 304 S C 2.226 176.955 174.600 0.214 0.000 1.030 304 S CA 1.423 59.742 58.200 0.198 0.000 0.999 304 S CB -0.809 62.461 63.200 0.117 0.000 0.844 304 S HN 0.527 nan 8.310 nan 0.000 0.459 305 C N 0.998 120.351 119.300 0.089 0.000 2.446 305 C HA 0.043 4.502 4.460 -0.001 0.000 0.277 305 C C 2.505 177.521 174.990 0.042 0.000 1.275 305 C CA 0.323 59.405 59.018 0.106 0.000 1.727 305 C CB -1.318 26.458 27.740 0.059 0.000 2.010 305 C HN 0.503 nan 8.230 nan 0.000 0.486 306 L N 0.618 121.788 121.223 -0.088 0.000 2.017 306 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 306 L C 2.375 179.312 176.870 0.112 0.000 1.073 306 L CA 2.099 56.906 54.840 -0.056 0.000 0.745 306 L CB -1.414 40.574 42.059 -0.118 0.000 0.894 306 L HN 0.548 nan 8.230 nan 0.000 0.432 307 Y N 0.401 120.725 120.300 0.039 0.000 2.114 307 Y HA -0.272 4.277 4.550 -0.000 0.000 0.282 307 Y C 2.442 178.329 175.900 -0.022 0.000 1.165 307 Y CA 1.924 60.002 58.100 -0.038 0.000 1.148 307 Y CB -0.370 37.939 38.460 -0.252 0.000 0.972 307 Y HN 0.113 nan 8.280 nan 0.000 0.504 308 R N 0.167 120.532 120.500 -0.225 0.000 2.237 308 R HA -0.041 4.299 4.340 -0.001 0.000 0.219 308 R C 2.001 178.261 176.300 -0.067 0.000 1.080 308 R CA 1.075 57.010 56.100 -0.276 0.000 0.995 308 R CB -0.649 29.650 30.300 -0.003 0.000 0.875 308 R HN 0.357 nan 8.270 nan 0.000 0.462 309 S N 0.564 116.262 115.700 -0.004 0.000 2.603 309 S HA 0.164 4.634 4.470 -0.001 0.000 0.220 309 S C 1.172 175.777 174.600 0.007 0.000 0.967 309 S CA 0.291 58.525 58.200 0.056 0.000 0.920 309 S CB 0.212 63.460 63.200 0.079 0.000 0.773 309 S HN 0.202 nan 8.310 nan 0.000 0.529 310 L N 0.894 122.018 121.223 -0.165 0.000 3.209 310 L HA 0.418 4.757 4.340 -0.001 0.000 0.279 310 L C 0.499 176.848 176.870 -0.868 0.000 1.301 310 L CA 0.128 54.618 54.840 -0.583 0.000 1.004 310 L CB 0.167 41.784 42.059 -0.737 0.000 1.402 310 L HN 0.221 nan 8.230 nan 0.000 0.577 311 L N -1.315 119.691 121.223 -0.362 0.000 2.600 311 L HA 0.343 4.682 4.340 -0.001 0.000 0.213 311 L C -0.118 176.687 176.870 -0.109 0.000 1.045 311 L CA 0.384 55.037 54.840 -0.312 0.000 0.863 311 L CB 0.559 42.344 42.059 -0.457 0.000 1.189 311 L HN 0.060 nan 8.230 nan 0.000 0.484 312 F N 0.796 120.922 119.950 0.292 0.000 2.532 312 F HA 0.482 5.008 4.527 -0.001 0.000 0.321 312 F C -2.194 173.794 175.800 0.314 0.000 1.089 312 F CA -2.525 55.686 58.000 0.351 0.000 0.926 312 F CB 1.115 40.270 39.000 0.259 0.000 1.168 312 F HN -0.259 nan 8.300 nan 0.000 0.459 313 P HA 0.198 nan 4.420 nan 0.000 0.274 313 P C -1.043 176.646 177.300 0.647 0.000 1.231 313 P CA -0.578 62.876 63.100 0.590 0.000 0.790 313 P CB 0.976 32.997 31.700 0.536 0.000 0.951 314 R N 1.195 122.005 120.500 0.516 0.000 2.528 314 R HA 0.377 4.716 4.340 -0.001 0.000 0.271 314 R C -0.094 176.429 176.300 0.373 0.000 1.056 314 R CA -0.846 55.490 56.100 0.392 0.000 1.117 314 R CB 0.584 30.950 30.300 0.110 0.000 1.085 314 R HN 0.285 nan 8.270 nan 0.000 0.530 315 K N 1.284 121.769 120.400 0.141 0.000 2.489 315 K HA -0.058 4.262 4.320 -0.001 0.000 0.278 315 K C -0.515 176.047 176.600 -0.064 0.000 1.000 315 K CA 0.461 56.517 56.287 -0.387 0.000 1.012 315 K CB 0.288 32.522 32.500 -0.443 0.000 0.903 315 K HN 0.525 nan 8.250 nan 0.000 0.485 316 F N 3.654 123.462 119.950 -0.238 0.000 2.791 316 F HA 0.157 4.684 4.527 -0.001 0.000 0.316 316 F C -0.877 174.997 175.800 0.124 0.000 1.134 316 F CA -0.707 57.283 58.000 -0.017 0.000 1.222 316 F CB 0.448 39.444 39.000 -0.007 0.000 1.034 316 F HN 0.482 nan 8.300 nan 0.000 0.516 317 Y N -0.969 119.366 120.300 0.059 0.000 2.587 317 Y HA 0.841 5.391 4.550 -0.001 0.000 0.337 317 Y C -0.599 175.364 175.900 0.105 0.000 1.065 317 Y CA -1.344 56.836 58.100 0.134 0.000 1.126 317 Y CB 0.841 39.412 38.460 0.184 0.000 1.279 317 Y HN 0.045 nan 8.280 nan 0.000 0.489 318 E N 1.010 121.385 120.200 0.290 0.000 2.423 318 E HA 0.524 4.874 4.350 -0.001 0.000 0.269 318 E C -1.893 174.853 176.600 0.243 0.000 0.948 318 E CA -1.246 55.256 56.400 0.170 0.000 0.802 318 E CB 2.289 32.055 29.700 0.109 0.000 1.339 318 E HN 0.369 nan 8.360 nan 0.000 0.445 319 L N 2.396 123.720 121.223 0.168 0.000 2.313 319 L HA 0.261 4.600 4.340 -0.001 0.000 0.283 319 L C -0.271 176.658 176.870 0.097 0.000 1.013 319 L CA -0.481 54.453 54.840 0.156 0.000 0.816 319 L CB 0.882 43.032 42.059 0.152 0.000 1.236 319 L HN 0.576 nan 8.230 nan 0.000 0.419 320 D N 2.085 122.531 120.400 0.076 0.000 2.447 320 D HA 0.253 4.892 4.640 -0.001 0.000 0.265 320 D C 1.094 177.420 176.300 0.044 0.000 1.250 320 D CA 0.041 54.070 54.000 0.048 0.000 1.046 320 D CB 0.559 41.377 40.800 0.030 0.000 1.095 320 D HN 0.475 nan 8.370 nan 0.000 0.555 321 A N -0.228 122.611 122.820 0.032 0.000 2.024 321 A HA -0.200 4.120 4.320 -0.001 0.000 0.220 321 A C 1.454 179.057 177.584 0.031 0.000 1.164 321 A CA 1.174 53.228 52.037 0.030 0.000 0.643 321 A CB -0.719 18.294 19.000 0.022 0.000 0.806 321 A HN 0.552 nan 8.150 nan 0.000 0.451 322 N N -0.846 117.872 118.700 0.029 0.000 2.268 322 N HA 0.194 4.934 4.740 -0.001 0.000 0.204 322 N C 1.061 176.593 175.510 0.037 0.000 1.124 322 N CA 0.885 53.952 53.050 0.028 0.000 0.838 322 N CB 0.417 38.915 38.487 0.019 0.000 0.994 322 N HN 0.600 nan 8.380 nan 0.000 0.489 323 G N 0.590 109.419 108.800 0.049 0.000 2.155 323 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.257 323 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.257 323 G C -0.052 174.888 174.900 0.068 0.000 0.983 323 G CA 0.044 45.184 45.100 0.067 0.000 0.676 323 G HN 0.243 nan 8.290 nan 0.000 0.528 324 Q N 0.504 120.329 119.800 0.042 0.000 2.230 324 Q HA 0.460 4.800 4.340 -0.001 0.000 0.248 324 Q C -2.317 173.686 176.000 0.004 0.000 0.915 324 Q CA -2.128 53.678 55.803 0.004 0.000 0.900 324 Q CB 1.659 30.385 28.738 -0.020 0.000 1.229 324 Q HN 0.326 nan 8.270 nan 0.000 0.439 325 P HA 0.242 nan 4.420 nan 0.000 0.276 325 P C -0.479 176.818 177.300 -0.005 0.000 1.230 325 P CA -0.026 63.041 63.100 -0.057 0.000 0.776 325 P CB 0.548 31.918 31.700 -0.550 0.000 0.888 326 I N 0.401 121.050 120.570 0.132 0.000 3.042 326 I HA 0.762 4.932 4.170 -0.001 0.000 0.310 326 I C -0.929 175.332 176.117 0.241 0.000 1.117 326 I CA -1.359 59.998 61.300 0.096 0.000 1.003 326 I CB 2.524 40.544 38.000 0.034 0.000 1.228 326 I HN 0.447 nan 8.210 nan 0.000 0.443 327 H N 0.681 119.846 119.070 0.159 0.000 2.996 327 H HA 0.446 5.002 4.556 -0.001 0.000 0.368 327 H C -1.696 173.769 175.328 0.229 0.000 1.185 327 H CA -0.916 55.263 56.048 0.219 0.000 1.160 327 H CB 0.919 30.856 29.762 0.292 0.000 1.820 327 H HN 0.732 nan 8.280 nan 0.000 0.547 328 Y N 2.156 122.594 120.300 0.230 0.000 2.511 328 Y HA 0.241 4.791 4.550 -0.000 0.000 0.332 328 Y C 0.303 176.458 175.900 0.424 0.000 1.177 328 Y CA 0.069 58.313 58.100 0.240 0.000 1.422 328 Y CB 0.989 39.600 38.460 0.252 0.000 1.271 328 Y HN 0.772 nan 8.280 nan 0.000 0.550 329 S N 8.416 123.931 115.700 -0.308 0.000 2.416 329 S HA 0.290 4.759 4.470 -0.001 0.000 0.287 329 S C -1.675 172.597 174.600 -0.546 0.000 1.139 329 S CA -1.558 56.547 58.200 -0.158 0.000 1.058 329 S CB 0.608 63.793 63.200 -0.025 0.000 0.967 329 S HN 0.679 nan 8.310 nan 0.000 0.495 330 P HA 0.006 nan 4.420 nan 0.000 0.237 330 P C 0.215 177.125 177.300 -0.651 0.000 1.178 330 P CA 0.646 63.425 63.100 -0.534 0.000 0.766 330 P CB -0.048 31.133 31.700 -0.864 0.000 0.876 331 Y N 1.447 121.626 120.300 -0.202 0.000 2.389 331 Y HA 0.028 4.578 4.550 -0.000 0.000 0.292 331 Y C 1.930 177.786 175.900 -0.073 0.000 1.117 331 Y CA 1.257 59.271 58.100 -0.143 0.000 1.195 331 Y CB -0.591 37.793 38.460 -0.127 0.000 1.076 331 Y HN 0.141 nan 8.280 nan 0.000 0.548 332 N N -2.245 116.467 118.700 0.019 0.000 2.082 332 N HA 0.200 4.940 4.740 -0.001 0.000 0.228 332 N C 1.238 176.726 175.510 -0.037 0.000 1.341 332 N CA 0.600 53.657 53.050 0.010 0.000 0.873 332 N CB 0.666 39.171 38.487 0.031 0.000 1.137 332 N HN 0.191 nan 8.380 nan 0.000 0.505 333 G N -0.058 108.646 108.800 -0.160 0.000 2.179 333 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.260 333 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.260 333 G C -0.206 174.649 174.900 -0.076 0.000 0.977 333 G CA 0.519 45.535 45.100 -0.140 0.000 0.641 333 G HN 0.520 nan 8.290 nan 0.000 0.533 334 Q N -0.500 119.244 119.800 -0.092 0.000 2.382 334 Q HA 0.561 4.901 4.340 -0.001 0.000 0.229 334 Q C 0.088 176.062 176.000 -0.043 0.000 1.006 334 Q CA -0.336 55.446 55.803 -0.034 0.000 0.916 334 Q CB 1.790 30.508 28.738 -0.034 0.000 1.235 334 Q HN 0.187 nan 8.270 nan 0.000 0.512 335 V N 2.904 122.817 119.914 -0.001 0.000 2.370 335 V HA 0.432 4.551 4.120 -0.001 0.000 0.283 335 V C -0.302 175.720 176.094 -0.120 0.000 1.023 335 V CA -0.372 61.915 62.300 -0.021 0.000 0.857 335 V CB 0.693 32.539 31.823 0.039 0.000 0.985 335 V HN 0.519 nan 8.190 nan 0.000 0.443 336 L N 6.577 127.621 121.223 -0.298 0.000 2.393 336 L HA 0.612 4.952 4.340 -0.001 0.000 0.260 336 L C -2.534 174.115 176.870 -0.367 0.000 1.002 336 L CA -2.026 52.619 54.840 -0.325 0.000 0.818 336 L CB 3.286 45.148 42.059 -0.329 0.000 1.369 336 L HN 0.383 nan 8.230 nan 0.000 0.412 337 P HA 0.350 nan 4.420 nan 0.000 0.272 337 P C -0.081 177.230 177.300 0.019 0.000 1.223 337 P CA 0.325 63.378 63.100 -0.077 0.000 0.784 337 P CB 1.156 32.827 31.700 -0.048 0.000 0.923 338 G N 0.488 109.297 108.800 0.014 0.000 2.462 338 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.685 338 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.685 338 G C -1.331 173.567 174.900 -0.004 0.000 1.295 338 G CA -0.935 44.139 45.100 -0.044 0.000 0.941 338 G HN 0.273 nan 8.290 nan 0.000 0.554 342 T N -0.929 113.835 114.554 0.351 0.000 2.648 342 T HA 0.470 4.819 4.350 -0.001 0.000 0.304 342 T C -2.016 172.860 174.700 0.294 0.000 1.312 342 T CA -0.296 61.907 62.100 0.172 0.000 1.023 342 T CB 1.138 69.876 68.868 -0.217 0.000 1.612 342 T HN 0.677 nan 8.240 nan 0.000 0.487 343 D N 0.881 121.435 120.400 0.256 0.000 2.718 343 D HA -0.098 4.541 4.640 -0.001 0.000 0.242 343 D C -0.494 176.021 176.300 0.359 0.000 1.123 343 D CA 1.355 55.608 54.000 0.422 0.000 0.690 343 D CB -1.407 39.742 40.800 0.581 0.000 1.059 343 D HN 0.577 nan 8.370 nan 0.000 0.429 344 T N -1.218 113.370 114.554 0.057 0.000 2.900 344 T HA 0.624 4.974 4.350 -0.001 0.000 0.303 344 T C -0.328 173.704 174.700 -1.114 0.000 1.142 344 T CA -0.027 61.899 62.100 -0.291 0.000 1.007 344 T CB 1.809 70.745 68.868 0.113 0.000 1.156 344 T HN 0.164 nan 8.240 nan 0.000 0.490 345 G N 2.633 110.466 108.800 -1.612 0.000 2.522 345 G HA2 0.520 4.480 3.960 -0.001 0.000 0.318 345 G HA3 0.520 4.480 3.960 -0.001 0.000 0.318 345 G C 0.514 175.165 174.900 -0.415 0.000 1.192 345 G CA -0.538 43.495 45.100 -1.778 0.000 0.988 345 G HN 0.621 nan 8.290 nan 0.000 0.480 346 F N 1.042 120.897 119.950 -0.158 0.000 2.250 346 F HA 0.002 4.528 4.527 -0.001 0.000 0.301 346 F C 2.027 177.993 175.800 0.276 0.000 1.077 346 F CA 0.016 58.059 58.000 0.072 0.000 1.348 346 F CB -0.425 38.592 39.000 0.029 0.000 1.040 346 F HN 0.755 nan 8.300 nan 0.000 0.509 347 W N 1.628 123.092 121.300 0.273 0.000 2.350 347 W HA -0.214 4.446 4.660 -0.001 0.000 0.289 347 W C 1.940 178.617 176.519 0.264 0.000 1.215 347 W CA 1.966 59.522 57.345 0.351 0.000 1.236 347 W CB -0.232 29.404 29.460 0.294 0.000 1.130 347 W HN -0.094 nan 8.180 nan 0.000 0.541 348 D N -1.060 119.508 120.400 0.280 0.000 2.110 348 D HA -0.131 4.508 4.640 -0.001 0.000 0.202 348 D C 2.179 178.450 176.300 -0.048 0.000 0.975 348 D CA 2.597 56.618 54.000 0.035 0.000 0.839 348 D CB -0.740 40.170 40.800 0.184 0.000 0.996 348 D HN 0.255 nan 8.370 nan 0.000 0.464 349 T N -0.895 113.752 114.554 0.155 0.000 3.100 349 T HA -0.013 4.337 4.350 -0.001 0.000 0.253 349 T C 1.949 176.830 174.700 0.302 0.000 1.118 349 T CA -0.179 62.078 62.100 0.262 0.000 1.058 349 T CB -0.699 68.439 68.868 0.451 0.000 0.953 349 T HN 0.217 nan 8.240 nan 0.000 0.515 350 F N 2.300 122.329 119.950 0.132 0.000 2.216 350 F HA 0.134 4.661 4.527 -0.000 0.000 0.300 350 F C 2.261 178.037 175.800 -0.040 0.000 1.085 350 F CA 0.235 58.232 58.000 -0.006 0.000 1.326 350 F CB -0.420 38.527 39.000 -0.089 0.000 1.027 350 F HN -0.042 nan 8.300 nan 0.000 0.497 351 R N 0.371 120.328 120.500 -0.905 0.000 2.070 351 R HA -0.136 4.203 4.340 -0.001 0.000 0.233 351 R C 2.069 178.177 176.300 -0.319 0.000 1.137 351 R CA 2.213 57.830 56.100 -0.805 0.000 0.945 351 R CB -0.839 29.047 30.300 -0.689 0.000 0.845 351 R HN 0.674 nan 8.270 nan 0.000 0.430 352 C N -2.896 116.336 119.300 -0.114 0.000 4.259 352 C HA 0.350 4.810 4.460 -0.001 0.000 0.404 352 C C 1.950 177.084 174.990 0.240 0.000 1.673 352 C CA -0.854 58.137 59.018 -0.046 0.000 2.002 352 C CB -0.575 27.018 27.740 -0.244 0.000 3.094 352 C HN 0.350 nan 8.230 nan 0.000 0.681 353 L N 0.983 122.334 121.223 0.213 0.000 1.994 353 L HA 0.086 4.426 4.340 -0.001 0.000 0.208 353 L C 2.272 179.244 176.870 0.169 0.000 1.071 353 L CA 2.285 57.248 54.840 0.205 0.000 0.745 353 L CB -1.032 41.126 42.059 0.166 0.000 0.892 353 L HN 0.371 nan 8.230 nan 0.000 0.431 354 F N 0.481 120.524 119.950 0.155 0.000 2.171 354 F HA -0.093 4.434 4.527 -0.000 0.000 0.300 354 F C -0.267 175.624 175.800 0.152 0.000 1.090 354 F CA 1.371 59.445 58.000 0.123 0.000 1.293 354 F CB -1.713 37.309 39.000 0.036 0.000 1.013 354 F HN 0.202 nan 8.300 nan 0.000 0.486 355 P HA -0.182 nan 4.420 nan 0.000 0.217 355 P C 1.860 179.459 177.300 0.499 0.000 1.150 355 P CA 1.064 64.355 63.100 0.318 0.000 0.832 355 P CB -0.020 31.784 31.700 0.172 0.000 0.787 356 L N -0.802 120.736 121.223 0.526 0.000 2.042 356 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 356 L C 2.090 179.136 176.870 0.293 0.000 1.076 356 L CA 1.836 56.859 54.840 0.304 0.000 0.749 356 L CB -1.284 40.840 42.059 0.109 0.000 0.893 356 L HN -0.112 nan 8.230 nan 0.000 0.432 357 L