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 1x7u_1_B DATA FIRST_RESID 35 DATA SEQUENCE NGTSNRDWWP NQLDLSILHR HSSLSDPMGK DFNYAQAFEK LDLAAVKRDL DATA SEQUENCE HALMTTSQDW WPADFGHYGG LFIRMAWHSA GTYRTADGRG GAGEGQQRFA DATA SEQUENCE PLNSWPDNAN LDKARRLLWP IKQKYGRAIS WADLLILTGN VALESMGFKT DATA SEQUENCE FGFAGGRADT WEPEDVYWGS EKIWLELSGG PNSRYSGDRQ LENPLAAVQM DATA SEQUENCE GLIYVNPEGP DGNPDPVAAA RDIRDTFARM AMNDEETVAL IAGGHTFGKT DATA SEQUENCE HGAGPASNVG AEPEAAGIEA QGLGWKSAYR TGKGADAITT GLEVTWTTTP DATA SEQUENCE TQWSHNFFEN LFGYEWELTK SPAGAHQWVA KGADAVIPDA FDPSKKHRPT DATA SEQUENCE MLTTDLSLRF DPAYEKISRR FHENPEQFAD AFARAWFKLT HRDMGPRARY DATA SEQUENCE LGPEVPAEVL LWQDPIPAVD HPLIDAADAA ELKAKVLASG LTVSQLVSTA DATA SEQUENCE WAAASTFRGS DKRGGANGAR IRLAPQKDWE ANQPEQLAAV LETLEAIRTA DATA SEQUENCE FNGAQRGGKQ VSLADLIVLA GCAGVEQAAK NAGHAVTVPF APGRADASQE DATA SEQUENCE QTDVESMAVL EPVADGFRNY LKGKYRVPAE VLLVDKAQLL TLSAPEMTVL DATA SEQUENCE LGGLRVLGAN VGQSRHGVFT AREQALTNDF FVNLLDMGTE WKPTAADADV DATA SEQUENCE FEGRDRATGE LKWTGTRVDL VFGSHSQLRA LAEVYGSADA QEKFVRDFVA DATA SEQUENCE VWNKVMNLDR FDLA 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 35 N HA 0.000 nan 4.740 nan 0.000 0.220 35 N C 0.000 175.479 175.510 -0.052 0.000 1.280 35 N CA 0.000 53.026 53.050 -0.041 0.000 0.885 35 N CB 0.000 38.470 38.487 -0.028 0.000 1.341 36 G N 0.215 108.992 108.800 -0.039 0.000 2.313 36 G HA2 0.353 4.316 3.960 0.005 0.000 0.250 36 G HA3 0.353 4.316 3.960 0.005 0.000 0.250 36 G C -0.365 174.489 174.900 -0.077 0.000 1.281 36 G CA 0.229 45.309 45.100 -0.034 0.000 0.917 36 G HN 0.492 nan 8.290 nan 0.000 0.501 37 T N 1.491 115.981 114.554 -0.105 0.000 2.901 37 T HA 0.414 4.767 4.350 0.005 0.000 0.301 37 T C 0.897 175.491 174.700 -0.175 0.000 1.012 37 T CA 0.123 62.067 62.100 -0.260 0.000 1.135 37 T CB 1.034 69.654 68.868 -0.414 0.000 0.936 37 T HN 0.837 nan 8.240 nan 0.000 0.539 38 S N 2.309 117.858 115.700 -0.251 0.000 2.677 38 S HA 0.394 4.867 4.470 0.005 0.000 0.304 38 S C 1.030 175.625 174.600 -0.009 0.000 1.108 38 S CA -0.943 57.221 58.200 -0.061 0.000 0.944 38 S CB 1.218 64.400 63.200 -0.031 0.000 1.127 38 S HN 0.469 nan 8.310 nan 0.000 0.511 39 N N 1.046 119.876 118.700 0.215 0.000 2.149 39 N HA -0.098 4.645 4.740 0.005 0.000 0.188 39 N C 1.633 177.313 175.510 0.284 0.000 1.019 39 N CA 1.216 54.519 53.050 0.421 0.000 0.857 39 N CB -0.703 38.053 38.487 0.449 0.000 0.997 39 N HN 0.645 nan 8.380 nan 0.000 0.426 40 R N 1.044 121.626 120.500 0.135 0.000 2.091 40 R HA -0.088 4.255 4.340 0.005 0.000 0.238 40 R C 1.238 177.520 176.300 -0.030 0.000 1.136 40 R CA 1.410 57.554 56.100 0.075 0.000 0.959 40 R CB -0.211 30.113 30.300 