N -0.722 120.682 121.223 0.301 0.000 2.046 357 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 357 L C 2.143 179.180 176.870 0.278 0.000 1.077 357 L CA 1.875 56.905 54.840 0.317 0.000 0.747 357 L CB -0.851 41.296 42.059 0.146 0.000 0.896 357 L HN 0.408 nan 8.230 nan 0.000 0.432 358 N N -0.361 118.502 118.700 0.271 0.000 2.289 358 N HA -0.107 4.632 4.740 -0.001 0.000 0.184 358 N C 0.656 176.414 175.510 0.414 0.000 1.016 358 N CA 0.148 53.358 53.050 0.266 0.000 0.872 358 N CB 0.092 38.680 38.487 0.168 0.000 0.973 358 N HN 0.091 nan 8.380 nan 0.000 0.433 362 P HA -0.187 nan 4.420 nan 0.000 0.218 362 P C 1.689 179.021 177.300 0.053 0.000 1.149 362 P CA 2.174 65.356 63.100 0.137 0.000 0.817 362 P CB 0.204 32.019 31.700 0.192 0.000 0.785 363 S N -0.584 115.144 115.700 0.045 0.000 2.400 363 S HA -0.118 4.352 4.470 -0.001 0.000 0.232 363 S C 2.030 176.580 174.600 -0.083 0.000 1.025 363 S CA 1.476 59.674 58.200 -0.003 0.000 0.993 363 S CB -1.769 61.442 63.200 0.019 0.000 0.808 363 S HN -0.001 nan 8.310 nan 0.000 0.478 364 V N 2.657 122.495 119.914 -0.126 0.000 2.379 364 V HA -0.073 4.047 4.120 -0.001 0.000 0.245 364 V C 2.743 178.617 176.094 -0.366 0.000 1.044 364 V CA 1.888 63.983 62.300 -0.342 0.000 1.036 364 V CB -1.171 30.247 31.823 -0.676 0.000 0.664 364 V HN 0.511 nan 8.190 nan 0.000 0.453 365 N N 0.619 119.189 118.700 -0.218 0.000 2.309 365 N HA -0.184 4.556 4.740 -0.001 0.000 0.182 365 N C 1.696 177.124 175.510 -0.136 0.000 1.018 365 N CA 1.216 54.172 53.050 -0.156 0.000 0.876 365 N CB -0.229 38.264 38.487 0.010 0.000 0.972 365 N HN 0.382 nan 8.380 nan 0.000 0.434 366 K N 1.184 121.517 120.400 -0.111 0.000 2.044 366 K HA -0.088 4.231 4.320 -0.001 0.000 0.210 366 K C 0.350 176.869 176.600 -0.136 0.000 1.049 366 K CA 1.155 57.391 56.287 -0.085 0.000 0.927 366 K CB -0.350 32.117 32.500 -0.055 0.000 0.713 366 K HN 0.350 nan 8.250 nan 0.000 0.443 370 E N 1.175 121.451 120.200 0.127 0.000 2.110 370 E HA -0.051 4.299 4.350 -0.001 0.000 0.193 370 E C 1.809 178.558 176.600 0.249 0.000 0.988 370 E CA 1.427 57.951 56.400 0.208 0.000 0.804 370 E CB -0.096 29.783 29.700 0.298 0.000 0.745 370 E HN 0.456 nan 8.360 nan 0.000 0.458 371 G N 1.533 110.510 108.800 0.294 0.000 2.440 371 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.218 371 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.218 371 G C 1.749 176.811 174.900 0.269 0.000 1.154 371 G CA 0.569 45.860 45.100 0.318 0.000 0.767 371 G HN 0.167 nan 8.290 nan 0.000 0.552 372 L N 0.415 121.801 121.223 0.271 0.000 2.046 372 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 372 L C 2.805 179.945 176.870 0.451 0.000 1.077 372 L CA 0.392 55.441 54.840 0.348 0.000 0.747 372 L CB -0.430 41.775 42.059 0.245 0.000 0.896 372 L HN 0.113 nan 8.230 nan 0.000 0.432 373 I N 0.362 121.149 120.570 0.362 0.000 2.208 373 I HA -0.291 3.878 4.170 -0.001 0.000 0.245 373 I C 2.067 178.306 176.117 0.203 0.000 1.097 373 I CA 1.770 63.258 61.300 0.314 0.000 1.363 373 I CB -1.375 36.761 38.000 0.226 0.000 1.051 373 I HN 0.390 nan 8.210 nan 0.000 0.413 374 N N 0.021 118.829 118.700 0.179 0.000 2.166 374 N HA -0.152 4.587 4.740 -0.001 0.000 0.186 374 N C 1.678 177.225 175.510 0.063 0.000 1.019 374 N CA 1.738 54.869 53.050 0.134 0.000 0.856 374 N CB -0.073 38.510 38.487 0.160 0.000 0.993 374 N HN 0.336 nan 8.380 nan 0.000 0.426 375 T N -0.065 114.515 114.554 0.043 0.000 2.746 375 T HA -0.197 4.153 4.350 -0.001 0.000 0.267 375 T C 1.596 176.158 174.700 -0.229 0.000 1.039 375 T CA 1.043 63.016 62.100 -0.213 0.000 1.142 375 T CB -0.444 68.326 68.868 -0.164 0.000 0.866 375 T HN 0.342 nan 8.240 nan 0.000 0.444 376 Y N 1.635 121.770 120.300 -0.274 0.000 2.224 376 Y HA -0.001 4.549 4.550 -0.001 0.000 0.289 376 Y C 1.932 177.646 175.900 -0.309 0.000 1.146 376 Y CA 0.933 58.759 58.100 -0.456 0.000 1.182 376 Y CB -0.527 37.355 38.460 -0.963 0.000 0.983 376 Y HN 0.135 nan 8.280 nan 0.000 0.524 377 L N -0.166 120.875 121.223 -0.303 0.000 2.093 377 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 377 L C 2.165 178.882 176.870 -0.255 0.000 1.085 377 L CA 1.701 56.348 54.840 -0.322 0.000 0.755 377 L CB -0.410 41.589 42.059 -0.101 0.000 0.904 377 L HN 0.239 nan 8.230 nan 0.000 0.435 378 E N -0.752 119.357 120.200 -0.152 0.000 2.230 378 E HA -0.103 4.247 4.350 -0.001 0.000 0.192 378 E C 1.911 178.477 176.600 -0.057 0.000 0.987 378 E CA 1.223 57.587 56.400 -0.060 0.000 0.841 378 E CB 0.206 29.945 29.700 0.064 0.000 0.783 378 E HN 0.450 nan 8.360 nan 0.000 0.481 379 S N -2.094 113.534 115.700 -0.120 0.000 2.649 379 S HA 0.313 4.782 4.470 -0.001 0.000 0.246 379 S C 1.545 176.180 174.600 0.059 0.000 1.057 379 S CA 0.308 58.538 58.200 0.050 0.000 1.051 379 S CB 1.108 64.374 63.200 0.110 0.000 1.018 379 S HN 0.294 nan 8.310 nan 0.000 0.569 380 G N 0.547 109.187 108.800 -0.267 0.000 2.225 380 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.254 380 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.254 380 G C -0.142 174.422 174.900 -0.559 0.000 0.988 380 G CA 0.379 45.163 45.100 -0.528 0.000 0.625 380 G HN 0.532 nan 8.290 nan 0.000 0.527 381 F N -0.473 119.442 119.950 -0.059 0.000 2.588 381 F HA 0.765 5.292 4.527 -0.001 0.000 0.314 381 F C 0.175 176.050 175.800 0.125 0.000 1.069 381 F CA -1.514 56.559 58.000 0.122 0.000 0.931 381 F CB 1.143 40.180 39.000 0.062 0.000 1.260 381 F HN -0.062 nan 8.300 nan 0.000 0.465 382 F N 3.602 123.793 119.950 0.402 0.000 2.459 382 F HA 0.294 4.821 4.527 -0.001 0.000 0.346 382 F C -1.756 174.244 175.800 0.333 0.000 1.128 382 F CA -1.981 56.188 58.000 0.282 0.000 1.268 382 F CB -0.080 39.007 39.000 0.145 0.000 1.161 382 F HN 0.128 nan 8.300 nan 0.000 0.583 383 P HA 0.136 nan 4.420 nan 0.000 0.276 383 P C -0.373 177.082 177.300 0.260 0.000 1.252 383 P CA -0.103 63.252 63.100 0.425 0.000 0.802 383 P CB 1.584 33.444 31.700 0.266 0.000 1.035 384 E N 0.155 120.439 120.200 0.141 0.000 2.476 384 E HA 0.091 4.441 4.350 -0.001 0.000 0.193 384 E C -0.191 176.313 176.600 -0.159 0.000 0.966 384 E CA 0.733 57.183 56.400 0.083 0.000 1.114 384 E CB -0.170 29.657 29.700 0.212 0.000 1.151 384 E HN 0.486 nan 8.360 nan 0.000 0.487 385 W N 0.949 122.235 121.300 -0.024 0.000 2.376 385 W HA 0.569 5.228 4.660 -0.001 0.000 0.312 385 W C -0.728 175.777 176.519 -0.023 0.000 1.060 385 W CA -0.342 56.980 57.345 -0.038 0.000 1.221 385 W CB 1.500 30.968 29.460 0.013 0.000 1.281 385 W HN 0.016 nan 8.180 nan 0.000 0.456 386 A N 3.146 126.166 122.820 0.334 0.000 2.359 386 A HA 0.698 5.018 4.320 -0.001 0.000 0.303 386 A C -0.809 176.904 177.584 0.215 0.000 1.066 386 A CA -0.545 51.605 52.037 0.189 0.000 0.730 386 A CB 1.842 20.892 19.000 0.082 0.000 1.211 386 A HN 0.333 nan 8.150 nan 0.000 0.439 387 S N 3.770 119.475 115.700 0.009 0.000 2.441 387 S HA 0.445 4.915 4.470 -0.001 0.000 0.187 387 S C -2.514 171.836 174.600 -0.417 0.000 0.917 387 S CA -0.443 57.719 58.200 -0.064 0.000 1.078 387 S CB 1.082 64.370 63.200 0.148 0.000 1.379 387 S HN 0.470 nan 8.310 nan 0.000 0.399 388 P HA 0.234 nan 4.420 nan 0.000 0.226 388 P C 1.036 177.858 177.300 -0.796 0.000 1.161 388 P CA 0.531 63.096 63.100 -0.892 0.000 0.804 388 P CB -0.039 30.818 31.700 -1.404 0.000 0.829 389 G N -0.341 108.008 108.800 -0.752 0.000 2.525 389 G HA2 0.161 4.120 3.960 -0.001 0.000 0.287 389 G HA3 0.161 4.120 3.960 -0.001 0.000 0.287 389 G C -0.498 174.220 174.900 -0.302 0.000 1.350 389 G CA -0.386 44.249 45.100 -0.774 0.000 1.039 389 G HN 0.116 nan 8.290 nan 0.000 0.513 390 H N 0.766 119.837 119.070 0.001 0.000 2.964 390 H HA 0.186 4.741 4.556 -0.000 0.000 0.328 390 H C 0.355 175.624 175.328 -0.099 0.000 1.030 390 H CA 0.538 56.578 56.048 -0.014 0.000 1.445 390 H CB 0.469 30.135 29.762 -0.160 0.000 1.449 390 H HN 0.150 nan 8.280 nan 0.000 0.581 391 R N 1.508 122.059 120.500 0.085 0.000 2.686 391 R HA 0.315 4.655 4.340 -0.001 0.000 0.286 391 R C 0.281 176.583 176.300 0.004 0.000 0.969 391 R CA -0.972 55.126 56.100 -0.004 0.000 0.898 391 R CB 2.106 32.371 30.300 -0.057 0.000 1.183 391 R HN 0.764 nan 8.270 nan 0.000 0.456 392 G N 0.802 109.575 108.800 -0.046 0.000 2.448 392 G HA2 0.399 4.358 3.960 -0.001 0.000 0.309 392 G HA3 0.399 4.358 3.960 -0.001 0.000 0.309 392 G C -0.236 174.629 174.900 -0.059 0.000 1.027 392 G CA -0.073 45.008 45.100 -0.032 0.000 1.104 392 G HN 0.550 nan 8.290 nan 0.000 0.428 396 G N 0.719 109.707 108.800 0.313 0.000 2.756 396 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.678 396 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.678 396 G C -0.277 174.881 174.900 0.430 0.000 1.349 396 G CA 0.234 45.576 45.100 0.403 0.000 0.847 396 G HN 2.126 nan 8.290 nan 0.000 0.548 397 N N -0.179 118.742 118.700 0.368 0.000 2.535 397 N HA 0.138 4.878 4.740 -0.001 0.000 0.294 397 N C 1.094 176.635 175.510 0.052 0.000 1.408 397 N CA 0.128 53.287 53.050 0.181 0.000 0.927 397 N CB -0.151 38.359 38.487 0.038 0.000 1.276 397 N HN 0.504 nan 8.380 nan 0.000 0.505 398 N N -0.506 118.240 118.700 0.076 0.000 2.550 398 N HA -0.121 4.619 4.740 -0.001 0.000 0.186 398 N C 1.839 177.223 175.510 -0.210 0.000 1.110 398 N CA 0.596 53.555 53.050 -0.151 0.000 0.912 398 N CB 0.251 38.643 38.487 -0.159 0.000 0.968 398 N HN 0.312 nan 8.380 nan 0.000 0.448 399 S N 0.468 116.141 115.700 -0.044 0.000 2.420 399 S HA -0.204 4.266 4.470 -0.001 0.000 0.237 399 S C 2.090 176.413 174.600 -0.462 0.000 1.023 399 S CA 0.961 58.989 58.200 -0.287 0.000 0.991 399 S CB -0.423 62.809 63.200 0.054 0.000 0.792 399 S HN 0.378 nan 8.310 nan 0.000 0.488 400 A N 1.522 124.129 122.820 -0.354 0.000 1.902 400 A HA -0.014 4.305 4.320 -0.001 0.000 0.217 400 A C 2.457 179.769 177.584 -0.454 0.000 1.181 400 A CA 1.819 53.609 52.037 -0.412 0.000 0.623 400 A CB -1.365 17.418 19.000 -0.362 0.000 0.818 400 A HN 0.594 nan 8.150 nan 0.000 0.443 401 S N -0.412 115.010 115.700 -0.463 0.000 2.356 401 S HA -0.132 4.338 4.470 -0.001 0.000 0.223 401 S C 1.945 176.342 174.600 -0.339 0.000 1.032 401 S CA 1.448 59.413 58.200 -0.392 0.000 1.005 401 S CB -0.451 62.539 63.200 -0.351 0.000 0.867 401 S HN 0.379 nan 8.310 nan 0.000 0.449 402 I N 1.741 122.015 120.570 -0.494 0.000 2.127 402 I HA -0.167 4.002 4.170 -0.001 0.000 0.241 402 I C 2.393 178.216 176.117 -0.490 0.000 1.075 402 I CA 1.375 62.296 61.300 -0.631 0.000 1.334 402 I CB -1.622 35.627 38.000 -1.251 0.000 1.040 402 I HN 0.354 nan 8.210 nan 0.000 0.405 403 L N -0.096 120.808 121.223 -0.531 0.000 2.017 403 L HA -0.185 4.155 4.340 -0.001 0.000 0.208 403 L C 2.639 179.339 176.870 -0.285 0.000 1.073 403 L CA 0.943 55.523 54.840 -0.432 0.000 0.745 403 L CB -0.677 41.041 42.059 -0.569 0.000 0.894 403 L HN 0.026 nan 8.230 nan 0.000 0.432 404 V N -0.391 119.338 119.914 -0.308 0.000 2.379 404 V HA -0.268 3.851 4.120 -0.001 0.000 0.245 404 V C 2.136 178.130 176.094 -0.167 0.000 1.044 404 V CA 1.942 64.092 62.300 -0.250 0.000 1.036 404 V CB -0.440 31.179 31.823 -0.340 0.000 0.664 404 V HN 0.450 nan 8.190 nan 0.000 0.453 405 D N 0.397 120.694 120.400 -0.172 0.000 2.123 405 D HA -0.165 4.474 4.640 -0.001 0.000 0.196 405 D C 2.118 178.351 176.300 -0.111 0.000 0.992 405 D CA 1.589 55.515 54.000 -0.124 0.000 0.833 405 D CB -0.119 40.632 40.800 -0.082 0.000 0.954 405 D HN 0.365 nan 8.370 nan 0.000 0.455 406 A N -0.634 122.127 122.820 -0.097 0.000 1.865 406 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 406 A C 1.321 178.869 177.584 -0.060 0.000 1.191 406 A CA 1.043 53.042 52.037 -0.064 0.000 0.623 406 A CB -1.189 17.776 19.000 -0.058 0.000 0.826 406 A HN 0.459 nan 8.150 nan 0.000 0.444 410 G N 0.816 109.496 108.800 -0.201 0.000 2.157 410 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.248 410 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.248 410 G C -0.062 174.761 174.900 -0.128 0.000 0.979 410 G CA 0.229 45.228 45.100 -0.168 0.000 0.650 410 G HN 0.092 nan 8.290 nan 0.000 0.529 411 V N 1.447 121.290 119.914 -0.118 0.000 2.284 411 V HA 0.399 4.519 4.120 -0.001 0.000 0.260 411 V C 0.445 176.483 176.094 -0.093 0.000 1.084 411 V CA -0.080 62.180 62.300 -0.066 0.000 0.894 411 V CB 0.836 32.649 31.823 -0.016 0.000 1.119 411 V HN 0.307 nan 8.190 nan 0.000 0.484 412 K N 3.649 123.985 120.400 -0.107 0.000 2.339 412 K HA 0.553 4.873 4.320 -0.001 0.000 0.264 412 K C -0.177 176.442 176.600 0.031 0.000 0.986 412 K CA -0.664 55.569 56.287 -0.090 0.000 0.866 412 K CB 2.367 34.710 32.500 -0.262 0.000 1.103 412 K HN 0.552 nan 8.250 nan 0.000 0.441 413 V N -0.245 119.730 119.914 0.101 0.000 3.096 413 V HA 0.011 4.131 4.120 -0.001 0.000 0.306 413 V C 0.744 176.897 176.094 0.097 0.000 1.088 413 V CA -0.046 62.311 62.300 0.096 0.000 1.129 413 V CB 0.744 32.629 31.823 0.103 0.000 1.014 413 V HN 0.674 nan 8.190 nan 0.000 0.486 414 D N 0.788 121.240 120.400 0.086 0.000 2.144 414 D HA -0.076 4.563 4.640 -0.001 0.000 0.199 414 D C 0.728 177.070 176.300 0.071 0.000 0.984 414 D CA 1.987 56.031 54.000 0.073 0.000 0.834 414 D CB -0.049 40.791 40.800 0.068 0.000 0.955 414 D HN 0.877 nan 8.370 nan 0.000 0.465 415 D N -0.092 120.355 120.400 0.077 0.000 2.485 415 D HA 0.162 4.802 4.640 -0.001 0.000 0.256 415 D C 1.280 177.616 176.300 0.060 0.000 1.141 415 D CA -0.303 53.735 54.000 0.065 0.000 0.942 415 D CB 0.028 40.869 40.800 0.068 0.000 1.003 415 D HN 0.009 nan 8.370 nan 0.000 0.507 416 I N 1.603 122.202 120.570 0.048 0.000 2.286 416 I HA -0.206 3.964 4.170 -0.001 0.000 0.248 416 I C 2.429 178.543 176.117 -0.005 0.000 1.115 416 I CA 0.681 61.987 61.300 0.010 0.000 1.392 416 I CB -0.018 37.979 38.000 -0.006 0.000 1.065 416 I HN 0.274 nan 8.210 nan 0.000 0.418 417 K N 0.997 121.402 120.400 0.008 0.000 2.026 417 K HA -0.174 4.146 4.320 -0.001 0.000 0.208 417 K C 2.079 178.704 176.600 0.041 0.000 1.048 417 K CA 1.981 58.279 56.287 0.019 0.000 0.929 417 K CB -0.105 32.404 32.500 0.014 0.000 0.713 417 K HN 0.216 nan 8.250 nan 0.000 0.439 418 T N 2.789 117.369 114.554 0.042 0.000 2.746 418 T HA -0.138 4.212 4.350 -0.001 0.000 0.267 418 T C 1.624 176.307 174.700 -0.028 0.000 1.039 418 T CA 0.997 63.124 62.100 0.046 0.000 1.142 418 T CB -0.187 68.740 68.868 0.098 0.000 0.866 418 T HN 0.153 nan 8.240 nan 0.000 0.444 419 L N 0.437 121.677 121.223 0.027 0.000 2.012 419 L HA -0.105 4.235 4.340 -0.001 0.000 0.210 419 L C 2.117 178.968 176.870 -0.032 0.000 1.073 419 L CA 2.030 56.896 54.840 0.044 0.000 0.748 419 L CB -1.349 40.712 42.059 0.003 0.000 0.891 419 L HN 0.296 nan 8.230 nan 0.000 0.431 420 Y N 1.099 121.301 120.300 -0.164 0.000 2.200 420 Y HA -0.213 4.337 4.550 -0.001 0.000 0.290 420 Y C 2.615 178.410 175.900 -0.175 0.000 1.137 420 Y CA 2.080 60.062 58.100 -0.197 0.000 1.163 420 Y CB -0.063 38.279 38.460 -0.197 0.000 0.988 420 Y HN 0.365 nan 8.280 nan 0.000 0.518 421 E N -0.756 119.382 120.200 -0.103 0.000 2.085 421 E HA -0.201 4.149 4.350 -0.001 0.000 0.194 421 E C 2.405 178.808 176.600 -0.328 0.000 0.994 421 E CA 0.999 57.303 56.400 -0.160 0.000 0.801 421 E CB -0.559 29.119 29.700 -0.037 0.000 0.743 421 E HN 0.634 nan 8.360 nan 0.000 0.453 422 G N 1.252 109.671 108.800 -0.635 0.000 2.440 422 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.218 422 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.218 422 G C 1.574 176.270 174.900 -0.340 0.000 1.154 422 G CA 0.560 44.968 45.100 -1.154 0.000 0.767 422 G HN 0.088 nan 8.290 nan 0.000 0.552 423 L N 0.276 121.368 121.223 -0.218 0.000 2.017 423 L HA -0.079 4.261 4.340 -0.001 0.000 0.208 423 L C 2.839 179.511 176.870 -0.330 0.000 1.073 423 L CA 0.568 55.247 54.840 -0.270 0.000 0.745 423 L CB -0.349 41.435 42.059 -0.458 0.000 0.894 423 L HN 0.120 nan 8.230 nan 0.000 0.432 424 I N -0.711 119.598 120.570 -0.436 0.000 2.226 424 I HA -0.329 3.840 4.170 -0.001 0.000 0.245 424 I C 2.561 178.565 176.117 -0.188 0.000 1.100 424 I CA 1.566 62.682 61.300 -0.305 0.000 1.374 424 I CB -1.635 36.183 38.000 -0.304 0.000 1.057 424 I HN 0.440 nan 8.210 nan 0.000 0.413 425 H N 1.388 120.303 119.070 -0.257 0.000 2.390 425 H HA -0.172 4.384 4.556 -0.001 0.000 0.298 425 H C 2.070 177.250 175.328 -0.246 0.000 1.106 425 H CA 1.984 57.885 56.048 -0.245 0.000 1.297 425 H CB -0.052 29.570 29.762 -0.234 0.000 1.375 425 H HN 0.336 nan 8.280 nan 0.000 0.509 426 G N -0.538 108.162 108.800 -0.168 0.000 2.534 426 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.217 426 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.217 426 G C 1.795 176.571 174.900 -0.206 0.000 1.128 426 G CA 1.014 46.050 45.100 -0.106 0.000 0.784 426 G HN 0.608 nan 8.290 nan 0.000 0.542 427 T N -1.065 113.351 114.554 -0.231 0.000 3.088 427 T HA 0.072 4.421 4.350 -0.001 0.000 0.259 427 T C 1.329 175.828 174.700 -0.335 0.000 1.122 427 T CA 1.151 63.128 62.100 -0.204 0.000 1.095 427 T CB -0.020 68.845 68.868 -0.006 0.000 0.930 427 T HN 0.560 nan 8.240 nan 0.000 0.508 428 E N 0.329 120.193 120.200 -0.559 0.000 3.191 428 E HA 0.304 4.653 4.350 -0.001 0.000 0.192 428 E C -0.708 175.080 176.600 -1.352 0.000 0.972 428 E CA -0.815 54.988 56.400 -0.995 0.000 1.266 428 E CB 0.259 29.678 29.700 -0.470 0.000 1.076 428 E HN 0.247 nan 8.360 nan 0.000 0.462 429 N N 0.637 118.727 118.700 -1.017 0.000 2.331 429 N HA 0.313 5.052 4.740 -0.001 0.000 0.280 429 N C -1.938 173.588 175.510 0.026 0.000 1.155 429 N CA -0.531 52.229 53.050 -0.483 0.000 0.822 429 N CB 2.853 40.998 38.487 -0.571 0.000 1.619 429 N HN 0.029 nan 8.380 nan 0.000 0.476 430 V N 1.046 121.113 119.914 0.254 0.000 2.680 430 V HA 0.287 4.407 4.120 -0.001 0.000 0.309 430 V C -0.539 175.577 176.094 0.037 0.000 1.052 430 V CA -0.556 61.856 62.300 0.187 0.000 0.908 430 V CB 1.571 33.517 31.823 0.204 0.000 1.001 430 V HN 0.815 nan 8.190 nan 0.000 0.431 431 H N 8.407 127.162 119.070 -0.525 0.000 2.964 431 H HA 0.248 4.804 4.556 -0.001 0.000 0.328 431 H C -1.642 173.563 175.328 -0.205 0.000 1.030 431 H CA -0.543 55.085 56.048 -0.699 0.000 1.445 431 H CB 1.616 30.796 29.762 -0.969 0.000 1.449 431 H HN 0.482 nan 8.280 nan 0.000 0.581 432 P HA -0.114 nan 4.420 nan 0.000 0.222 432 P C 0.155 177.498 177.300 0.070 0.000 1.147 432 P CA 1.225 64.297 63.100 -0.046 0.000 0.790 432 P CB 0.433 32.082 31.700 -0.085 0.000 0.780 433 E N -1.720 118.637 120.200 0.262 0.000 2.539 433 E HA 0.140 4.489 4.350 -0.001 0.000 0.215 433 E C -0.283 176.390 176.600 0.122 0.000 0.965 433 E CA 0.091 56.609 56.400 0.196 0.000 1.019 433 E CB 0.820 30.631 29.700 0.186 0.000 1.059 433 E HN -0.065 nan 8.360 nan 0.000 0.496 434 V N 2.064 122.041 119.914 0.104 0.000 2.398 434 V HA 0.090 4.210 4.120 -0.001 0.000 0.282 434 V C 0.865 176.919 176.094 -0.067 0.000 1.014 434 V CA -0.168 62.074 62.300 -0.096 0.000 0.838 434 V CB 1.449 33.070 31.823 -0.336 0.000 1.018 434 V HN 0.240 nan 8.190 nan 0.000 0.432 435 S N 2.168 117.861 115.700 -0.011 0.000 2.481 435 S HA -0.100 4.370 4.470 -0.001 0.000 0.231 435 S C 1.664 176.281 174.600 0.028 0.000 0.996 435 S CA 1.017 59.228 58.200 0.017 0.000 0.942 435 S CB -0.125 63.094 63.200 0.033 0.000 0.768 435 S HN 0.894 nan 8.310 nan 0.000 0.520 436 S N 0.136 115.847 115.700 0.017 0.000 2.593 436 S HA 0.179 4.648 4.470 -0.001 0.000 0.217 436 S C 0.384 175.016 174.600 0.053 0.000 0.966 436 S CA -0.381 57.859 58.200 0.067 0.000 0.914 436 S CB -0.381 62.876 63.200 0.095 0.000 0.776 436 S HN 0.382 nan 8.310 nan 0.000 0.523 437 T N 2.517 117.030 114.554 -0.069 0.000 2.795 437 T HA 0.657 5.007 4.350 -0.001 0.000 0.282 437 T C 0.702 175.298 174.700 -0.172 0.000 0.980 437 T CA 0.268 62.262 62.100 -0.176 0.000 1.012 437 T CB 0.945 69.492 68.868 -0.536 0.000 0.936 437 T HN 0.760 nan 8.240 nan 0.000 0.457 438 G N 3.103 111.942 108.800 0.065 0.000 2.642 438 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.231 438 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.231 438 G C -0.716 174.251 174.900 0.112 0.000 1.338 438 G CA -0.749 44.477 45.100 0.209 0.000 0.883 438 G HN 0.781 nan 8.290 nan 0.000 0.570 439 R N -0.323 120.222 120.500 0.075 0.000 2.312 439 R HA 0.409 4.748 4.340 -0.001 0.000 0.310 439 R C -0.014 176.426 176.300 0.234 0.000 1.064 439 R CA -0.804 55.314 56.100 0.031 0.000 0.983 439 R CB 1.147 31.236 30.300 -0.351 0.000 1.139 439 R HN 0.555 nan 8.270 nan 0.000 0.536 440 L N 1.970 123.354 121.223 0.269 0.000 2.499 440 L HA 0.185 4.525 4.340 -0.001 0.000 0.273 440 L C 1.142 178.180 176.870 0.281 0.000 1.195 440 L CA 1.636 56.617 54.840 0.234 0.000 0.882 440 L CB 0.687 42.846 42.059 0.166 0.000 1.133 440 L HN 0.912 nan 8.230 nan 0.000 0.483 441 G N 3.316 112.229 108.800 0.189 0.000 2.157 441 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.248 441 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.248 441 G C 0.569 175.585 174.900 0.192 0.000 0.979 441 G CA 0.724 45.955 45.100 0.218 0.000 0.650 441 G HN 1.132 nan 8.290 nan 0.000 0.529 442 Y N 0.245 120.625 120.300 0.133 0.000 2.315 442 Y HA 0.132 4.682 4.550 -0.001 0.000 0.288 442 Y C 2.144 178.101 175.900 0.096 0.000 1.154 442 Y CA 1.783 59.927 58.100 0.074 0.000 1.229 442 Y CB -0.386 38.042 38.460 -0.053 0.000 0.980 442 Y HN 0.355 nan 8.280 nan 0.000 0.540 443 E N 0.373 120.155 120.200 -0.695 0.000 2.051 443 E HA -0.172 4.178 4.350 -0.001 0.000 0.192 443 E C 1.786 178.231 176.600 -0.258 0.000 0.991 443 E CA 2.012 58.102 56.400 -0.516 0.000 0.799 443 E CB -0.612 28.663 29.700 -0.709 0.000 0.748 443 E HN 0.637 nan 8.360 nan 0.000 0.449 444 Y N -0.990 119.233 120.300 -0.129 0.000 2.200 444 Y HA -0.202 4.347 4.550 -0.001 0.000 0.290 444 Y C 2.236 178.093 175.900 -0.071 0.000 1.137 444 Y CA 1.407 59.436 58.100 -0.119 0.000 1.163 444 Y CB -0.588 37.795 38.460 -0.129 0.000 0.988 444 Y HN 0.150 nan 8.280 nan 0.000 0.518 445 Y N 0.913 121.278 120.300 0.107 0.000 2.181 445 Y HA -0.237 4.312 4.550 -0.000 0.000 0.288 445 Y C 1.931 177.876 175.900 0.075 0.000 1.146 445 Y CA 1.897 60.070 58.100 0.122 0.000 1.164 445 Y CB -0.700 37.913 38.460 0.255 0.000 0.982 445 Y HN 0.150 nan 8.280 nan 0.000 0.515 446 N N -0.290 118.511 118.700 0.170 0.000 2.244 446 N HA -0.168 4.572 4.740 -0.001 0.000 0.183 446 N C 1.778 177.256 175.510 -0.054 0.000 1.016 446 N CA 1.058 54.140 53.050 0.052 0.000 0.866 446 N CB -0.107 38.460 38.487 0.134 0.000 0.980 446 N HN 0.323 nan 8.380 nan 0.000 0.430 447 K N 0.912 121.277 120.400 -0.058 0.000 2.128 447 K HA 0.084 4.403 4.320 -0.001 0.000 0.202 447 K C 1.568 178.107 176.600 -0.101 0.000 1.050 447 K CA 0.562 56.800 56.287 -0.081 0.000 0.966 447 K CB 0.302 32.746 32.500 -0.093 0.000 0.759 447 K HN 0.070 nan 8.250 nan 0.000 0.454 448 L N -1.128 120.009 121.223 -0.144 0.000 2.556 448 L HA 0.286 4.626 4.340 -0.001 0.000 0.226 448 L C 1.012 177.821 176.870 -0.101 0.000 1.089 448 L CA 0.449 55.179 54.840 -0.183 0.000 0.864 448 L CB 0.745 42.528 42.059 -0.460 0.000 1.067 448 L HN 0.566 nan 8.230 nan 0.000 0.477 449 G N 0.378 109.073 108.800 -0.174 0.000 2.157 449 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.248 449 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.248 449 G C -0.055 174.851 174.900 0.010 0.000 0.979 449 G CA 0.303 45.298 45.100 -0.176 0.000 0.650 449 G HN 0.444 nan 8.290 nan 0.000 0.529 450 Y N -3.018 117.255 120.300 -0.046 0.000 2.662 450 Y HA 0.618 5.167 4.550 -0.001 0.000 0.334 450 Y C -0.542 175.498 175.900 0.233 0.000 1.185 450 Y CA -1.724 56.473 58.100 0.162 0.000 1.074 450 Y CB 0.745 39.246 38.460 0.069 0.000 1.330 450 Y HN 0.422 nan 8.280 nan 0.000 0.458 451 V N 3.668 123.781 119.914 0.332 0.000 2.408 451 V HA 0.379 4.498 4.120 -0.001 0.000 0.267 451 V C -2.168 173.980 176.094 0.091 0.000 1.047 451 V CA -1.643 60.732 62.300 0.125 0.000 0.937 451 V CB 0.690 32.587 31.823 0.124 0.000 0.999 451 V HN 0.607 nan 8.190 nan 0.000 0.472 452 P HA 0.079 nan 4.420 nan 0.000 0.272 452 P C 0.111 177.406 177.300 -0.009 0.000 1.240 452 P CA -0.080 63.027 63.100 0.012 0.000 0.791 452 P CB 0.554 32.112 31.700 -0.236 0.000 0.978 453 Y N 1.475 121.740 120.300 -0.058 0.000 2.519 453 Y HA -0.041 4.508 4.550 -0.001 0.000 0.287 453 Y C 0.726 176.572 175.900 -0.089 0.000 1.128 453 Y CA 1.045 59.093 58.100 -0.088 0.000 1.282 453 Y CB 0.170 38.589 38.460 -0.068 0.000 1.027 453 Y HN 0.260 nan 8.280 nan 0.000 0.551 454 D N -0.152 120.225 120.400 -0.037 0.000 2.788 454 D HA 0.066 4.705 4.640 -0.001 0.000 0.289 454 D C 0.098 176.325 176.300 -0.121 0.000 1.340 454 D CA 0.276 54.235 54.000 -0.068 0.000 0.831 454 D CB -0.375 40.455 40.800 0.050 0.000 1.103 454 D HN 0.191 nan 8.370 nan 0.000 0.476 455 V N -2.844 116.951 119.914 -0.198 0.000 2.991 455 V HA 0.433 4.553 4.120 -0.001 0.000 0.355 455 V C 0.230 176.244 176.094 -0.133 0.000 1.384 455 V CA -0.883 61.297 62.300 -0.201 0.000 1.171 455 V CB -0.452 31.079 31.823 -0.487 0.000 1.190 455 V HN 0.047 nan 8.190 nan 0.000 0.540 456 K N 0.423 120.746 120.400 -0.128 0.000 3.129 456 K HA -0.153 4.167 4.320 -0.001 0.000 0.273 456 K C -0.267 176.286 176.600 -0.078 0.000 1.123 456 K CA 1.365 57.598 56.287 -0.090 0.000 0.800 456 K CB -1.872 30.601 32.500 -0.045 0.000 1.238 456 K HN 0.775 nan 8.250 nan 0.000 0.492 457 I N 1.427 121.928 120.570 -0.114 0.000 2.405 457 I HA 0.176 4.346 4.170 -0.001 0.000 0.280 457 I C 0.267 176.311 176.117 -0.122 0.000 1.027 457 I CA -0.941 60.310 61.300 -0.082 0.000 1.161 457 I CB 1.040 39.007 38.000 -0.055 0.000 1.300 457 I HN 0.087 nan 8.210 nan 0.000 0.463 458 N N 4.428 123.069 118.700 -0.098 0.000 2.354 458 N HA 0.087 4.826 4.740 -0.001 0.000 0.246 458 N C 0.453 175.878 175.510 -0.142 0.000 1.285 458 N CA -0.004 52.968 53.050 -0.130 0.000 0.925 458 N CB 0.427 38.886 38.487 -0.047 0.000 1.174 458 N HN 0.438 nan 8.380 nan 0.000 0.478 459 E N -1.021 119.057 120.200 -0.202 0.000 2.722 459 E HA -0.237 4.113 4.350 -0.001 0.000 0.265 459 E C 0.712 177.174 176.600 -0.229 0.000 1.081 459 E CA 0.743 57.016 56.400 -0.212 0.000 0.781 459 E CB -1.842 27.778 29.700 -0.134 0.000 1.372 459 E HN 0.667 nan 8.360 nan 0.000 0.423 460 N N -0.193 118.374 118.700 -0.221 0.000 2.149 460 N HA -0.215 4.525 4.740 -0.001 0.000 0.188 460 N C 1.778 177.187 175.510 -0.168 0.000 1.019 460 N CA 1.579 54.534 53.050 -0.158 0.000 0.857 460 N CB -0.235 38.187 38.487 -0.109 0.000 0.997 460 N HN 0.324 nan 8.380 nan 0.000 0.426 461 A N 1.473 124.114 122.820 -0.298 0.000 1.897 461 A HA 0.246 4.566 4.320 -0.001 0.000 0.215 461 A C 2.584 180.037 177.584 -0.218 0.000 1.181 461 A CA 1.585 53.456 52.037 -0.277 0.000 0.620 461 A CB -0.878 17.748 19.000 -0.624 0.000 0.821 461 A HN 0.437 nan 8.150 nan 0.000 0.443 462 A N 0.090 122.673 122.820 -0.393 0.000 1.908 462 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 462 A C 2.241 179.725 177.584 -0.165 0.000 1.181 462 A CA 1.715 53.462 52.037 -0.483 0.000 0.627 462 A CB -0.498 18.112 19.000 -0.650 0.000 0.818 462 A HN 0.555 nan 8.150 nan 0.000 0.445 463 R N -1.061 119.283 120.500 -0.260 0.000 2.081 463 R HA -0.091 4.248 4.340 -0.001 0.000 0.235 463 R C 2.320 178.207 176.300 -0.689 0.000 1.131 463 R CA 1.864 57.625 56.100 -0.566 0.000 0.960 463 R CB -0.823 29.106 30.300 -0.618 0.000 0.856 463 R HN 0.531 nan 8.270 nan 0.000 0.436 464 T N 1.555 115.968 114.554 -0.235 0.000 2.746 464 T HA -0.104 4.246 4.350 -0.001 0.000 0.267 464 T C 1.873 176.722 174.700 0.249 0.000 1.039 464 T CA 1.131 63.300 62.100 0.115 0.000 1.142 464 T CB -0.149 68.890 68.868 0.286 0.000 0.866 464 T HN 0.115 nan 8.240 nan 0.000 0.444 465 L N 0.594 121.951 121.223 0.223 0.000 2.027 465 L HA -0.077 4.262 4.340 -0.001 0.000 0.206 465 L C 2.775 179.888 176.870 0.404 0.000 1.074 465 L CA 1.409 56.462 54.840 0.356 0.000 0.745 465 L CB -0.539 41.742 42.059 0.370 0.000 0.898 465 L HN 0.314 nan 8.230 nan 0.000 0.433 466 E N -0.727 119.680 120.200 