0.039 0.000 0.856 40 R HN 0.224 nan 8.270 nan 0.000 0.437 41 D N -1.013 119.284 120.400 -0.172 0.000 2.087 41 D HA -0.211 4.432 4.640 0.005 0.000 0.192 41 D C 1.805 177.876 176.300 -0.381 0.000 0.993 41 D CA 1.457 55.252 54.000 -0.342 0.000 0.828 41 D CB -0.573 39.886 40.800 -0.569 0.000 0.968 41 D HN 0.356 nan 8.370 nan 0.000 0.448 42 W N -0.330 120.707 121.300 -0.439 0.000 2.363 42 W HA -0.071 4.592 4.660 0.005 0.000 0.296 42 W C 0.669 176.585 176.519 -1.005 0.000 1.212 42 W CA 0.129 56.893 57.345 -0.969 0.000 1.260 42 W CB 0.073 28.380 29.460 -1.923 0.000 1.131 42 W HN -0.011 nan 8.180 nan 0.000 0.530 43 W N 0.569 121.994 121.300 0.209 0.000 2.036 43 W HA 0.222 4.885 4.660 0.005 0.000 0.294 43 W C -2.048 174.513 176.519 0.071 0.000 0.948 43 W CA -1.652 55.765 57.345 0.120 0.000 1.774 43 W CB -0.220 29.297 29.460 0.095 0.000 1.950 43 W HN -0.183 nan 8.180 nan 0.000 0.384 44 P HA -0.089 nan 4.420 nan 0.000 0.229 44 P C 0.739 178.099 177.300 0.101 0.000 1.160 44 P CA 1.243 64.399 63.100 0.093 0.000 0.777 44 P CB 0.468 32.188 31.700 0.032 0.000 0.814 45 N N -0.595 118.179 118.700 0.124 0.000 2.230 45 N HA 0.046 4.789 4.740 0.005 0.000 0.202 45 N C 0.837 176.404 175.510 0.096 0.000 1.119 45 N CA 0.037 53.142 53.050 0.091 0.000 0.851 45 N CB 0.277 38.811 38.487 0.078 0.000 0.990 45 N HN 0.263 nan 8.380 nan 0.000 0.497 46 Q N 0.506 120.388 119.800 0.137 0.000 2.500 46 Q HA 0.230 4.572 4.340 0.005 0.000 0.215 46 Q C -0.491 175.575 176.000 0.110 0.000 1.062 46 Q CA -0.384 55.493 55.803 0.123 0.000 0.996 46 Q CB 0.553 29.372 28.738 0.136 0.000 1.239 46 Q HN 0.012 nan 8.270 nan 0.000 0.578 47 L N 1.969 123.276 121.223 0.140 0.000 2.380 47 L HA 0.184 4.527 4.340 0.005 0.000 0.273 47 L C -0.882 176.050 176.870 0.104 0.000 1.138 47 L CA 0.610 55.490 54.840 0.066 0.000 0.832 47 L CB 0.924 42.955 42.059 -0.046 0.000 1.124 47 L HN 0.682 nan 8.230 nan 0.000 0.454 48 D N 3.457 123.875 120.400 0.030 0.000 2.454 48 D HA 0.200 4.843 4.640 0.005 0.000 0.225 48 D C 0.752 177.039 176.300 -0.021 0.000 1.081 48 D CA -0.104 53.919 54.000 0.039 0.000 0.864 48 D CB 0.523 41.344 40.800 0.034 0.000 1.040 48 D HN 0.515 nan 8.370 nan 0.000 0.517 49 L N 2.340 123.558 121.223 -0.008 0.000 2.492 49 L HA -0.004 4.339 4.340 0.005 0.000 0.223 49 L C 1.956 178.768 176.870 -0.097 0.000 1.132 49 L CA 0.130 54.924 54.840 -0.076 0.000 0.850 49 L CB -0.066 41.987 42.059 -0.011 0.000 0.966 49 L HN 0.364 nan 8.230 nan 0.000 0.454 50 S N 0.815 116.520 115.700 0.009 0.000 2.400 50 S HA -0.180 4.293 4.470 0.005 0.000 0.232 50 S C 1.942 176.504 174.600 -0.063 0.000 1.025 50 S CA 1.430 59.653 58.200 0.037 0.000 0.993 50 S CB -0.267 62.972 63.200 0.066 0.000 0.808 50 S HN 0.579 nan 8.310 nan 0.000 0.478 51 I N -0.547 119.964 120.570 -0.098 0.000 2.700 51 I HA -0.088 4.085 4.170 0.005 0.000 0.261 51 I C 1.328 177.322 176.117 -0.204 0.000 1.219 51 I CA 1.412 62.636 61.300 -0.127 0.000 1.463 51 I CB -0.305 37.636 38.000 -0.099 0.000 1.092 51 I HN 0.196 nan 8.210 nan 0.000 0.452 52 L N 0.183 121.205 121.223 -0.334 0.000 2.558 52 L HA 0.056 4.399 4.340 0.005 0.000 0.225 52 L C 0.937 177.555 176.870 -0.421 0.000 1.128 52 L CA 0.545 55.133 54.840 -0.420 0.000 0.868 52 L CB -0.555 41.202 42.059 -0.504 0.000 1.006 52 L HN 0.375 nan 8.230 nan 0.000 0.454 53 H N -1.239 117.815 119.070 -0.027 0.000 2.510 53 H HA 0.267 4.826 4.556 0.005 0.000 0.266 53 H C 0.183 175.502 175.328 -0.014 0.000 1.146 53 H CA -0.651 55.394 56.048 -0.006 0.000 0.993 53 H CB 0.442 30.215 29.762 0.019 0.000 1.727 53 H HN 0.006 nan 8.280 nan 0.000 0.590 54 R N 0.526 121.006 120.500 -0.033 0.000 2.577 54 R HA 0.098 4.441 4.340 0.005 0.000 0.269 54 R C 0.101 176.430 176.300 0.049 0.000 1.084 54 R CA -0.397 55.673 56.100 -0.049 0.000 1.163 54 R CB 0.253 30.358 30.300 -0.326 0.000 1.100 54 R HN 0.548 nan 8.270 nan 0.000 0.547 55 H N -2.569 116.546 119.070 0.076 0.000 2.899 55 H HA -0.157 4.402 4.556 0.005 0.000 0.282 55 H C 0.075 175.470 175.328 0.111 0.000 1.198 55 H CA 0.224 56.335 56.048 0.106 0.000 1.140 55 H CB -2.438 27.384 29.762 0.100 0.000 1.317 55 H HN 0.644 nan 8.280 nan 0.000 0.375 56 S N -0.751 115.073 115.700 0.207 0.000 2.593 56 S HA 0.248 4.721 4.470 0.005 0.000 0.269 56 S C 1.860 176.531 174.600 0.118 0.000 1.334 56 S CA -0.041 58.244 58.200 0.141 0.000 1.015 56 S CB 1.822 65.085 63.200 0.105 0.000 0.912 56 S HN 0.566 nan 8.310 nan 0.000 0.541 57 S N 2.385 118.139 115.700 0.090 0.000 2.420 57 S HA -0.155 4.318 4.470 0.005 0.000 0.237 57 S C 1.696 176.316 174.600 0.032 0.000 1.023 57 S CA 1.304 59.542 58.200 0.063 0.000 0.991 57 S CB -1.039 62.192 63.200 0.051 0.000 0.792 57 S HN 0.701 nan 8.310 nan 0.000 0.488 58 L N 1.882 123.127 121.223 0.036 0.000 2.046 58 L HA -0.073 4.270 4.340 0.005 0.000 0.208 58 L C 3.014 179.885 176.870 0.001 0.000 1.077 58 L CA 1.599 56.448 54.840 0.015 0.000 0.747 58 L CB -0.852 41.220 42.059 0.022 0.000 0.896 58 L HN 0.604 nan 8.230 nan 0.000 0.432 59 S N -2.372 113.343 115.700 0.026 0.000 2.558 59 S HA -0.034 4.439 4.470 0.005 0.000 0.217 59 S C 0.659 175.235 174.600 -0.040 0.000 0.975 59 S CA -0.257 57.954 58.200 0.019 0.000 0.912 59 S CB -0.255 62.988 63.200 0.071 0.000 0.776 59 S HN 0.275 nan 8.310 nan 0.000 0.526 60 D N 3.048 123.401 120.400 -0.079 0.000 2.295 60 D HA 0.282 4.925 4.640 0.005 