0.345 0.000 2.110 466 E HA -0.217 4.133 4.350 -0.001 0.000 0.193 466 E C 2.199 179.020 176.600 0.369 0.000 0.988 466 E CA 1.097 57.731 56.400 0.391 0.000 0.804 466 E CB -0.132 29.797 29.700 0.383 0.000 0.745 466 E HN 0.420 nan 8.360 nan 0.000 0.458 467 Y N 0.807 121.194 120.300 0.145 0.000 2.165 467 Y HA -0.173 4.376 4.550 -0.001 0.000 0.286 467 Y C 2.465 178.470 175.900 0.174 0.000 1.155 467 Y CA 0.641 58.735 58.100 -0.009 0.000 1.164 467 Y CB -1.178 36.994 38.460 -0.480 0.000 0.978 467 Y HN 0.035 nan 8.280 nan 0.000 0.513 468 A N -0.478 122.656 122.820 0.524 0.000 1.877 468 A HA -0.265 4.055 4.320 -0.001 0.000 0.216 468 A C 2.183 179.940 177.584 0.288 0.000 1.186 468 A CA 1.705 54.068 52.037 0.542 0.000 0.620 468 A CB -1.491 17.904 19.000 0.659 0.000 0.822 468 A HN 0.501 nan 8.150 nan 0.000 0.443 469 Y N 1.560 121.915 120.300 0.091 0.000 2.128 469 Y HA -0.247 4.303 4.550 -0.001 0.000 0.284 469 Y C 1.833 177.706 175.900 -0.044 0.000 1.154 469 Y CA 2.036 60.012 58.100 -0.207 0.000 1.149 469 Y CB -0.398 38.131 38.460 0.116 0.000 0.976 469 Y HN 0.380 nan 8.280 nan 0.000 0.505 470 D N 0.173 120.456 120.400 -0.196 0.000 2.149 470 D HA -0.191 4.449 4.640 -0.001 0.000 0.198 470 D C 1.694 177.859 176.300 -0.226 0.000 0.990 470 D CA 1.698 55.505 54.000 -0.321 0.000 0.839 470 D CB -0.362 40.369 40.800 -0.114 0.000 0.948 470 D HN 0.483 nan 8.370 nan 0.000 0.460 471 D N -0.500 119.900 120.400 -0.000 0.000 2.183 471 D HA -0.112 4.528 4.640 -0.001 0.000 0.203 471 D C 1.851 178.197 176.300 0.077 0.000 0.969 471 D CA 0.298 54.382 54.000 0.140 0.000 0.842 471 D CB -0.378 40.663 40.800 0.402 0.000 0.957 471 D HN 0.338 nan 8.370 nan 0.000 0.484 472 W N 1.380 122.568 121.300 -0.187 0.000 2.338 472 W HA -0.271 4.389 4.660 -0.001 0.000 0.304 472 W C 2.221 178.594 176.519 -0.243 0.000 1.212 472 W CA 1.177 58.367 57.345 -0.258 0.000 1.264 472 W CB -0.401 28.799 29.460 -0.432 0.000 1.142 472 W HN -0.042 nan 8.180 nan 0.000 0.512 473 C N 0.256 119.316 119.300 -0.399 0.000 2.432 473 C HA -0.193 4.267 4.460 -0.001 0.000 0.277 473 C C 2.693 177.329 174.990 -0.590 0.000 1.249 473 C CA 1.269 59.920 59.018 -0.611 0.000 1.725 473 C CB -1.489 25.925 27.740 -0.543 0.000 2.028 473 C HN 0.362 nan 8.230 nan 0.000 0.477 474 I N -0.040 120.226 120.570 -0.507 0.000 2.226 474 I HA -0.257 3.913 4.170 -0.001 0.000 0.245 474 I C 2.494 178.326 176.117 -0.474 0.000 1.100 474 I CA 1.952 62.901 61.300 -0.585 0.000 1.374 474 I CB -0.677 36.769 38.000 -0.924 0.000 1.057 474 I HN 0.424 nan 8.210 nan 0.000 0.413 475 Y N 2.019 122.051 120.300 -0.446 0.000 2.151 475 Y HA -0.279 4.271 4.550 -0.001 0.000 0.284 475 Y C 2.717 178.377 175.900 -0.399 0.000 1.166 475 Y CA 1.515 59.447 58.100 -0.281 0.000 1.163 475 Y CB -0.183 38.140 38.460 -0.229 0.000 0.974 475 Y HN -0.041 nan 8.280 nan 0.000 0.511 476 R N 0.097 120.090 120.500 -0.845 0.000 2.073 476 R HA -0.167 4.173 4.340 -0.001 0.000 0.234 476 R C 2.237 178.169 176.300 -0.612 0.000 1.134 476 R CA 1.586 57.155 56.100 -0.885 0.000 0.952 476 R CB -1.135 28.577 30.300 -0.980 0.000 0.850 476 R HN 0.448 nan 8.270 nan 0.000 0.433 477 L N 0.688 121.605 121.223 -0.510 0.000 2.072 477 L HA 0.022 4.362 4.340 -0.001 0.000 0.205 477 L C 2.243 178.887 176.870 -0.378 0.000 1.079 477 L CA 1.808 56.402 54.840 -0.411 0.000 0.752 477 L CB -0.700 41.138 42.059 -0.368 0.000 0.906 477 L HN 0.118 nan 8.230 nan 0.000 0.436 478 A N -0.659 121.975 122.820 -0.310 0.000 1.902 478 A HA -0.261 4.059 4.320 -0.001 0.000 0.217 478 A C 2.456 179.856 177.584 -0.306 0.000 1.181 478 A CA 1.993 53.864 52.037 -0.277 0.000 0.623 478 A CB -0.581 18.386 19.000 -0.055 0.000 0.818 478 A HN 0.471 nan 8.150 nan 0.000 0.443 479 K N -0.577 119.596 120.400 -0.380 0.000 2.026 479 K HA -0.212 4.108 4.320 -0.001 0.000 0.208 479 K C 2.103 178.548 176.600 -0.259 0.000 1.048 479 K CA 1.702 57.790 56.287 -0.332 0.000 0.929 479 K CB -0.106 32.096 32.500 -0.495 0.000 0.713 479 K HN 0.476 nan 8.250 nan 0.000 0.439 480 E N 0.462 120.492 120.200 -0.284 0.000 2.110 480 E HA -0.161 4.189 4.350 -0.001 0.000 0.193 480 E C 1.335 177.825 176.600 -0.185 0.000 0.988 480 E CA 1.029 57.311 56.400 -0.196 0.000 0.804 480 E CB -0.020 29.579 29.700 -0.169 0.000 0.745 480 E HN 0.136 nan 8.360 nan 0.000 0.458 481 L N 0.423 121.482 121.223 -0.274 0.000 2.591 481 L HA 0.211 4.550 4.340 -0.001 0.000 0.228 481 L C 1.138 177.868 176.870 -0.234 0.000 1.133 481 L CA 1.270 55.938 54.840 -0.286 0.000 0.880 481 L CB -1.115 40.671 42.059 -0.454 0.000 1.033 481 L HN 0.333 nan 8.230 nan 0.000 0.450 482 K N -0.022 120.262 120.400 -0.193 0.000 3.117 482 K HA -0.228 4.092 4.320 -0.001 0.000 0.269 482 K C 0.680 177.189 176.600 -0.152 0.000 1.098 482 K CA 1.070 57.272 56.287 -0.142 0.000 0.785 482 K CB -2.889 29.549 32.500 -0.102 0.000 1.242 482 K HN 0.294 nan 8.250 nan 0.000 0.491 483 R N -0.751 119.630 120.500 -0.199 0.000 2.774 483 R HA 0.322 4.662 4.340 -0.001 0.000 0.269 483 R C -2.106 174.151 176.300 -0.071 0.000 1.068 483 R CA -2.092 53.904 56.100 -0.174 0.000 1.180 483 R CB -0.374 29.790 30.300 -0.226 0.000 1.077 483 R HN 0.315 nan 8.270 nan 0.000 0.513 484 P HA -0.037 nan 4.420 nan 0.000 0.266 484 P C 0.608 177.923 177.300 0.026 0.000 1.186 484 P CA 0.646 63.746 63.100 0.001 0.000 0.767 484 P CB 0.374 32.084 31.700 0.016 0.000 0.820 485 K N 2.389 122.806 120.400 0.028 0.000 2.209 485 K HA -0.155 4.165 4.320 -0.001 0.000 0.204 485 K C 2.150 178.789 176.600 0.065 0.000 1.048 485 K CA 2.342 58.659 56.287 0.049 0.000 0.940 485 K CB -1.692 30.832 32.500 0.041 0.000 0.729 485 K HN 0.518 nan 8.250 nan 0.000 0.451 486 K N 1.547 121.976 120.400 0.049 0.000 2.057 486 K HA -0.152 4.168 4.320 -0.001 0.000 0.207 486 K C 2.194 178.831 176.600 0.062 0.000 1.049 486 K CA 1.720 58.033 56.287 0.043 0.000 0.931 486 K CB -0.602 31.913 32.500 0.025 0.000 0.714 486 K HN 0.811 nan 8.250 nan 0.000 0.440 487 E N 0.088 120.348 120.200 0.100 0.000 2.051 487 E HA -0.075 4.275 4.350 -0.001 0.000 0.192 487 E C 2.166 178.940 176.600 0.289 0.000 0.991 487 E CA 1.274 57.789 56.400 0.191 0.000 0.799 487 E CB -0.361 29.493 29.700 0.257 0.000 0.748 487 E HN 0.561 nan 8.360 nan 0.000 0.449 488 I N 1.238 121.947 120.570 0.233 0.000 2.194 488 I HA -0.294 3.875 4.170 -0.001 0.000 0.246 488 I C 2.419 178.741 176.117 0.342 0.000 1.093 488 I CA 0.978 62.457 61.300 0.297 0.000 1.355 488 I CB -0.281 37.830 38.000 0.185 0.000 1.046 488 I HN 0.003 nan 8.210 nan 0.000 0.413 489 S N 0.701 116.523 115.700 0.202 0.000 2.383 489 S HA -0.140 4.329 4.470 -0.001 0.000 0.227 489 S C 1.876 176.529 174.600 0.087 0.000 1.026 489 S CA 1.009 59.297 58.200 0.146 0.000 0.981 489 S CB -0.361 62.888 63.200 0.083 0.000 0.818 489 S HN 0.292 nan 8.310 nan 0.000 0.472 490 L N 1.104 122.333 121.223 0.010 0.000 1.989 490 L HA -0.034 4.306 4.340 -0.001 0.000 0.211 490 L C 1.759 178.507 176.870 -0.202 0.000 1.071 490 L CA 1.919 56.654 54.840 -0.176 0.000 0.749 490 L CB -0.918 40.913 42.059 -0.379 0.000 0.890 490 L HN 0.226 nan 8.230 nan 0.000 0.431 491 F N -0.336 119.689 119.950 0.126 0.000 2.259 491 F HA 0.021 4.548 4.527 -0.000 0.000 0.298 491 F C 2.461 178.345 175.800 0.139 0.000 1.088 491 F CA 0.922 59.003 58.000 0.135 0.000 1.358 491 F CB -1.185 37.890 39.000 0.125 0.000 1.040 491 F HN 0.182 nan 8.300 nan 0.000 0.505 492 A N 0.058 123.042 122.820 0.273 0.000 1.933 492 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 492 A C 2.313 180.049 177.584 0.253 0.000 1.175 492 A CA 1.761 53.878 52.037 0.134 0.000 0.628 492 A CB -0.639 18.416 19.000 0.092 0.000 0.814 492 A HN 0.353 nan 8.150 nan 0.000 0.444 493 K N -0.395 120.094 120.400 0.149 0.000 2.062 493 K HA -0.087 4.233 4.320 -0.001 0.000 0.205 493 K C 2.182 178.854 176.600 0.119 0.000 1.051 493 K CA 1.049 57.395 56.287 0.098 0.000 0.941 493 K CB -0.209 32.303 32.500 0.021 0.000 0.719 493 K HN 0.401 nan 8.250 nan 0.000 0.440 494 R N 0.773 121.345 120.500 0.119 0.000 2.120 494 R HA -0.013 4.327 4.340 -0.001 0.000 0.234 494 R C 1.256 177.748 176.300 0.321 0.000 1.123 494 R CA 0.625 56.822 56.100 0.163 0.000 0.975 494 R CB -0.365 30.049 30.300 0.190 0.000 0.866 494 R HN 0.220 nan 8.270 nan 0.000 0.446 498 Y N 1.757 122.217 120.300 0.266 0.000 2.315 498 Y HA 0.039 4.589 4.550 -0.000 0.000 0.288 498 Y C 1.666 177.661 175.900 0.158 0.000 1.154 498 Y CA 1.372 59.607 58.100 0.225 0.000 1.229 498 Y CB -0.442 38.152 38.460 0.223 0.000 0.980 498 Y HN -0.119 nan 8.280 nan 0.000 0.540 499 K N 0.507 120.606 120.400 -0.502 0.000 2.209 499 K HA -0.126 4.194 4.320 -0.001 0.000 0.204 499 K C 1.386 177.974 176.600 -0.021 0.000 1.048 499 K CA 1.138 57.254 56.287 -0.286 0.000 0.940 499 K CB -0.257 31.992 32.500 -0.419 0.000 0.729 499 K HN 0.409 nan 8.250 nan 0.000 0.451 500 N N 0.850 119.535 118.700 -0.025 0.000 2.453 500 N HA -0.089 4.651 4.740 -0.001 0.000 0.183 500 N C 1.114 176.567 175.510 -0.094 0.000 1.041 500 N CA 0.909 53.918 53.050 -0.067 0.000 0.900 500 N CB 0.149 38.615 38.487 -0.035 0.000 0.961 500 N HN 0.228 nan 8.380 nan 0.000 0.443 501 L N -0.579 120.697 121.223 0.089 0.000 2.857 501 L HA 0.270 4.610 4.340 -0.001 0.000 0.249 501 L C -0.100 176.903 176.870 0.221 0.000 1.172 501 L CA -0.391 54.560 54.840 0.185 0.000 0.980 501 L CB 0.016 42.149 42.059 0.124 0.000 1.299 501 L HN -0.067 nan 8.230 nan 0.000 0.535 502 F N 1.838 121.845 119.950 0.096 0.000 2.445 502 F HA 0.209 4.735 4.527 -0.001 0.000 0.359 502 F C 0.414 176.098 175.800 -0.193 0.000 1.101 502 F CA -0.812 57.151 58.000 -0.061 0.000 1.177 502 F CB 0.614 39.601 39.000 -0.022 0.000 1.110 502 F HN -0.083 nan 8.300 nan 0.000 0.522 503 D N 5.677 125.339 120.400 -1.230 0.000 2.428 503 D HA 0.212 4.851 4.640 -0.001 0.000 0.221 503 D C 0.982 176.683 176.300 -0.998 0.000 1.123 503 D CA 0.080 53.326 54.000 -1.257 0.000 0.869 503 D CB 1.326 41.204 40.800 -1.537 0.000 1.032 503 D HN 0.703 nan 8.370 nan 0.000 0.506 504 K N 2.638 122.774 120.400 -0.440 0.000 2.209 504 K HA -0.140 4.179 4.320 -0.001 0.000 0.204 504 K C 1.916 178.414 176.600 -0.170 0.000 1.048 504 K CA 2.071 58.284 56.287 -0.124 0.000 0.940 504 K CB -1.304 31.255 32.500 0.099 0.000 0.729 504 K HN 0.627 nan 8.250 nan 0.000 0.451 505 E N 0.864 120.924 120.200 -0.233 0.000 2.077 505 E HA -0.147 4.203 4.350 -0.001 0.000 0.193 505 E C 2.181 178.674 176.600 -0.178 0.000 0.989 505 E CA 2.062 58.360 56.400 -0.169 0.000 0.800 505 E CB -0.754 28.850 29.700 -0.160 0.000 0.746 505 E HN 0.952 nan 8.360 nan 0.000 0.452 506 S N -1.212 114.313 115.700 -0.292 0.000 2.517 506 S HA 0.178 4.647 4.470 -0.001 0.000 0.214 506 S C 1.062 175.468 174.600 -0.324 0.000 0.991 506 S CA 0.660 58.721 58.200 -0.232 0.000 0.906 506 S CB 0.161 63.278 63.200 -0.138 0.000 0.789 506 S HN 0.515 nan 8.310 nan 0.000 0.513 507 K N 0.302 120.421 120.400 -0.469 0.000 3.160 507 K HA -0.134 4.186 4.320 -0.001 0.000 0.280 507 K C -0.505 175.719 176.600 -0.627 0.000 1.154 507 K CA 0.760 56.780 56.287 -0.444 0.000 0.822 507 K CB -2.000 30.472 32.500 -0.048 0.000 1.239 507 K HN 0.480 nan 8.250 nan 0.000 0.489 511 G N 2.701 111.364 108.800 -0.229 0.000 2.484 511 G HA2 0.181 4.141 3.960 -0.001 0.000 0.235 511 G HA3 0.181 4.141 3.960 -0.001 0.000 0.235 511 G C -0.740 174.102 174.900 -0.096 0.000 1.282 511 G CA -0.154 44.861 45.100 -0.143 0.000 0.857 511 G HN 0.555 nan 8.290 nan 0.000 0.571 512 R N 1.513 121.991 120.500 -0.037 0.000 2.532 512 R HA 0.169 4.509 4.340 -0.001 0.000 0.297 512 R C -0.268 176.047 176.300 0.026 0.000 0.984 512 R CA -0.853 55.130 56.100 -0.195 0.000 0.884 512 R CB 0.875 30.763 30.300 -0.687 0.000 1.182 512 R HN 0.626 nan 8.270 nan 0.000 0.442 513 N N 2.046 120.743 118.700 -0.004 0.000 2.340 513 N HA -0.099 4.641 4.740 -0.001 0.000 0.236 513 N C 0.700 176.292 175.510 0.136 0.000 1.296 513 N CA 0.074 53.172 53.050 0.081 0.000 0.896 513 N CB 0.722 39.228 38.487 0.033 0.000 1.127 513 N HN 0.725 nan 8.380 nan 0.000 0.442 514 E N 0.367 120.605 120.200 0.063 0.000 2.153 514 E HA -0.221 4.129 4.350 -0.001 0.000 0.194 514 E C 0.398 177.031 176.600 0.056 0.000 0.988 514 E CA 1.200 57.613 56.400 0.022 0.000 0.811 514 E CB 0.051 29.732 29.700 -0.032 0.000 0.746 514 E HN 0.582 nan 8.360 nan 0.000 0.466 515 D N -1.278 119.143 120.400 0.035 0.000 2.349 515 D HA 0.007 4.646 4.640 -0.001 0.000 0.224 515 D C 1.285 177.584 176.300 -0.000 0.000 1.029 515 D CA 0.939 54.948 54.000 0.015 0.000 0.879 515 D CB 0.315 41.115 40.800 -0.000 0.000 0.906 515 D HN 0.355 nan 8.370 nan 0.000 0.528 516 G N -0.078 108.727 108.800 0.008 0.000 2.213 516 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.226 516 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.226 516 G C 0.523 175.261 174.900 -0.270 0.000 0.992 516 G CA 0.340 45.385 45.100 -0.092 0.000 0.632 516 G HN 0.787 nan 8.290 nan 0.000 0.511 517 T N -0.568 113.874 114.554 -0.187 0.000 2.899 517 T HA 0.632 4.981 4.350 -0.001 0.000 0.295 517 T C 0.270 174.804 174.700 -0.277 0.000 1.033 517 T CA -0.474 61.503 62.100 -0.205 0.000 1.084 517 T CB 1.408 70.222 68.868 -0.089 0.000 0.979 517 T HN 0.264 nan 8.240 nan 0.000 0.532 518 F N 2.131 121.966 119.950 -0.192 0.000 2.418 518 F HA 0.332 4.859 4.527 -0.000 0.000 0.341 518 F C 1.009 176.648 175.800 -0.269 0.000 1.120 518 F CA -0.659 57.172 58.000 -0.281 0.000 1.232 518 F CB 0.932 39.724 39.000 -0.346 0.000 1.175 518 F HN 0.701 nan 8.300 nan 0.000 0.569 519 Q N 1.072 120.787 119.800 -0.141 0.000 2.352 519 Q HA 0.493 4.832 4.340 -0.001 0.000 0.260 519 Q C -1.002 174.896 176.000 -0.170 0.000 0.976 519 Q CA -0.141 55.500 55.803 -0.270 0.000 0.881 519 Q CB 1.053 29.300 28.738 -0.818 0.000 1.235 519 Q HN 0.474 nan 8.270 nan 0.000 0.419 520 S N 2.339 117.990 115.700 -0.081 0.000 2.549 520 S HA 0.669 5.139 4.470 -0.001 0.000 0.280 520 S C -2.403 172.205 174.600 0.014 0.000 1.109 520 S CA -1.180 57.013 58.200 -0.010 0.000 0.905 520 S CB 1.255 64.457 63.200 0.003 0.000 1.081 520 S HN 0.818 nan 8.310 nan 0.000 0.477 521 P HA 0.380 nan 4.420 nan 0.000 0.274 521 P C -1.275 176.079 177.300 0.090 0.000 1.231 521 P CA -0.391 62.739 63.100 0.050 0.000 0.790 521 P CB 0.339 32.062 31.700 0.037 0.000 0.951 522 F N 1.515 121.412 119.950 -0.089 0.000 2.405 522 F HA 0.367 4.894 4.527 -0.000 0.000 0.355 522 F C 0.127 175.890 175.800 -0.062 0.000 1.121 522 F CA -0.982 56.950 58.000 -0.114 0.000 1.112 522 F CB 1.037 39.938 39.000 -0.166 0.000 1.126 522 F HN 0.224 nan 8.300 nan 0.000 0.481 523 S N 8.536 123.994 115.700 -0.404 0.000 2.516 523 S HA 0.409 4.879 4.470 -0.001 0.000 0.268 523 S C -1.867 172.347 174.600 -0.643 0.000 1.251 523 S CA -1.498 56.442 58.200 -0.433 0.000 1.153 523 S CB 0.634 63.770 63.200 -0.106 0.000 1.009 523 S HN 0.482 nan 8.310 nan 0.000 0.479 524 P HA 0.002 nan 4.420 nan 0.000 0.222 524 P C 0.784 178.001 177.300 -0.138 0.000 1.147 524 P CA 0.838 63.540 63.100 -0.664 0.000 0.790 524 P CB 0.118 31.523 31.700 -0.491 0.000 0.780 525 L N -1.532 119.678 121.223 -0.022 0.000 2.607 525 L HA 0.140 4.480 4.340 -0.001 0.000 0.228 525 L C 1.239 178.262 176.870 0.255 0.000 1.123 525 L CA -0.164 54.754 54.840 0.130 0.000 0.890 525 L CB -0.251 41.884 42.059 0.127 0.000 1.103 525 L HN -0.124 nan 8.230 nan 0.000 0.468 526 K N 0.850 121.355 120.400 0.176 0.000 2.383 526 K HA 0.000 4.320 4.320 -0.001 0.000 0.286 526 K C -0.879 175.958 176.600 0.395 0.000 1.051 526 K CA -0.507 55.958 56.287 0.297 0.000 0.974 526 K CB 0.397 33.010 32.500 0.188 0.000 0.968 526 K HN -0.097 nan 8.250 nan 0.000 0.475 527 W N 3.552 124.988 121.300 0.226 0.000 2.184 527 W HA 0.325 4.985 4.660 -0.001 0.000 0.338 527 W C 1.129 177.786 176.519 0.231 0.000 1.257 527 W CA 1.036 58.552 57.345 0.285 0.000 1.243 527 W CB 0.147 29.822 29.460 0.358 0.000 1.122 527 W HN 1.000 nan 8.180 nan 0.000 0.585 528 G N 1.571 110.602 108.800 0.385 0.000 2.552 528 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.265 528 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.265 528 G C 0.434 175.080 174.900 -0.423 0.000 1.234 528 G CA 1.094 46.172 45.100 -0.038 0.000 0.944 528 G HN 0.801 nan 8.290 nan 0.000 0.568 529 D N -2.591 117.031 120.400 -1.297 0.000 4.438 529 D HA -0.171 4.469 4.640 -0.001 0.000 0.158 529 D C 2.153 178.175 176.300 -0.463 0.000 0.686 529 D CA 4.118 57.547 54.000 -0.951 0.000 1.183 529 D CB -1.539 38.998 40.800 -0.437 0.000 0.623 529 D HN 1.866 nan 8.370 nan 0.000 0.521 530 A N -0.567 122.069 122.820 -0.306 0.000 2.015 530 A HA 0.216 4.536 4.320 -0.001 0.000 0.219 530 A C 1.183 178.314 177.584 -0.755 0.000 1.163 530 A CA 1.497 53.242 52.037 -0.486 0.000 0.646 530 A CB -0.355 18.318 19.000 -0.544 0.000 0.806 530 A HN 0.256 nan 8.150 nan 0.000 0.448 531 F N -2.255 117.590 119.950 -0.176 0.000 2.585 531 F HA 0.663 5.190 4.527 -0.001 0.000 0.350 531 F C 0.546 176.268 175.800 -0.129 0.000 1.074 531 F CA -0.623 57.237 58.000 -0.233 0.000 1.032 531 F CB 1.166 40.092 39.000 -0.123 0.000 1.330 531 F HN -0.191 nan 8.300 nan 0.000 0.495 532 T N -0.507 114.176 114.554 0.216 0.000 2.916 532 T HA 0.308 4.658 4.350 -0.001 0.000 0.305 532 T C -0.925 174.026 174.700 0.418 0.000 1.119 532 T CA -0.455 61.790 62.100 0.241 0.000 1.008 532 T CB 0.879 69.790 68.868 0.072 0.000 1.129 532 T HN 0.639 nan 8.240 nan 0.000 0.480 533 E N 0.817 121.193 120.200 0.293 0.000 2.360 533 E HA -0.184 4.165 4.350 -0.001 0.000 0.238 533 E C 0.157 176.821 176.600 0.107 0.000 1.186 533 E CA 1.010 57.570 56.400 0.266 0.000 0.719 533 E CB -1.524 28.411 29.700 0.392 0.000 1.236 533 E HN 1.254 nan 8.360 nan 0.000 0.386 534 G N -0.057 108.733 108.800 -0.017 0.000 2.357 534 G HA2 0.131 4.090 3.960 -0.001 0.000 0.289 534 G HA3 0.131 4.090 3.960 -0.001 0.000 0.289 534 G C -0.958 173.734 174.900 -0.348 0.000 1.302 534 G CA -0.302 44.511 45.100 -0.479 0.000 0.936 534 G HN 0.225 nan 8.290 nan 0.000 0.513 535 N N -1.587 116.740 118.700 -0.622 0.000 2.906 535 N HA 0.669 5.408 4.740 -0.001 0.000 0.327 535 N C 1.317 176.353 175.510 -0.791 0.000 1.344 535 N CA 0.371 53.102 53.050 -0.531 0.000 0.823 535 N CB 1.063 39.266 38.487 -0.475 0.000 1.351 535 N HN 0.692 nan 8.380 nan 0.000 0.604 536 S N -1.363 113.876 115.700 -0.768 0.000 2.382 536 S HA -0.083 4.387 4.470 -0.001 0.000 0.228 536 S C 1.031 175.215 174.600 -0.693 0.000 1.027 536 S CA 0.982 58.629 58.200 -0.922 0.000 0.991 536 S CB -0.614 62.323 63.200 -0.439 0.000 0.823 536 S HN 0.552 nan 8.310 nan 0.000 0.469 537 W N 0.917 121.886 121.300 -0.552 0.000 2.421 537 W HA -0.046 4.613 4.660 -0.000 0.000 0.270 537 W C 2.126 178.511 176.519 -0.224 0.000 1.233 537 W CA 1.209 58.315 57.345 -0.398 0.000 1.226 537 W CB -0.243 29.003 29.460 -0.356 0.000 1.121 537 W HN 0.593 nan 8.180 nan 0.000 0.579 538 H N -4.340 114.685 119.070 -0.075 0.000 2.476 538 H HA 0.017 4.573 4.556 -0.001 0.000 0.292 538 H C 1.245 176.525 175.328 -0.079 0.000 1.019 538 H CA 0.950 56.955 56.048 -0.072 0.000 1.330 538 H CB -0.187 29.416 29.762 -0.265 0.000 1.451 538 H HN 0.085 nan 8.280 nan 0.000 0.535 539 Y N 0.606 120.771 120.300 -0.224 0.000 2.510 539 Y HA -0.043 4.507 4.550 -0.001 0.000 0.273 539 Y C 2.122 177.890 175.900 -0.220 0.000 1.119 539 Y CA 0.347 58.351 58.100 -0.159 0.000 1.286 539 Y CB 0.581 38.907 38.460 -0.224 0.000 1.061 539 Y HN 0.087 nan 8.280 nan 0.000 0.542 540 T N -0.636 113.689 114.554 -0.383 0.000 2.849 540 T HA -0.234 4.116 4.350 -0.001 0.000 0.270 540 T C 0.812 175.216 174.700 -0.495 0.000 1.066 540 T CA 1.685 63.457 62.100 -0.547 0.000 1.130 540 T CB -0.421 67.870 68.868 -0.962 0.000 0.864 540 T HN 0.492 nan 8.240 nan 0.000 0.481 541 W N 1.388 122.645 121.300 -0.072 0.000 3.180 541 W HA 0.257 4.917 4.660 -0.000 0.000 0.254 541 W C 1.132 177.592 176.519 -0.099 0.000 1.318 541 W CA -0.513 56.775 57.345 -0.095 0.000 1.608 541 W CB -0.295 29.045 29.460 -0.200 0.000 1.124 541 W HN -0.043 nan 8.180 nan 0.000 0.694 542 S N 1.200 116.884 115.700 -0.026 0.000 4.069 542 S HA 0.211 4.680 4.470 -0.001 0.000 0.192 542 S C 0.179 174.491 174.600 -0.480 0.000 1.441 542 S CA -0.023 57.929 58.200 -0.412 0.000 0.994 542 S CB -0.383 62.825 63.200 0.014 0.000 1.456 542 S HN -0.056 nan 8.310 nan 0.000 0.458 543 V N 2.814 122.390 119.914 -0.563 0.000 2.468 543 V HA 0.228 4.348 4.120 -0.001 0.000 0.256 543 V C 0.406 176.242 176.094 -0.431 0.000 0.998 543 V CA -0.461 61.557 62.300 -0.469 0.000 1.114 543 V CB -0.647 30.761 31.823 -0.692 0.000 1.378 543 V HN 0.606 nan 8.190 nan 0.000 0.573 544 F N 0.749 120.611 119.950 -0.145 0.000 2.126 544 F HA -0.192 4.335 4.527 -0.001 0.000 0.299 544 F C 2.612 178.306 175.800 -0.177 0.000 1.096 544 F CA 2.098 59.944 58.000 -0.256 0.000 1.255 544 F CB -0.514 38.141 39.000 -0.575 0.000 0.997 544 F HN 0.632 nan 8.300 nan 0.000 0.479 545 H N -1.736 117.235 119.070 -0.166 0.000 2.529 545 H HA 0.052 4.607 4.556 -0.001 0.000 0.277 545 H C -0.060 175.119 175.328 -0.248 0.000 0.999 545 H CA 1.275 57.033 56.048 -0.482 0.000 1.256 545 H CB -0.391 28.738 29.762 -1.055 0.000 1.402 545 H HN 0.222 nan 8.280 nan 0.000 0.566 546 D N 0.133 120.167 120.400 -0.611 0.000 3.060 546 D HA 0.223 4.863 4.640 -0.001 0.000 0.326 546 D C -2.072 173.965 176.300 -0.439 0.000 1.253 546 D CA -1.858 51.858 54.000 -0.474 0.000 0.737 546 D CB 0.850 41.365 40.800 -0.474 0.000 1.260 546 D HN 0.025 nan 8.370 nan 0.000 0.542 547 P HA -0.141 nan 4.420 nan 0.000 0.217 547 P C 1.407 178.506 177.300 -0.336 0.000 1.150 547 P CA 0.918 63.760 63.100 -0.431 0.000 0.832 547 P CB 0.478 31.712 31.700 -0.777 0.000 0.787 548 Q N 0.109 119.774 119.800 -0.225 0.000 2.135 548 Q HA -0.110 4.229 4.340 -0.001 0.000 0.204 548 Q C 2.160 178.065 176.000 -0.158 0.000 0.981 548 Q CA 2.310 58.007 55.803 -0.176 0.000 0.856 548 Q CB -1.573 27.095 28.738 -0.116 0.000 0.902 548 Q HN 0.182 nan 8.270 nan 0.000 0.425 549 G N 0.349 109.072 108.800 -0.129 0.000 2.418 549 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.217 549 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.217 549 G C 1.323 176.198 174.900 -0.041 0.000 1.158 549 G CA 0.929 46.013 45.100 -0.026 0.000 0.771 549 G HN 0.418 nan 8.290 nan 0.000 0.545 550 L N 0.691 121.841 121.223 -0.122 0.000 2.056 550 L HA 0.148 4.488 4.340 -0.001 0.000 0.207 550 L C 2.683 179.513 176.870 -0.067 0.000 1.078 550 L CA 1.208 55.991 54.840 -0.095 0.000 0.749 550 L CB -0.456 41.573 42.059 -0.051 0.000 0.901 550 L HN 0.253 nan 8.230 nan 0.000 0.433 551 I N -0.043 120.426 120.570 -0.168 0.000 2.151 551 I HA -0.369 3.800 4.170 -0.001 0.000 0.243 551 I C 2.094 178.167 176.117 -0.073 0.000 1.080 551 I CA 1.636 62.836 61.300 -0.167 0.000 1.339 551 I CB -0.601 37.165 38.000 -0.389 0.000 1.039 551 I HN 0.322 nan 8.210 nan 0.000 0.409 552 D N 0.871 121.204 120.400 -0.111 0.000 2.092 552 D HA -0.077 4.563 4.640 -0.001 0.000 0.193 552 D C 1.316 177.533 176.300 -0.139 0.000 0.994 552 D CA 0.867 54.809 54.000 -0.097 0.000 0.828 552 D CB -0.433 40.309 40.800 -0.096 0.000 0.963 552 D HN 0.171 nan 8.370 nan 0.000 0.450 556 G N 0.576 109.413 108.800 0.062 0.000 2.555 556 G HA2 0.145 4.105 3.960 -0.001 0.000 0.686 556 G HA3 0.145 4.105 3.960 -0.001 0.000 0.686 556 G C 0.762 175.728 174.900 0.110 0.000 1.275 556 G CA 0.326 45.462 45.100 0.060 0.000 0.871 556 G HN 0.959 nan 8.290 nan 0.000 0.603 557 K N -0.029 120.420 120.400 0.082 0.000 2.147 557 K HA -0.030 4.289 4.320 -0.001 0.000 0.205 557 K C 0.882 177.606 176.600 0.208 0.000 1.049 557 K CA 1.745 58.103 56.287 0.119 0.000 0.936 557 K CB -0.031 32.509 32.500 0.067 0.000 0.722 557 K HN 0.533 nan 8.250 nan 0.000 0.446 561 V N 1.238 121.364 119.914 0.354 0.000 2.427 561 V HA -0.115 4.004 4.120 -0.001 0.000 0.248 561 V C 1.359 177.579 176.094 0.210 0.000 1.051 561 V CA 2.105 64.572 62.300 0.278 0.000 1.048 561 V CB -0.947 31.073 31.823 0.328 0.000 0.666 561 V HN 0.432 nan 8.190 nan 0.000 0.456 566 S N 0.749 116.495 115.700 0.076 0.000 2.423 566 S HA -0.073 4.396 4.470 -0.001 0.000 0.231 566 S C 2.064 176.523 174.600 -0.234 0.000 1.014 566 S CA 1.220 59.392 58.200 -0.048 0.000 0.965 566 S CB -0.428 62.743 63.200 -0.049 0.000 0.785 566 S HN 0.074 nan 8.310 nan 0.000 0.495 567 V N 1.046 120.794 119.914 -0.277 0.000 2.287 567 V HA -0.158 3.962 4.120 -0.001 0.000 0.248 567 V C 2.249 178.058 176.094 -0.476 0.000 1.053 567 V CA 2.117 64.149 62.300 -0.446 0.000 1.027 567 V CB -1.099 30.437 31.823 -0.479 0.000 0.646 567 V HN 0.515 nan 8.190 nan 0.000 0.447 568 F N 0.505 120.295 119.950 -0.267 0.000 2.259 568 F HA 0.056 4.583 4.527 -0.001 0.000 0.298 568 F C 2.347 178.083 175.800 -0.107 0.000 1.088 568 F CA 1.137 58.951 58.000 -0.310 0.000 1.358 568 F CB -0.814 37.768 39.000 -0.696 0.000 1.040 568 F HN 0.090 nan 8.300 nan 0.000 0.505 569 A N 0.179 123.059 122.820 0.100 0.000 2.021 569 A HA 0.132 4.452 4.320 -0.001 0.000 0.216 569 A C 1.087 178.680 177.584 0.016 0.000 1.163 569 A CA 0.636 52.729 52.037 0.094 0.000 0.676 569 A CB -1.125 17.931 19.000 0.093 0.000 0.818 569 A HN 0.084 nan 8.150 nan 0.000 0.453 570 V N -2.557 117.314 119.914 -0.071 0.000 3.051 570 V HA 0.397 4.517 4.120 -0.001 0.000 0.306 570 V C -2.605 173.458 176.094 -0.051 0.000 1.083 570 V CA -2.328 59.913 62.300 -0.098 0.000 1.104 570 V CB -0.043 31.650 31.823 -0.218 0.000 1.027 570 V HN 0.170 nan 8.190 nan 0.000 0.483 571 P HA 0.255 nan 4.420 nan 0.000 0.272 571 P C -2.517 174.786 177.300 0.004 0.000 1.240 571 P CA -1.692 61.406 63.100 -0.003 0.000 0.791 571 P CB -0.428 31.267 31.700 -0.007 0.000 0.978 572 P HA 0.097 nan 4.420 nan 0.000 0.225 572 P C 0.071 177.486 177.300 0.191 0.000 1.768 572 P CA 0.042 63.216 63.100 0.124 0.000 0.943 572 P CB -0.795 30.988 31.700 0.137 0.000 1.936 573 I N -1.087 119.536 120.570 0.088 0.000 2.823 573 I HA 0.564 4.734 4.170 -0.001 0.000 0.290 573 I C -0.103 176.120 176.117 0.176 0.000 1.091 573 I CA -0.755 60.556 61.300 0.018 0.000 1.365 573 I CB 0.159 38.106 38.000 -0.089 0.000 1.427 573 I HN -0.067 nan 8.210 nan 0.000 0.583 574 F N 0.936 120.919 119.950 0.055 0.000 2.686 574 F HA 0.611 5.137 4.527 -0.001 0.000 0.311 574 F C -1.444 174.402 175.800 0.078 0.000 1.128 574 F CA -1.227 56.845 58.000 0.119 0.000 0.946 574 F CB 1.190 40.199 39.000 0.015 0.000 1.336 574 F HN 0.433 nan 8.300 nan 0.000 0.457 575 D N 1.273 121.903 120.400 0.384 0.000 2.471 575 D HA 0.222 4.861 4.640 -0.001 0.000 0.245 575 D C -0.511 176.024 176.300 0.391 0.000 1.116 575 D CA -0.466 53.694 54.000 0.266 0.000 0.853 575 D CB 1.220 42.123 40.800 0.172 0.000 1.123 575 D HN 0.680 nan 8.370 nan 0.000 0.540 576 D N 1.275 121.908 120.400 0.387 0.000 2.342 576 D HA -0.059 4.581 4.640 -0.001 0.000 0.221 576 D C 1.204 177.677 176.300 0.287 0.000 1.101 576 D CA -0.038 54.170 54.000 0.345 0.000 0.837 576 D CB -0.074 40.883 40.800 0.261 0.000 0.938 576 D HN 0.193 nan 8.370 nan 0.000 0.508 577 S N -0.706 115.124 115.700 0.217 0.000 2.442 577 S HA -0.258 4.212 4.470 -0.001 0.000 0.236 577 S C 1.873 176.531 174.600 0.096 0.000 1.007 577 S CA 0.257 58.539 58.200 0.136 0.000 0.965 577 S CB -0.923 62.342 63.200 0.109 0.000 0.773 577 S HN 0.328 nan 8.310 nan 0.000 0.504 578 Y N 1.657 121.918 120.300 -0.066 0.000 2.256 578 Y HA -0.130 4.419 4.550 -0.001 0.000 0.288 578 Y C 1.614 177.251 175.900 -0.439 0.000 1.155 578 Y CA 1.263 59.176 58.100 -0.312 0.000 1.203 578 Y CB -0.379 37.768 38.460 -0.522 0.000 0.980 578 Y HN 0.339 nan 8.280 nan 0.000 0.530 579 Y N -1.902 118.442 120.300 0.072 0.000 2.503 579 Y HA 0.288 4.837 4.550 -0.000 0.000 0.277 579 Y C 2.190 178.069 175.900 -0.036 0.000 1.102 579 Y CA 0.461 58.549 58.100 -0.020 0.000 1.261 579 Y CB -0.165 38.300 38.460 0.009 0.000 1.096 579 Y HN 0.047 nan 8.280 nan 0.000 0.546 580 G N 0.468 109.337 108.800 0.114 0.000 2.176 580 