0.000 0.248 60 D C -1.449 174.604 176.300 -0.411 0.000 1.154 60 D CA -2.167 51.662 54.000 -0.285 0.000 0.857 60 D CB 1.791 42.556 40.800 -0.059 0.000 1.117 60 D HN 0.063 nan 8.370 nan 0.000 0.468 61 P HA 0.011 nan 4.420 nan 0.000 0.231 61 P C 0.375 177.431 177.300 -0.407 0.000 1.168 61 P CA 0.208 62.992 63.100 -0.527 0.000 0.779 61 P CB 0.270 31.564 31.700 -0.677 0.000 0.844 62 M N 0.321 119.668 119.600 -0.421 0.000 2.255 62 M HA 0.347 4.830 4.480 0.005 0.000 0.336 62 M C 1.283 177.533 176.300 -0.082 0.000 1.135 62 M CA -1.080 54.054 55.300 -0.277 0.000 1.145 62 M CB -0.221 32.209 32.600 -0.282 0.000 1.473 62 M HN -0.182 nan 8.290 nan 0.000 0.462 63 G N 1.589 110.378 108.800 -0.017 0.000 2.690 63 G HA2 0.051 4.014 3.960 0.005 0.000 0.239 63 G HA3 0.051 4.014 3.960 0.005 0.000 0.239 63 G C 0.592 175.562 174.900 0.118 0.000 1.233 63 G CA -0.333 44.798 45.100 0.052 0.000 0.847 63 G HN 0.779 nan 8.290 nan 0.000 0.588 64 K N -0.359 120.095 120.400 0.090 0.000 2.288 64 K HA 0.012 4.335 4.320 0.005 0.000 0.201 64 K C 1.388 178.059 176.600 0.119 0.000 1.048 64 K CA 1.068 57.415 56.287 0.099 0.000 0.956 64 K CB 0.284 32.824 32.500 0.066 0.000 0.746 64 K HN 0.369 nan 8.250 nan 0.000 0.461 65 D N -0.329 120.145 120.400 0.124 0.000 2.339 65 D HA -0.037 4.605 4.640 0.005 0.000 0.217 65 D C -0.233 176.165 176.300 0.162 0.000 1.050 65 D CA -0.056 54.013 54.000 0.116 0.000 0.856 65 D CB -0.114 40.739 40.800 0.087 0.000 0.922 65 D HN 0.037 nan 8.370 nan 0.000 0.518 66 F N 2.542 122.538 119.950 0.078 0.000 2.602 66 F HA 0.086 4.616 4.527 0.005 0.000 0.385 66 F C 0.420 176.301 175.800 0.134 0.000 1.063 66 F CA -0.313 57.751 58.000 0.106 0.000 1.233 66 F CB 0.312 39.386 39.000 0.122 0.000 1.067 66 F HN -0.260 nan 8.300 nan 0.000 0.564 67 N N 6.176 124.518 118.700 -0.596 0.000 2.524 67 N HA 0.023 4.766 4.740 0.005 0.000 0.261 67 N C 0.198 175.260 175.510 -0.747 0.000 0.998 67 N CA -0.448 52.306 53.050 -0.494 0.000 0.915 67 N CB 0.347 38.719 38.487 -0.191 0.000 1.187 67 N HN 0.762 nan 8.380 nan 0.000 0.507 68 Y N 4.595 124.445 120.300 -0.750 0.000 2.181 68 Y HA -0.052 4.501 4.550 0.005 0.000 0.288 68 Y C 2.002 177.830 175.900 -0.121 0.000 1.146 68 Y CA 2.249 60.081 58.100 -0.446 0.000 1.164 68 Y CB -0.303 38.110 38.460 -0.079 0.000 0.982 68 Y HN 0.639 nan 8.280 nan 0.000 0.515 69 A N 0.378 123.067 122.820 -0.219 0.000 1.917 69 A HA -0.316 4.007 4.320 0.005 0.000 0.219 69 A C 2.134 179.625 177.584 -0.155 0.000 1.182 69 A CA 2.279 54.201 52.037 -0.193 0.000 0.633 69 A CB -0.841 18.125 19.000 -0.056 0.000 0.819 69 A HN 0.696 nan 8.150 nan 0.000 0.448 70 Q N -1.004 118.709 119.800 -0.145 0.000 2.167 