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.253 580 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.253 580 G C -0.025 174.920 174.900 0.074 0.000 0.979 580 G CA 0.391 45.531 45.100 0.067 0.000 0.641 580 G HN 0.509 nan 8.290 nan 0.000 0.530 581 Q N -2.045 117.813 119.800 0.097 0.000 2.702 581 Q HA 0.577 4.917 4.340 -0.001 0.000 0.289 581 Q C -0.988 174.996 176.000 -0.026 0.000 0.923 581 Q CA -1.050 54.776 55.803 0.037 0.000 0.787 581 Q CB 1.335 30.078 28.738 0.008 0.000 1.476 581 Q HN 0.468 nan 8.270 nan 0.000 0.402 582 V N 3.165 123.025 119.914 -0.091 0.000 2.352 582 V HA 0.180 4.300 4.120 -0.001 0.000 0.253 582 V C 0.735 176.630 176.094 -0.331 0.000 1.083 582 V CA -0.301 61.839 62.300 -0.266 0.000 0.993 582 V CB -1.059 30.625 31.823 -0.233 0.000 1.111 582 V HN 0.651 nan 8.190 nan 0.000 0.490 583 I N 1.564 121.866 120.570 -0.447 0.000 3.060 583 I HA 0.213 4.383 4.170 -0.001 0.000 0.285 583 I C 1.765 177.612 176.117 -0.449 0.000 1.190 583 I CA -0.162 60.864 61.300 -0.457 0.000 1.363 583 I CB 0.333 37.937 38.000 -0.660 0.000 1.396 583 I HN 0.741 nan 8.210 nan 0.000 0.607 584 H N 1.206 120.086 119.070 -0.316 0.000 2.421 584 H HA -0.076 4.480 4.556 -0.001 0.000 0.298 584 H C 1.444 176.651 175.328 -0.202 0.000 1.087 584 H CA 1.618 57.535 56.048 -0.218 0.000 1.330 584 H CB -0.363 29.337 29.762 -0.103 0.000 1.388 584 H HN 0.745 nan 8.280 nan 0.000 0.526 585 E N 0.858 120.582 120.200 -0.793 0.000 2.153 585 E HA -0.054 4.295 4.350 -0.001 0.000 0.194 585 E C 2.069 178.436 176.600 -0.388 0.000 0.988 585 E CA 1.365 57.498 56.400 -0.445 0.000 0.811 585 E CB -0.067 29.451 29.700 -0.303 0.000 0.746 585 E HN 0.611 nan 8.360 nan 0.000 0.466 586 I N 0.288 120.386 120.570 -0.787 0.000 2.202 586 I HA -0.219 3.951 4.170 -0.001 0.000 0.242 586 I C 2.434 178.210 176.117 -0.568 0.000 1.091 586 I CA 0.789 61.477 61.300 -1.020 0.000 1.368 586 I CB -0.141 36.947 38.000 -1.522 0.000 1.058 586 I HN 0.020 nan 8.210 nan 0.000 0.410 587 R N 1.595 121.829 120.500 -0.443 0.000 2.091 587 R HA -0.121 4.218 4.340 -0.001 0.000 0.238 587 R C 0.910 177.132 176.300 -0.130 0.000 1.136 587 R CA 1.177 57.131 56.100 -0.243 0.000 0.959 587 R CB -0.447 29.757 30.300 -0.160 0.000 0.856 587 R HN 0.385 nan 8.270 nan 0.000 0.437 596 N N -0.046 118.607 118.700 -0.079 0.000 2.314 596 N HA 0.075 4.815 4.740 -0.001 0.000 0.200 596 N C -0.535 174.954 175.510 -0.034 0.000 1.135 596 N CA -0.080 52.967 53.050 -0.006 0.000 0.835 596 N CB 0.259 38.700 38.487 -0.077 0.000 0.989 596 N HN 0.333 nan 8.380 nan 0.000 0.478 597 Y N 1.870 121.995 120.300 -0.292 0.000 2.613 597 Y HA 0.284 4.834 4.550 -0.001 0.000 0.354 597 Y C -0.076 175.712 175.900 -0.186 0.000 1.063 597 Y CA -0.914 56.968 58.100 -0.365 0.000 1.384 597 Y CB -0.008 38.097 38.460 -0.593 0.000 1.199 597 Y HN -0.050 nan 8.280 nan 0.000 0.517 598 A N 6.206 128.612 122.820 -0.691 0.000 2.774 598 A HA 0.127 4.446 4.320 -0.001 0.000 0.326 598 A C 1.245 178.411 177.584 -0.696 0.000 1.478 598 A CA -0.388 51.334 52.037 -0.525 0.000 1.099 598 A CB -0.731 17.997 19.000 -0.453 0.000 1.148 598 A HN 1.039 nan 8.150 nan 0.000 0.519 599 H N 2.541 121.180 119.070 -0.719 0.000 2.460 599 H HA -0.181 4.375 4.556 -0.001 0.000 0.297 599 H C 1.915 176.989 175.328 -0.424 0.000 1.103 599 H CA 1.893 57.551 56.048 -0.650 0.000 1.292 599 H CB 0.291 29.882 29.762 -0.285 0.000 1.376 599 H HN 0.705 nan 8.280 nan 0.000 0.531 600 G N 0.047 108.635 108.800 -0.354 0.000 2.484 600 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.218 600 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.218 600 G C 0.525 175.280 174.900 -0.242 0.000 1.130 600 G CA -0.188 44.753 45.100 -0.265 0.000 0.784 600 G HN 0.427 nan 8.290 nan 0.000 0.543 601 N N 0.899 119.414 118.700 -0.309 0.000 2.405 601 N HA 0.160 4.900 4.740 -0.001 0.000 0.260 601 N C 0.942 176.300 175.510 -0.253 0.000 1.152 601 N CA -0.419 52.495 53.050 -0.227 0.000 0.948 601 N CB 0.896 39.157 38.487 -0.377 0.000 1.111 601 N HN -0.014 nan 8.380 nan 0.000 0.485 602 Q N 2.665 122.369 119.800 -0.159 0.000 2.133 602 Q HA -0.161 4.179 4.340 -0.001 0.000 0.208 602 Q C -0.773 175.043 176.000 -0.307 0.000 0.991 602 Q CA 1.949 57.566 55.803 -0.310 0.000 0.867 602 Q CB -0.872 27.508 28.738 -0.597 0.000 0.911 602 Q HN 0.588 nan 8.270 nan 0.000 0.417 603 P HA -0.108 nan 4.420 nan 0.000 0.222 603 P C 0.827 178.082 177.300 -0.074 0.000 1.147 603 P CA 1.003 63.908 63.100 -0.323 0.000 0.790 603 P CB 0.071 31.286 31.700 -0.808 0.000 0.780 604 I N -1.121 119.357 120.570 -0.154 0.000 3.728 604 I HA -0.041 4.129 4.170 -0.001 0.000 0.307 604 I C 1.701 177.778 176.117 -0.066 0.000 1.276 604 I CA 0.451 61.671 61.300 -0.135 0.000 1.285 604 I CB -0.027 37.791 38.000 -0.303 0.000 1.038 604 I HN -0.090 nan 8.210 nan 0.000 0.445 605 Q N 0.239 120.040 119.800 0.002 0.000 2.291 605 Q HA -0.149 4.191 4.340 -0.001 0.000 0.205 605 Q C 0.649 176.869 176.000 0.367 0.000 0.970 605 Q CA 0.719 56.563 55.803 0.068 0.000 0.876 605 Q CB -0.119 28.572 28.738 -0.079 0.000 0.935 605 Q HN 0.640 nan 8.270 nan 0.000 0.455 609 Y N 2.024 122.393 120.300 0.115 0.000 2.403 609 Y HA -0.047 4.503 4.550 -0.001 0.000 0.291 609 Y C 2.259 178.338 175.900 0.298 0.000 1.143 609 Y CA 1.353 59.585 58.100 0.220 0.000 1.257 609 Y CB -0.175 38.437 38.460 0.253 0.000 0.984 609 Y HN 0.180 nan 8.280 nan 0.000 0.550 610 L N -1.813 119.567 121.223 0.262 0.000 2.362 610 L HA -0.214 4.125 4.340 -0.001 0.000 0.219 610 L C 1.681 178.743 176.870 0.321 0.000 1.134 610 L CA 0.729 55.725 54.840 0.261 0.000 0.807 610 L CB -0.671 41.441 42.059 0.087 0.000 0.927 610 L HN 0.238 nan 8.230 nan 0.000 0.447 611 Y N 0.761 121.188 120.300 0.212 0.000 2.193 611 Y HA -0.306 4.244 4.550 -0.001 0.000 0.285 611 Y C 2.299 178.257 175.900 0.095 0.000 1.166 611 Y CA 1.452 59.627 58.100 0.125 0.000 1.181 611 Y CB -0.557 37.899 38.460 -0.007 0.000 0.976 611 Y HN 0.248 nan 8.280 nan 0.000 0.520 612 D N -1.405 119.188 120.400 0.322 0.000 2.149 612 D HA -0.204 4.435 4.640 -0.001 0.000 0.198 612 D C 1.695 178.073 176.300 0.129 0.000 0.990 612 D CA 1.493 55.607 54.000 0.191 0.000 0.839 612 D CB -0.505 40.410 40.800 0.192 0.000 0.948 612 D HN 0.385 nan 8.370 nan 0.000 0.460 613 Y N -0.100 120.240 120.300 0.068 0.000 2.561 613 Y HA 0.223 4.773 4.550 -0.001 0.000 0.291 613 Y C 1.958 177.801 175.900 -0.094 0.000 1.141 613 Y CA 0.478 58.563 58.100 -0.025 0.000 1.303 613 Y CB -0.071 38.332 38.460 -0.094 0.000 1.015 613 Y HN -0.068 nan 8.280 nan 0.000 0.547 614 A N -0.877 122.004 122.820 0.101 0.000 2.430 614 A HA 0.538 4.858 4.320 -0.001 0.000 0.243 614 A C 1.817 179.439 177.584 0.063 0.000 1.254 614 A CA 0.480 52.545 52.037 0.046 0.000 0.914 614 A CB -0.646 18.455 19.000 0.169 0.000 0.998 614 A HN 0.469 nan 8.150 nan 0.000 0.515 615 G N -0.668 108.157 108.800 0.040 0.000 2.136 615 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.242 615 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.242 615 G C 0.012 174.820 174.900 -0.153 0.000 0.989 615 G CA 0.341 45.454 45.100 0.022 0.000 0.682 615 G HN 0.587 nan 8.290 nan 0.000 0.522 616 Q N -0.379 119.209 119.800 -0.354 0.000 2.831 616 Q HA 0.209 4.548 4.340 -0.001 0.000 0.366 616 Q C -1.758 173.680 176.000 -0.936 0.000 0.899 616 Q CA -1.545 53.530 55.803 -1.213 0.000 0.987 616 Q CB 1.762 29.888 28.738 -1.020 0.000 1.382 616 Q HN 0.314 nan 8.270 nan 0.000 0.403 617 P HA -0.184 nan 4.420 nan 0.000 0.221 617 P C 0.792 178.097 177.300 0.007 0.000 1.145 617 P CA 1.095 64.161 63.100 -0.056 0.000 0.795 617 P CB -0.147 31.631 31.700 0.130 0.000 0.775 618 W N 1.123 122.484 121.300 0.101 0.000 2.425 618 W HA 0.064 4.723 4.660 -0.001 0.000 0.277 618 W C 1.759 178.366 176.519 0.148 0.000 1.231 618 W CA 0.720 58.166 57.345 0.169 0.000 1.248 618 W CB -1.446 28.038 29.460 0.039 0.000 1.117 618 W HN -0.143 nan 8.180 nan 0.000 0.568 619 K N 0.735 120.869 120.400 -0.442 0.000 2.103 619 K HA 0.015 4.334 4.320 -0.001 0.000 0.204 619 K C 2.500 178.918 176.600 -0.304 0.000 1.052 619 K CA 1.255 57.231 56.287 -0.519 0.000 0.945 619 K CB -0.460 31.306 32.500 -1.224 0.000 0.722 619 K HN 0.218 nan 8.250 nan 0.000 0.443 620 A N 1.665 124.395 122.820 -0.150 0.000 1.877 620 A HA -0.256 4.063 4.320 -0.001 0.000 0.216 620 A C 2.068 179.644 177.584 -0.014 0.000 1.186 620 A CA 1.478 53.545 52.037 0.051 0.000 0.620 620 A CB -0.529 18.515 19.000 0.072 0.000 0.822 620 A HN 0.294 nan 8.150 nan 0.000 0.443 621 Q N -1.969 117.861 119.800 0.050 0.000 2.096 621 Q HA -0.221 4.118 4.340 -0.001 0.000 0.204 621 Q C 2.022 177.967 176.000 -0.091 0.000 0.982 621 Q CA 1.992 57.822 55.803 0.045 0.000 0.850 621 Q CB -0.444 28.415 28.738 0.202 0.000 0.901 621 Q HN 0.845 nan 8.270 nan 0.000 0.422 622 Y N -0.553 119.633 120.300 -0.190 0.000 2.114 622 Y HA -0.272 4.278 4.550 -0.001 0.000 0.284 622 Y C 1.579 177.083 175.900 -0.661 0.000 1.143 622 Y CA 1.696 59.492 58.100 -0.506 0.000 1.135 622 Y CB -0.346 37.842 38.460 -0.453 0.000 0.980 622 Y HN 0.134 nan 8.280 nan 0.000 0.499 623 W N 0.068 121.183 121.300 -0.308 0.000 2.418 623 W HA -0.098 4.562 4.660 -0.001 0.000 0.292 623 W C 2.259 178.534 176.519 -0.406 0.000 1.213 623 W CA 0.784 57.853 57.345 -0.460 0.000 1.283 623 W CB -0.301 28.847 29.460 -0.520 0.000 1.119 623 W HN 0.062 nan 8.180 nan 0.000 0.542 624 L N 0.105 121.270 121.223 -0.096 0.000 2.046 624 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 624 L C 2.627 179.408 176.870 -0.149 0.000 1.077 624 L CA 1.287 56.078 54.840 -0.081 0.000 0.747 624 L CB -0.698 41.249 42.059 -0.187 0.000 0.896 624 L HN -0.076 nan 8.230 nan 0.000 0.432 625 R N -0.145 120.146 120.500 -0.348 0.000 2.092 625 R HA -0.146 4.194 4.340 -0.001 0.000 0.231 625 R C 2.300 178.334 176.300 -0.443 0.000 1.119 625 R CA 1.245 57.079 56.100 -0.444 0.000 0.970 625 R CB -0.277 29.609 30.300 -0.690 0.000 0.864 625 R HN 0.292 nan 8.270 nan 0.000 0.440 626 Q N 0.144 119.619 119.800 -0.542 0.000 2.061 626 Q HA -0.063 4.277 4.340 -0.001 0.000 0.204 626 Q C 0.879 176.807 176.000 -0.120 0.000 0.984 626 Q CA 1.254 56.829 55.803 -0.381 0.000 0.846 626 Q CB -0.601 27.925 28.738 -0.352 0.000 0.902 626 Q HN 0.225 nan 8.270 nan 0.000 0.421 633 T N -0.731 113.799 114.554 -0.040 0.000 2.906 633 T HA 0.536 4.885 4.350 -0.001 0.000 0.295 633 T C -2.664 171.971 174.700 -0.109 0.000 1.075 633 T CA -2.277 59.791 62.100 -0.052 0.000 1.005 633 T CB 2.852 71.696 68.868 -0.040 0.000 1.136 633 T HN 0.283 nan 8.240 nan 0.000 0.498 634 P HA 0.214 nan 4.420 nan 0.000 0.249 634 P C 0.859 178.122 177.300 -0.061 0.000 1.229 634 P CA 0.083 63.148 63.100 -0.059 0.000 0.788 634 P CB -0.202 31.500 31.700 0.005 0.000 1.072 635 G N 1.492 110.245 108.800 -0.079 0.000 2.525 635 G HA2 0.260 4.219 3.960 -0.001 0.000 0.287 635 G HA3 0.260 4.219 3.960 -0.001 0.000 0.287 635 G C -1.627 173.190 174.900 -0.139 0.000 1.350 635 G CA -1.202 43.835 45.100 -0.105 0.000 1.039 635 G HN -0.118 nan 8.290 nan 0.000 0.513 636 P HA -0.037 nan 4.420 nan 0.000 0.216 636 P C 0.694 177.928 177.300 -0.111 0.000 1.150 636 P CA 1.282 64.219 63.100 -0.271 0.000 0.837 636 P CB 0.127 31.342 31.700 -0.808 0.000 0.786 637 D N -1.137 119.196 120.400 -0.112 0.000 2.881 637 D HA 0.096 4.736 4.640 -0.001 0.000 0.240 637 D C 1.510 177.793 176.300 -0.028 0.000 1.249 637 D CA -0.327 53.655 54.000 -0.029 0.000 0.839 637 D CB -0.989 39.793 40.800 -0.029 0.000 1.042 637 D HN 0.048 nan 8.370 nan 0.000 0.475 638 G N -0.321 108.446 108.800 -0.055 0.000 2.402 638 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.216 638 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.216 638 G C 0.237 175.004 174.900 -0.221 0.000 1.162 638 G CA 0.390 45.389 45.100 -0.170 0.000 0.777 638 G HN 0.312 nan 8.290 nan 0.000 0.539 639 Y N -0.937 119.337 120.300 -0.043 0.000 2.354 639 Y HA 0.316 4.866 4.550 -0.001 0.000 0.322 639 Y C 1.753 177.584 175.900 -0.115 0.000 1.253 639 Y CA -0.806 57.217 58.100 -0.128 0.000 1.272 639 Y CB 1.142 39.563 38.460 -0.065 0.000 1.255 639 Y HN 0.125 nan 8.280 nan 0.000 0.500 640 C N -1.548 117.747 119.300 -0.008 0.000 2.697 640 C HA 0.733 5.192 4.460 -0.001 0.000 0.267 640 C C 0.831 175.843 174.990 0.037 0.000 1.278 640 C CA 0.236 59.250 59.018 -0.007 0.000 1.708 640 C CB -1.482 26.228 27.740 -0.049 0.000 1.860 640 C HN 0.957 nan 8.230 nan 0.000 0.589 641 G N -0.502 108.339 108.800 0.068 0.000 2.427 641 G HA2 0.420 4.380 3.960 -0.001 0.000 0.306 641 G HA3 0.420 4.380 3.960 -0.001 0.000 0.306 641 G C -2.166 172.791 174.900 0.094 0.000 1.280 641 G CA -0.513 44.647 45.100 0.100 0.000 0.837 641 G HN 0.074 nan 8.290 nan 0.000 0.482 642 D N 0.406 120.892 120.400 0.143 0.000 2.472 642 D HA 0.154 4.794 4.640 -0.001 0.000 0.237 642 D C 1.234 177.500 176.300 -0.058 0.000 1.141 642 D CA -0.130 53.936 54.000 0.111 0.000 0.875 642 D CB 1.613 42.565 40.800 0.252 0.000 1.192 642 D HN 0.427 nan 8.370 nan 0.000 0.450 643 E N 1.139 121.210 120.200 -0.215 0.000 2.208 643 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 643 E C -0.464 176.059 176.600 -0.129 0.000 0.988 643 E CA 0.459 56.610 56.400 -0.414 0.000 0.828 643 E CB 0.130 29.471 29.700 -0.599 0.000 0.763 643 E HN 0.386 nan 8.360 nan 0.000 0.478 644 D N 0.755 121.144 120.400 -0.017 0.000 2.737 644 D HA -0.218 4.421 4.640 -0.001 0.000 0.238 644 D C -0.501 175.833 176.300 0.057 0.000 1.157 644 D CA 1.039 55.091 54.000 0.086 0.000 0.694 644 D CB -1.835 39.057 40.800 0.154 0.000 1.021 644 D HN 0.339 nan 8.370 nan 0.000 0.420 645 N N -1.164 117.512 118.700 -0.041 0.000 2.741 645 N HA -0.221 4.519 4.740 -0.001 0.000 0.250 645 N C 1.145 176.713 175.510 0.097 0.000 1.115 645 N CA 2.252 55.252 53.050 -0.082 0.000 0.724 645 N CB -1.043 37.412 38.487 -0.055 0.000 1.090 645 N HN 0.780 nan 8.380 nan 0.000 0.558 646 G N -1.529 107.334 108.800 0.105 0.000 2.254 646 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.225 646 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.225 646 G C 0.705 175.712 174.900 0.178 0.000 1.003 646 G CA 0.891 46.084 45.100 0.154 0.000 0.622 646 G HN 0.515 nan 8.290 nan 0.000 0.507 647 Q N 1.121 121.016 119.800 0.158 0.000 2.020 647 Q HA 0.032 4.372 4.340 -0.001 0.000 0.202 647 Q C 2.457 178.628 176.000 0.285 0.000 0.982 647 Q CA 3.094 59.012 55.803 0.191 0.000 0.838 647 Q CB -0.933 27.870 28.738 0.108 0.000 0.899 647 Q HN 0.486 nan 8.270 nan 0.000 0.423 648 T N -0.021 114.666 114.554 0.221 0.000 2.915 648 T HA -0.048 4.302 4.350 -0.001 0.000 0.269 648 T C 1.881 176.945 174.700 0.607 0.000 1.071 648 T CA 1.194 63.492 62.100 0.330 0.000 1.132 648 T CB -0.227 68.713 68.868 0.119 0.000 0.878 648 T HN 0.248 nan 8.240 nan 0.000 0.479 649 S N 1.364 117.340 115.700 0.460 0.000 2.357 649 S HA 0.080 4.550 4.470 -0.001 0.000 0.221 649 S C 2.602 177.452 174.600 0.417 0.000 1.031 649 S CA 0.808 59.308 58.200 0.499 0.000 0.982 649 S CB -0.465 62.937 63.200 0.336 0.000 0.853 649 S HN 0.573 nan 8.310 nan 0.000 0.458 650 A N 0.297 123.329 122.820 0.353 0.000 2.019 650 A HA -0.136 4.184 4.320 -0.001 0.000 0.219 650 A C 1.763 179.635 177.584 0.480 0.000 1.164 650 A CA 1.220 53.444 52.037 0.313 0.000 0.644 650 A CB -1.003 18.167 19.000 0.283 0.000 0.805 650 A HN 0.713 nan 8.150 nan 0.000 0.449 651 W N -0.700 120.868 121.300 0.447 0.000 2.318 651 W HA -0.290 4.369 4.660 -0.001 0.000 0.313 651 W C 2.032 178.819 176.519 0.446 0.000 1.221 651 W CA 2.215 59.905 57.345 0.575 0.000 1.266 651 W CB -0.428 29.369 29.460 0.563 0.000 1.150 651 W HN 0.473 nan 8.180 nan 0.000 0.496 652 Y N 0.094 120.695 120.300 0.501 0.000 2.200 652 Y HA -0.248 4.302 4.550 -0.001 0.000 0.290 652 Y C 2.325 178.239 175.900 0.024 0.000 1.137 652 Y CA 2.569 60.727 58.100 0.097 0.000 1.163 652 Y CB -0.846 37.449 38.460 -0.275 0.000 0.988 652 Y HN -0.178 nan 8.280 nan 0.000 0.518 653 V N -0.180 119.825 119.914 0.152 0.000 2.231 653 V HA -0.350 3.770 4.120 -0.001 0.000 0.248 653 V C 2.148 178.218 176.094 -0.040 0.000 1.054 653 V CA 2.269 64.524 62.300 -0.074 0.000 1.015 653 V CB -0.998 30.662 31.823 -0.271 0.000 0.638 653 V HN 0.338 nan 8.190 nan 0.000 0.444 654 F N 0.986 120.886 119.950 -0.082 0.000 2.069 654 F HA -0.180 4.346 4.527 -0.000 0.000 0.298 654 F C 2.754 178.347 175.800 -0.344 0.000 1.113 654 F CA 2.048 59.914 58.000 -0.223 0.000 1.214 654 F CB -0.824 38.104 39.000 -0.121 0.000 0.978 654 F HN 0.046 nan 8.300 nan 0.000 0.474 655 S N -0.242 115.352 115.700 -0.178 0.000 2.399 655 S HA -0.155 4.315 4.470 -0.001 0.000 0.231 655 S C 2.271 176.680 174.600 -0.319 0.000 1.022 655 S CA 0.883 58.876 58.200 -0.345 0.000 0.983 655 S CB -0.692 61.983 63.200 -0.876 0.000 0.803 655 S HN 0.378 nan 8.310 nan 0.000 0.480 656 A N 1.398 124.010 122.820 -0.347 0.000 1.969 656 A HA 0.069 4.389 4.320 -0.001 0.000 0.218 656 A C 2.023 179.512 177.584 -0.159 0.000 1.169 656 A CA 0.914 52.775 52.037 -0.294 0.000 0.635 656 A CB -0.576 18.318 19.000 -0.177 0.000 0.810 656 A HN 0.464 nan 8.150 nan 0.000 0.445 657 L N -1.818 119.285 121.223 -0.200 0.000 2.217 657 L HA 0.066 4.406 4.340 -0.001 0.000 0.211 657 L C 1.797 178.478 176.870 -0.315 0.000 1.107 657 L CA 0.951 55.611 54.840 -0.299 0.000 0.783 657 L CB -0.295 41.432 42.059 -0.554 0.000 0.919 657 L HN 0.617 nan 8.230 nan 0.000 0.442 658 G N -0.349 108.257 108.800 -0.324 0.000 2.164 658 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.154 658 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.154 658 G C -0.092 174.909 174.900 0.169 0.000 1.014 658 G CA -0.122 44.950 45.100 -0.046 0.000 0.683 658 G HN 0.281 nan 8.290 nan 0.000 0.500 659 F N -2.149 117.923 119.950 0.203 0.000 2.741 659 F HA 0.851 5.378 4.527 -0.001 0.000 0.313 659 F C -1.094 174.774 175.800 0.113 0.000 1.153 659 F CA -2.651 55.474 58.000 0.209 0.000 0.931 659 F CB 1.116 40.223 39.000 0.178 0.000 1.335 659 F HN 0.264 nan 8.300 nan 0.000 0.460 660 Y N 1.171 121.420 120.300 -0.086 0.000 2.521 660 Y HA 0.559 5.109 4.550 -0.001 0.000 0.332 660 Y C -2.963 172.663 175.900 -0.457 0.000 1.121 660 Y CA -2.277 55.447 58.100 -0.626 0.000 1.037 660 Y CB 3.190 40.889 38.460 -1.269 0.000 1.330 660 Y HN 0.452 nan 8.280 nan 0.000 0.452 661 P HA 0.110 nan 4.420 nan 0.000 0.238 661 P C 0.509 177.573 177.300 -0.393 0.000 1.794 661 P CA 0.232 62.954 63.100 -0.630 0.000 1.088 661 P CB 0.739 32.039 31.700 -0.666 0.000 1.923 662 V N 1.217 121.120 119.914 -0.018 0.000 2.324 662 V HA -0.217 3.903 4.120 -0.001 0.000 0.250 662 V C 1.446 177.593 176.094 0.088 0.000 1.060 662 V CA 1.862 64.302 62.300 0.232 0.000 1.042 662 V CB -0.358 31.687 31.823 0.369 0.000 0.650 662 V HN 0.532 nan 8.190 nan 0.000 0.450 663 C N 1.864 121.178 119.300 0.023 0.000 2.621 663 C HA 0.508 4.968 4.460 -0.001 0.000 0.272 663 C C -2.511 172.497 174.990 0.029 0.000 1.119 663 C CA -2.278 56.751 59.018 0.018 0.000 1.593 663 C CB -0.500 27.265 27.740 0.040 0.000 1.749 663 C HN 0.304 nan 8.230 nan 0.000 0.420 664 P HA 0.287 nan 4.420 nan 0.000 0.266 664 P C 0.940 178.363 177.300 0.205 0.000 1.193 664 P CA 2.086 65.222 63.100 0.059 0.000 0.770 664 P CB 0.490 32.254 31.700 0.107 0.000 0.836 665 G N 0.618 109.463 108.800 0.075 0.000 2.284 665 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.230 665 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.230 665 G C 0.454 175.410 174.900 0.094 0.000 1.021 665 G CA 0.354 45.504 45.100 0.082 0.000 0.619 665 G HN 0.848 nan 8.290 nan 0.000 0.510 666 T N -0.881 113.748 114.554 0.124 0.000 2.849 666 T HA 0.525 4.874 4.350 -0.001 0.000 0.276 666 T C 0.748 175.358 174.700 -0.150 0.000 0.971 666 T CA 0.646 62.719 62.100 -0.044 0.000 0.949 666 T CB 1.641 70.437 68.868 -0.120 0.000 1.093 666 T HN 0.403 nan 8.240 nan 0.000 0.545 667 D N -1.275 119.038 120.400 -0.146 0.000 2.427 667 D HA 0.138 4.778 4.640 -0.001 0.000 0.224 667 D C -0.039 176.156 176.300 -0.176 0.000 1.157 667 D CA -0.362 53.542 54.000 -0.160 0.000 0.828 667 D CB -0.143 40.623 40.800 -0.056 0.000 0.974 667 D HN 0.715 nan 8.370 nan 0.000 0.498 668 E N -0.107 119.946 120.200 -0.245 0.000 2.202 668 E HA 0.380 4.730 4.350 -0.001 0.000 0.272 668 E C -1.030 175.309 176.600 -0.435 0.000 0.951 668 E CA -0.838 55.470 56.400 -0.153 0.000 0.813 668 E CB 1.433 31.107 29.700 -0.043 0.000 1.151 668 E HN 0.123 nan 8.360 nan 0.000 0.398 669 Y N 0.441 120.792 120.300 0.085 0.000 2.341 669 Y HA 0.290 4.840 4.550 -0.000 0.000 0.338 669 Y C 0.206 176.200 175.900 0.156 0.000 0.965 669 Y CA -0.873 57.263 58.100 0.060 0.000 1.108 669 Y CB 1.119 39.601 38.460 0.036 0.000 1.180 669 Y HN 0.225 nan 8.280 nan 0.000 0.458 673 T N 2.628 117.216 114.554 0.057 0.000 3.172 673 T HA 0.641 4.991 4.350 -0.001 0.000 0.320 673 T C -3.072 171.607 174.700 -0.034 0.000 1.085 673 T CA -0.781 61.336 62.100 0.028 0.000 1.052 673 T CB 2.187 71.061 68.868 0.010 0.000 1.107 673 T HN 0.371 nan 8.240 nan 0.000 0.458 674 P HA 0.251 nan 4.420 nan 0.000 0.275 674 P C 0.431 177.648 177.300 -0.138 0.000 1.228 674 P CA -0.547 62.512 63.100 -0.068 0.000 0.786 674 P CB 1.171 32.863 31.700 -0.013 0.000 0.927 675 L N 1.823 122.899 121.223 -0.246 0.000 2.354 675 L HA 0.297 4.636 4.340 -0.001 0.000 0.212 675 L C 0.407 176.941 176.870 -0.561 0.000 1.091 675 L CA 1.073 55.632 54.840 -0.469 0.000 0.828 675 L CB -0.323 41.286 42.059 -0.750 0.000 0.973 675 L HN 0.173 nan 8.230 nan 0.000 0.461 676 F N -0.787 119.074 119.950 -0.149 0.000 2.483 676 F HA 0.349 4.875 4.527 -0.001 0.000 0.329 676 F C 1.542 177.297 175.800 -0.076 0.000 1.064 676 F CA -0.683 57.247 58.000 -0.116 0.000 0.986 676 F CB 0.906 39.818 39.000 -0.145 0.000 1.218 676 F HN -0.339 nan 8.300 nan 0.000 0.484 677 K N 0.184 120.681 120.400 0.163 0.000 2.283 677 K HA -0.046 4.274 4.320 -0.001 0.000 0.202 677 K C 0.222 176.864 176.600 0.070 0.000 1.048 677 K CA 1.128 57.466 56.287 0.084 0.000 0.948 677 K CB 0.210 32.753 32.500 0.071 0.000 0.742 677 K HN 0.356 nan 8.250 nan 0.000 0.458 678 K N -0.194 120.255 120.400 0.081 0.000 2.543 678 K HA 0.452 4.772 4.320 -0.001 0.000 0.255 678 K C -2.131 174.435 176.600 -0.057 0.000 0.934 678 K CA -0.482 55.813 56.287 0.013 0.000 0.810 678 K CB 2.120 34.624 32.500 0.006 0.000 1.315 678 K HN -0.025 nan 8.250 nan 0.000 0.433 679 A N 2.160 124.927 122.820 -0.089 0.000 2.422 679 A HA 0.648 4.968 4.320 -0.001 0.000 0.302 679 A C -1.208 176.274 177.584 -0.171 0.000 1.041 679 A CA -0.584 51.346 52.037 -0.178 0.000 0.708 679 A CB 1.852 20.745 19.000 -0.178 0.000 1.257 679 A HN 0.519 nan 8.150 nan 0.000 0.414 680 T N 3.154 117.566 114.554 -0.237 0.000 2.809 680 T HA 0.544 4.894 4.350 -0.001 0.000 0.284 680 T C -0.461 173.915 174.700 -0.541 0.000 0.992 680 T CA -0.213 61.686 62.100 -0.335 0.000 0.957 680 T CB 0.567 69.254 68.868 -0.302 0.000 0.942 680 T HN 0.472 nan 8.240 nan 0.000 0.439 681 L N 4.273 125.148 121.223 -0.580 0.000 2.295 681 L HA 0.463 4.803 4.340 -0.001 0.000 0.285 681 L C 0.023 176.286 176.870 -1.012 0.000 1.035 681 L CA -0.985 53.402 54.840 -0.755 0.000 0.806 681 L CB 0.707 42.317 42.059 -0.748 0.000 1.214 681 L HN 0.574 nan 8.230 nan 0.000 0.426 682 H N 3.913 122.645 119.070 -0.563 0.000 2.623 682 H HA 0.331 4.887 4.556 -0.001 0.000 0.299 682 H C -0.487 174.562 175.328 -0.464 0.000 1.052 682 H CA -0.553 55.226 56.048 -0.449 0.000 1.231 682 H CB 0.734 30.355 29.762 -0.235 0.000 1.389 682 H HN 0.274 nan 8.280 nan 0.000 0.469 683 F N 0.861 120.770 119.950 -0.068 0.000 2.380 683 F HA 0.090 4.616 4.527 -0.000 0.000 0.325 683 F C 1.982 177.660 175.800 -0.203 0.000 1.136 683 F CA -0.469 57.404 58.000 -0.212 0.000 1.171 683 F CB 0.832 39.591 39.000 -0.402 0.000 1.230 683 F HN 0.476 nan 8.300 nan 0.000 0.554 684 E N 0.426 120.607 120.200 -0.032 0.000 2.268 684 E HA -0.206 4.143 4.350 -0.001 0.000 0.195 684 E C 1.247 177.800 176.600 -0.079 0.000 0.995 684 E CA 1.136 57.508 56.400 -0.046 0.000 0.836 684 E CB -0.329 29.355 29.700 -0.026 0.000 0.763 684 E HN 0.680 nan 8.360 nan 0.000 0.491 685 N N -0.411 118.188 118.700 -0.168 0.000 2.515 685 N HA -0.029 4.710 4.740 -0.001 0.000 0.191 685 N C 1.196 176.668 175.510 -0.064 0.000 1.182 685 N CA 0.414 53.376 53.050 -0.147 0.000 0.879 685 N CB 0.364 38.692 38.487 -0.266 0.000 0.984 685 N HN 0.112 nan 8.380 nan 0.000 0.453 686 G N 0.133 108.918 108.800 -0.025 0.000 2.179 686 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.260 686 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.260 686 G C -0.252 174.670 174.900 0.037 0.000 0.977 686 G CA -0.019 45.083 45.100 0.003 0.000 0.641 686 G HN 0.455 nan 8.290 nan 0.000 0.533 687 N N 0.427 119.170 118.700 0.071 0.000 2.493 687 N HA 0.691 5.431 4.740 -0.001 0.000 0.275 687 N C -0.208 175.419 175.510 0.195 0.000 1.186 687 N CA 0.178 53.309 53.050 0.136 0.000 0.978 687 N CB 1.491 40.068 38.487 0.150 0.000 1.184 687 N HN 0.203 nan 8.380 nan 0.000 0.487 688 S N 0.225 116.014 115.700 0.149 0.000 2.570 688 S HA 0.603 5.073 4.470 -0.001 0.000 0.286 688 S C -1.183 173.440 174.600 0.038 0.000 1.099 688 S CA -0.602 57.596 58.200 -0.004 0.000 0.913 688 S CB 1.849 65.087 63.200 0.064 0.000 1.085 688 S HN 0.411 nan 8.310 nan 0.000 0.480 689 L N 2.747 123.905 121.223 -0.108 0.000 2.381 689 L HA 0.718 5.058 4.340 -0.001 0.000 0.274 689 L C -1.390 175.422 176.870 -0.097 0.000 0.988 689 L CA -0.441 54.403 54.840 0.007 0.000 0.824 689 L CB 1.566 43.716 42.059 0.153 0.000 1.263 689 L HN 0.459 nan 8.230 nan 0.000 0.410 690 V N 6.513 126.398 119.914 -0.048 0.000 2.394 690 V HA 0.438 4.558 4.120 -0.001 0.000 0.282 690 V C 0.120 176.181 176.094 -0.055 0.000 1.031 690 V CA -0.323 61.940 62.300 -0.063 0.000 0.881 690 V CB 1.521 33.326 31.823 -0.030 0.000 0.982 690 V HN 0.587 nan 8.190 nan 0.000 0.451 691 I N 4.029 124.565 120.570 -0.056 0.000 2.330 691 I HA 0.336 4.506 4.170 -0.001 0.000 0.286 691 I C -0.473 175.631 176.117 -0.023 0.000 1.025 691 I CA -0.142 61.135 61.300 -0.039 0.000 1.197 691 I CB 1.104 39.102 38.000 -0.004 0.000 1.358 691 I HN 0.571 nan 8.210 nan 0.000 0.467 692 D N 5.665 126.054 120.400 -0.017 0.000 2.349 692 D HA 0.594 5.234 4.640 -0.001 0.000 0.232 692 D C -0.231 176.073 176.300 0.006 0.000 1.071 692 D CA -0.161 53.838 54.000 -0.002 0.000 0.832 692 D CB 1.420 42.222 40.800 0.002 0.000 1.086 692 D HN 0.614 nan 8.370 nan 0.000 0.504 693 A N 4.827 127.656 122.820 0.014 0.000 3.355 693 A HA 0.332 4.652 4.320 -0.001 0.000 0.290 693 A C -1.925 175.669 177.584 0.017 0.000 0.973 693 A CA -0.841 51.205 52.037 0.015 0.000 0.933 693 A CB 0.618 19.627 19.000 0.015 0.000 1.138 693 A HN 0.436 nan 8.150 nan 0.000 0.490 694 P HA -0.128 nan 4.420 nan 0.000 0.220 694 P C 0.736 178.043 177.300 0.011 0.000 1.148 694 P CA 1.160 64.270 63.100 0.017 0.000 0.803 694 P CB 0.225 31.934 31.700 0.015 0.000 0.782 695 N N -0.428 118.275 118.700 0.005 0.000 2.383 695 N HA -0.014 4.726 4.740 -0.001 0.000 0.192 695 N C 0.368 175.872 175.510 -0.009 0.000 1.141 695 N CA -0.183 52.866 53.050 -0.003 0.000 0.851 695 N CB -0.906 37.577 38.487 -0.006 0.000 0.976 695 N HN -0.095 nan 8.380 nan 0.000 0.465 696 N N 0.467 119.163 118.700 -0.006 0.000 2.407 696 N HA -0.010 4.729 4.740 -0.001 0.000 0.250 696 N C -0.536 174.959 175.510 -0.025 0.000 1.236 696 N CA 0.481 53.520 53.050 -0.018 0.000 0.879 696 N CB 0.516 38.991 38.487 -0.020 0.000 1.088 696 N HN 0.371 nan 8.380 nan 0.000 0.450 697 S N 0.172 115.853 115.700 -0.032 0.000 2.661 697 S HA 0.278 4.747 4.470 -0.001 0.000 0.268 697 S C 0.853 175.440 174.600 -0.023 0.000 1.162 697 S CA -0.479 57.702 58.200 -0.031 0.000 0.817 697 S CB 0.441 63.627 63.200 -0.023 0.000 1.141 697 S HN 0.375 nan 8.310 nan 0.000 0.477 698 T N 1.382 115.922 114.554 -0.023 0.000 2.803 698 T HA -0.050 4.299 4.350 -0.001 0.000 0.269 698 T C 1.164 175.909 174.700 0.075 0.000 1.052 698 T CA 2.292 64.387 62.100 -0.008 0.000 1.136 698 T CB -0.482 68.373 68.868 -0.022 0.000 0.864 698 T HN 0.688 nan 8.240 nan 0.000 0.467 699 E N 1.031 121.261 120.200 0.050 0.000 2.190 699 E HA 0.117 4.466 4.350 -0.001 0.000 0.191 699 E C 0.561 177.102 176.600 -0.098 0.000 0.978 699 E CA 0.347 56.777 56.400 0.049 0.000 0.839 699 E CB -0.020 29.680 29.700 -0.001 0.000 0.787 699 E HN 0.521 nan 8.360 nan 0.000 0.473 700 N N 0.944 119.590 118.700 -0.090 0.000 3.083 700 N HA 0.123 4.863 4.740 -0.001 0.000 0.260 700 N C -0.635 174.784 175.510 -0.153 0.000 1.163 700 N CA -0.249 52.698 53.050 -0.172 0.000 1.060 700 N CB 0.199 38.637 38.487 -0.081 0.000 1.345 700 N HN 0.141 nan 8.380 nan 0.000 0.515 701 F N -1.654 118.188 119.950 -0.181 0.000 2.682 701 F HA 0.426 4.952 4.527 -0.001 0.000 0.308 701 F C -0.459 175.164 175.800 -0.295 0.000 1.093 701 F CA -0.926 56.911 58.000 -0.270 0.000 1.244 701 F CB -0.333 38.436 39.000 -0.384 0.000 1.052 701 F HN 0.027 nan 8.300 nan 0.000 0.573 702 Y N 1.841 122.001 120.300 -0.235 0.000 2.320 702 Y HA 0.507 5.057 4.550 -0.001 0.000 0.324 702 Y C 0.431 176.320 175.900 -0.018 0.000 1.190 702 Y CA -1.642 56.417 58.100 -0.068 0.000 1.215 702 Y CB 1.017 39.384 38.460 -0.155 0.000 1.221 702 Y HN -0.109 nan 8.280 nan 0.000 0.486 703 I N 2.649 123.354 120.570 0.225 0.000 2.301 703 I HA 0.037 4.207 4.170 -0.001 0.000 0.292 703 I C 0.499 176.689 176.117 0.122 0.000 1.046 703 I CA 0.157 61.544 61.300 0.146 0.000 1.282 703 I CB 0.981 39.072 38.000 0.152 0.000 1.409 703 I HN 0.739 nan 8.210 nan 0.000 0.484 704 D N 4.053 124.495 120.400 0.070 0.000 2.137 704 D HA -0.060 4.580 4.640 -0.001 0.000 0.202 704 D C 0.652 176.976 176.300 0.040 0.000 0.970 704 D CA 0.881 54.900 54.000 0.031 0.000 0.837 704 D CB 0.530 41.330 40.800 0.001 0.000 0.981 704 D HN 0.602 nan 8.370 nan 0.000 0.475 708 F N 2.461 122.401 119.950 -0.017 0.000 2.500 708 F HA 0.528 5.055 4.527 -0.001 0.000 0.349 708 F C 0.247 176.035 175.800 -0.019 0.000 1.127 708 F CA -1.293 56.663 58.000 -0.072 0.000 0.998 708 F CB 0.093 38.987 39.000 -0.176 0.000 1.237 708 F HN 0.961 nan 8.300 nan 0.000 0.439 709 N N 3.893 122.812 118.700 0.365 0.000 2.714 709 N HA -0.199 4.540 4.740 -0.001 0.000 0.252 709 N C 1.072 176.639 175.510 0.096 0.000 1.014 709 N CA 0.879 54.027 53.050 0.164 0.000 0.735 709 N CB -0.927 37.606 38.487 0.076 0.000 0.924 709 N HN 1.179 nan 8.380 nan 0.000 0.540 710 G N -1.738 107.124 108.800 0.103 0.000 2.267 710 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.257 710 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.257 710 G C 0.289 175.232 174.900 0.073 0.000 0.998 710 G CA 0.415 45.558 45.100 0.072 0.000 0.620 710 G HN 1.060 nan 8.290 nan 0.000 0.529 711 A N 0.414 123.286 122.820 0.086 0.000 2.362 711 A HA 0.555 4.875 4.320 -0.001 0.000 0.276 711 A C 0.213 177.872 177.584 0.125 0.000 1.153 711 A CA 0.567 52.653 52.037 0.081 0.000 0.813 711 A CB 0.389 19.423 19.000 0.057 0.000 1.081 711 A HN 0.561 nan 8.150 nan 0.000 0.507 712 D N 1.174 121.630 120.400 0.094 0.000 2.487 712 D HA 0.003 4.642 4.640 -0.001 0.000 0.243 712 D C -0.115 176.269 176.300 0.140 0.000 1.154 712 D CA 1.162 55.224 54.000 0.102 0.000 0.876 712 D CB 0.127 40.962 40.800 0.059 0.000 1.161 712 D HN 0.515 nan 8.370 nan 0.000 0.478 713 H N 3.149 122.252 119.070 0.055 0.000 2.866 713 H HA 0.193 4.749 4.556 -0.001 0.000 0.287 713 H C 0.174 175.522 175.328 0.034 0.000 1.106 713 H CA -0.230 55.847 56.048 0.049 0.000 1.396 713 H CB 0.781 30.599 29.762 0.094 0.000 1.469 713 H HN 0.496 nan 8.280 nan 0.000 0.500 714 T N 0.788 115.252 114.554 -0.150 0.000 3.060 714 T HA 0.186 4.535 4.350 -0.001 0.000 0.249 714 T C 0.741 175.370 174.700 -0.119 0.000 1.079 714 T CA -0.291 61.773 62.100 -0.060 0.000 1.013 714 T CB 0.661 69.514 68.868 -0.024 0.000 0.975 714 T HN 0.322 nan 8.240 nan 0.000 0.518 715 K N 1.913 122.081 120.400 -0.386 0.000 2.319 715 K HA 0.196 4.515 4.320 -0.001 0.000 0.265 715 K C 0.114 176.657 176.600 -0.094 0.000 1.000 715 K CA 0.038 56.129 56.287 -0.326 0.000 0.943 715 K CB 0.279 32.343 32.500 -0.726 0.000 0.950 715 K HN 0.244 nan 8.250 nan 0.000 0.485 716 N N 1.038 119.788 118.700 0.083 0.000 2.322 716 N HA 0.047 4.787 4.740 -0.001 0.000 0.216 716 N C -1.260 174.426 175.510 0.294 0.000 1.144 716 N CA -0.188 52.970 53.050 0.180 0.000 0.830 716 N CB 0.098 38.668 38.487 0.138 0.000 1.034 716 N HN 0.407 nan 8.380 nan 0.000 0.484 717 Y N -1.989 118.400 120.300 0.149 0.000 2.625 717 Y HA 0.635 5.185 4.550 -0.000 0.000 0.338 717 Y C -1.658 174.396 175.900 0.258 0.000 1.123 717 Y CA -1.528 56.674 58.100 0.169 0.000 1.046 717 Y CB 0.983 39.497 38.460 0.091 0.000 1.299 717 Y HN -0.302 nan 8.280 nan 0.000 0.464 718 L N 2.751 124.125 121.223 0.251 0.000 2.354 718 L HA 0.693 5.033 4.340 -0.001 0.000 0.269 718 L C -0.470 176.589 176.870 0.315 0.000 1.005 718 L CA -1.180 53.752 54.840 0.153 0.000 0.819 718 L CB 2.328 44.309 42.059 -0.129 0.000 1.311 718 L HN 0.683 nan 8.230 nan 0.000 0.423 719 R N -0.161 120.507 120.500 0.280 0.000 2.368 719 R HA 0.224 4.564 4.340 -0.001 0.000 0.302 719 R C 0.480 176.904 176.300 0.207 0.000 1.002 719 R CA -0.740 55.516 56.100 0.261 0.000 0.929 719 R CB 1.524 31.953 30.300 0.215 0.000 1.073 719 R HN 0.547 nan 8.270 nan 0.000 0.464 720 H N 2.314 121.449 119.070 0.109 0.000 2.321 720 H HA -0.217 4.339 4.556 -0.001 0.000 0.295 720 H C 0.928 176.110 175.328 -0.244 0.000 1.102 720 H CA 2.502 58.526 56.048 -0.040 0.000 1.266 720 H CB 0.466 30.140 29.762 -0.146 0.000 1.363 720 H HN 0.661 nan 8.280 nan 0.000 0.492 721 E N 0.021 120.204 120.200 -0.030 0.000 2.110 721 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 721 E C 1.913 178.492 176.600 -0.035 0.000 0.988 721 E CA 1.372 57.743 56.400 -0.048 0.000 0.804 721 E CB -0.043 29.671 29.700 0.023 0.000 0.745 721 E HN 0.603 nan 8.360 nan 0.000 0.458 722 D N 0.253 120.654 120.400 0.002 0.000 2.117 722 D HA -0.101 4.539 4.640 -0.001 0.000 0.198 722 D C 2.019 178.400 176.300 0.134 0.000 0.982 722 D CA 0.719 54.728 54.000 0.015 0.000 0.828 722 D CB -0.224 40.580 40.800 0.007 0.000 0.967 722 D HN 0.164 nan 8.370 nan 0.000 0.464 723 L N -0.087 121.187 121.223 0.085 0.000 2.012 723 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 723 L C 2.406 179.229 176.870 -0.078 0.000 1.073 723 L CA 0.889 55.747 54.840 0.031 0.000 0.748 723 L CB -0.513 41.426 42.059 -0.200 0.000 0.891 723 L HN -0.032 nan 8.230 nan 0.000 0.431 724 F N 0.928 120.535 119.950 -0.571 0.000 2.333 724 F HA -0.169 4.357 4.527 -0.001 0.000 0.300 724 F C 2.366 178.025 175.800 -0.234 0.000 1.083 724 F CA 1.037 58.635 58.000 -0.670 0.000 1.395 724 F CB -0.656 38.019 39.000 -0.541 0.000 1.056 724 F HN 0.065 nan 8.300 nan 0.000 0.529 725 K N -0.248 120.195 120.400 0.071 0.000 2.288 725 K HA 0.206 4.526 4.320 -0.001 0.000 0.201 725 K C 1.202 177.870 176.600 0.114 0.000 1.048 725 K CA 0.606 56.933 56.287 0.067 0.000 0.956 725 K CB -0.378 32.137 32.500 0.025 0.000 0.746 725 K HN 0.332 nan 8.250 nan 0.000 0.461 726 G N -0.025 108.896 108.800 0.201 0.000 2.728 726 G HA2 0.136 4.096 3.960 -0.001 0.000 0.294 726 G HA3 0.136 4.096 3.960 -0.001 0.000 0.294 726 G C 0.096 175.129 174.900 0.221 0.000 1.342 726 G CA -0.545 44.703 45.100 0.247 0.000 0.866 726 G HN 0.612 nan 8.290 nan 0.000 0.534 727 G N -2.619 106.289 108.800 0.180 0.000 2.297 727 G HA2 0.568 4.528 3.960 -0.001 0.000 0.209 727 G HA3 0.568 4.528 3.960 -0.001 0.000 0.209 727 G C -0.358 174.628 174.900 0.145 0.000 1.267 727 G CA 0.525 45.725 45.100 0.168 0.000 1.127 727 G HN 2.237 nan 8.290 nan 0.000 0.498 728 T N 0.643 115.293 114.554 0.160 0.000 2.881 728 T HA 0.655 5.004 4.350 -0.001 0.000 0.290 728 T C -0.206 174.522 174.700 0.047 0.000 1.000 728 T CA -0.279 61.866 62.100 0.075 0.000 0.978 728 T CB 1.487 70.391 68.868 0.060 0.000 0.997 728 T HN 0.611 nan 8.240 nan 0.000 0.443 729 I N 2.893 123.403 120.570 -0.101 0.000 2.354 729 I HA 0.475 4.645 4.170 -0.001 0.000 0.292 729 I C -0.103 175.966 176.117 -0.079 0.000 0.989 729 I CA -0.936 60.245 61.300 -0.200 0.000 1.188 729 I CB 1.760 39.500 38.000 -0.434 0.000 1.342 729 I HN 0.365 nan 8.210 nan 0.000 0.457 730 K N 6.237 126.618 120.400 -0.033 0.000 2.307 730 K HA 0.569 4.889 4.320 -0.001 0.000 0.263 730 K C -1.536 175.067 176.600 0.005 0.000 0.973 730 K CA -0.413 55.873 56.287 -0.002 0.000 0.846 730 K CB 1.440 33.953 32.500 0.022 0.000 1.100 730 K HN 0.368 nan 8.250 nan 0.000 0.438 731 V N 4.304 124.224 119.914 0.009 0.000 2.378 731 V HA 0.312 4.432 4.120 -0.001 0.000 0.288 731 V C -0.368 175.741 176.094 0.026 0.000 1.016 731 V CA -0.976 61.339 62.300 0.024 0.000 0.840 731 V CB 1.280 33.120 31.823 0.028 0.000 0.994 731 V HN 0.831 nan 8.190 nan 0.000 0.431 735 N N 0.630 119.270 118.700 -0.100 0.000 2.336 735 N HA 0.208 4.948 4.740 -0.001 0.000 0.189 735 N C 0.191 175.667 175.510 -0.057 0.000 1.113 735 N CA 0.456 53.419 53.050 -0.145 0.000 0.858 735 N CB -0.300 38.118 38.487 -0.116 0.000 0.970 735 N HN 0.803 nan 8.380 nan 0.000 0.471 736 R N 1.079 121.515 120.500 -0.107 0.000 2.670 736 R HA 0.596 4.936 4.340 -0.001 0.000 0.289 736 R C -3.019 172.896 176.300 -0.642 0.000 0.965 736 R CA -1.907 54.000 56.100 -0.321 0.000 0.899 736 R CB 0.090 30.248 30.300 -0.237 0.000 1.173 736 R HN 0.195 nan 8.270 nan 0.000 0.456 737 P HA 0.095 nan 4.420 nan 0.000 0.271 737 P C -1.057 175.890 177.300 -0.588 0.000 1.216 737 P CA -0.452 61.997 63.100 -1.085 0.000 0.776 737 P CB 0.858 31.894 31.700 -1.106 0.000 0.881 738 N N 3.118 121.597 118.700 -0.368 0.000 2.500 738 N HA 0.066 4.806 4.740 -0.001 0.000 0.236 738 N C 0.568 175.814 175.510 -0.440 0.000 1.022 738 N CA -0.279 52.596 53.050 -0.292 0.000 0.935 738 N CB -0.115 38.308 38.487 -0.107 0.000 1.147 738 N HN 0.111 nan 8.380 nan 0.000 0.512 739 L N 3.060 123.881 121.223 -0.670 0.000 2.622 739 L HA 0.126 4.466 4.340 -0.001 0.000 0.233 739 L C 1.352 177.927 176.870 -0.493 0.000 1.156 739 L CA 0.662 54.855 54.840 -1.077 0.000 0.866 739 L CB -0.511 41.035 42.059 -0.854 0.000 0.980 739 L HN 0.557 nan 8.230 nan 0.000 0.448 740 N N -1.049 117.531 118.700 -0.201 0.000 2.348 740 N HA 0.039 4.779 4.740 -0.001 0.000 0.183 740 N C 0.886 176.441 175.510 0.076 0.000 1.094 740 N CA -0.037 52.996 53.050 -0.028 0.000 0.885 740 N CB 0.641 39.100 38.487 -0.046 0.000 1.065 740 N HN 0.234 nan 8.380 nan 0.000 0.472 741 R N 0.874 121.427 120.500 0.090 0.000 2.389 741 R HA 0.285 4.624 4.340 -0.001 0.000 0.295 741 R C 0.512 176.933 176.300 0.202 0.000 1.075 741 R CA 0.880 57.053 56.100 0.123 0.000 1.005 741 R CB 0.177 30.541 30.300 0.106 0.000 0.987 741 R HN 0.235 nan 8.270 nan 0.000 0.452 742 G N 2.675 111.561 108.800 0.144 0.000 2.149 742 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.235 742 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.235 742 G C 0.465 175.449 174.900 0.141 0.000 1.018 742 G CA 0.589 45.770 45.100 0.136 0.000 0.728 742 G HN 0.766 nan 8.290 nan 0.000 0.508 743 T N -3.205 111.437 114.554 0.147 0.000 3.023 743 T HA 0.432 4.782 4.350 -0.001 0.000 0.253 743 T C 1.037 175.794 174.700 0.094 0.000 1.038 743 T CA 0.853 63.040 62.100 0.145 0.000 0.962 743 T CB 0.656 69.643 68.868 0.198 0.000 1.018 743 T HN 0.408 nan 8.240 nan 0.000 0.521 744 K N 1.785 122.229 120.400 0.073 0.000 2.168 744 K HA 0.281 4.601 4.320 -0.001 0.000 0.258 744 K C 1.306 177.934 176.600 0.047 0.000 1.010 744 K CA -0.585 55.734 56.287 0.053 0.000 0.929 744 K CB 1.031 33.556 32.500 0.042 0.000 0.998 744 K HN 0.251 nan 8.250 nan 0.000 0.479 745 E N 1.761 121.984 120.200 0.038 0.000 2.086 745 E HA -0.274 4.076 4.350 -0.001 0.000 0.200 745 E C 2.326 178.951 176.600 0.042 0.000 1.012 745 E CA 2.403 58.822 56.400 0.032 0.000 0.812 745 E CB -0.023 29.692 29.700 0.024 0.000 0.743 745 E HN 0.770 nan 8.360 nan 0.000 0.453 746 E N 1.250 121.478 120.200 0.047 0.000 2.418 746 E HA -0.093 4.256 4.350 -0.001 0.000 0.197 746 E C 0.726 177.385 176.600 0.099 0.000 1.026 746 E CA 0.868 57.308 56.400 0.066 0.000 0.862 746 E CB -0.279 29.449 29.700 0.046 0.000 0.799 746 E HN 0.226 nan 8.360 nan 0.000 0.518 750 Y N 1.173 121.322 120.300 -0.252 0.000 2.620 750 Y HA 0.459 5.009 4.550 -0.001 0.000 0.330 750 Y C -0.312 175.648 175.900 0.101 0.000 1.186 750 Y CA 1.122 59.194 58.100 -0.047 0.000 1.467 750 Y CB 0.373 38.825 38.460 -0.012 0.000 1.262 750 Y HN 0.232 nan 8.280 nan 0.000 0.550 751 S N 7.397 122.741 115.700 -0.594 0.000 2.538 751 S HA 0.178 4.647 4.470 -0.001 0.000 0.288 751 S C 0.112 174.271 174.600 -0.735 0.000 1.108 751 S CA -0.803 57.085 58.200 -0.520 0.000 0.971 751 S CB 1.073 64.147 63.200 -0.210 0.000 1.041 751 S HN 0.761 nan 8.310 nan 0.000 0.483 752 F N 3.178 122.795 119.950 -0.556 0.000 2.161 752 F HA -0.097 4.429 4.527 -0.001 0.000 0.300 752 F C 2.241 177.982 175.800 -0.098 0.000 1.089 752 F CA 1.550 59.464 58.000 -0.143 0.000 1.282 752 F CB -0.767 38.322 39.000 0.147 0.000 1.010 752 F HN 0.558 nan 8.300 nan 0.000 0.485 753 S N 0.092 115.692 115.700 -0.166 0.000 2.400 753 S HA -0.196 4.273 4.470 -0.001 0.000 0.232 753 S C 1.941 176.425 174.600 -0.194 0.000 1.025 753 S CA 1.472 59.538 58.200 -0.223 0.000 0.993 753 S CB -0.196 62.923 63.200 -0.135 0.000 0.808 753 S HN 0.456 nan 8.310 nan 0.000 0.478 754 K N 0.874 121.168 120.400 -0.177 0.000 2.067 754 K HA 0.106 4.425 4.320 -0.001 0.000 0.203 754 K C 1.154 177.706 176.600 -0.079 0.000 1.048 754 K CA 0.123 56.335 56.287 -0.124 0.000 0.954 754 K CB -0.080 32.346 32.500 -0.124 0.000 0.737 754 K HN 0.351 nan 8.250 nan 0.000 0.444 755 E N 0.000 120.158 120.200 -0.070 0.000 2.725 755 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 755 E CA 0.000 56.464 56.400 0.107 0.000 0.976 755 E CB 0.000 29.922 29.700 0.370 0.000 0.812 755 E HN 0.000 nan 8.360 nan 0.000 0.440