70 Q HA -0.046 4.297 4.340 0.005 0.000 0.202 70 Q C 2.427 178.380 176.000 -0.079 0.000 0.970 70 Q CA 1.157 56.907 55.803 -0.089 0.000 0.855 70 Q CB -0.342 28.354 28.738 -0.070 0.000 0.911 70 Q HN 0.712 nan 8.270 nan 0.000 0.438 71 A N 0.534 123.288 122.820 -0.111 0.000 1.898 71 A HA -0.173 4.150 4.320 0.005 0.000 0.216 71 A C 1.832 179.382 177.584 -0.057 0.000 1.181 71 A CA 0.975 53.012 52.037 0.000 0.000 0.620 71 A CB -0.709 18.411 19.000 0.201 0.000 0.819 71 A HN 0.439 nan 8.150 nan 0.000 0.442 72 F N 0.782 120.501 119.950 -0.384 0.000 2.186 72 F HA -0.097 4.433 4.527 0.005 0.000 0.299 72 F C 2.117 177.820 175.800 -0.162 0.000 1.090 72 F CA 1.789 59.588 58.000 -0.335 0.000 1.307 72 F CB 0.043 38.687 39.000 -0.592 0.000 1.019 72 F HN 0.180 nan 8.300 nan 0.000 0.489 73 E N 0.549 120.709 120.200 -0.066 0.000 2.333 73 E HA -0.167 4.186 4.350 0.005 0.000 0.198 73 E C 1.777 178.290 176.600 -0.145 0.000 1.007 73 E CA 0.955 57.306 56.400 -0.081 0.000 0.845 73 E CB -0.192 29.507 29.700 -0.003 0.000 0.766 73 E HN 0.509 nan 8.360 nan 0.000 0.507 74 K N 0.098 120.416 120.400 -0.137 0.000 2.367 74 K HA 0.067 4.390 4.320 0.005 0.000 0.194 74 K C 0.647 177.165 176.600 -0.137 0.000 1.027 74 K CA -0.345 55.880 56.287 -0.103 0.000 1.075 74 K CB 0.280 32.754 32.500 -0.043 0.000 0.845 74 K HN -0.048 nan 8.250 nan 0.000 0.529 75 L N 2.295 123.368 121.223 -0.249 0.000 2.490 75 L HA -0.010 4.332 4.340 0.005 0.000 0.274 75 L C -0.073 176.647 176.870 -0.249 0.000 1.201 75 L CA 0.387 55.070 54.840 -0.262 0.000 0.869 75 L CB 0.447 42.212 42.059 -0.491 0.000 1.123 75 L HN -0.019 nan 8.230 nan 0.000 0.484 76 D N 4.148 124.460 120.400 -0.147 0.000 2.455 76 D HA -0.012 4.631 4.640 0.005 0.000 0.234 76 D C 0.944 177.119 176.300 -0.209 0.000 1.224 76 D CA -0.027 53.898 54.000 -0.125 0.000 0.999 76 D CB 0.314 41.103 40.800 -0.019 0.000 1.072 76 D HN 0.639 nan 8.370 nan 0.000 0.514 77 L N 4.172 125.257 121.223 -0.231 0.000 2.093 77 L HA -0.038 4.304 4.340 0.005 0.000 0.208 77 L C 2.089 178.861 176.870 -0.164 0.000 1.085 77 L CA 1.895 56.596 54.840 -0.232 0.000 0.755 77 L CB -0.471 41.486 42.059 -0.170 0.000 0.904 77 L HN 0.381 nan 8.230 nan 0.000 0.435 78 A N -0.476 122.281 122.820 -0.105 0.000 1.908 78 A HA -0.138 4.185 4.320 0.005 0.000 0.218 78 A C 2.452 180.003 177.584 -0.055 0.000 1.181 78 A CA 1.809 53.809 52.037 -0.062 0.000 0.627 78 A CB -1.101 17.875 19.000 -0.040 0.000 0.818 78 A HN 0.556 nan 8.150 nan 0.000 0.445 79 A N -0.531 122.254 122.820 -0.058 0.000 1.898 79 A HA 0.033 4.356 4.320 0.005 0.000 0.216 79 A C 2.214 179.779 177.584 -0.032 0.000 1.181 79 A CA 1.696 53.736 52.037 0.006 0.000 0.620 79 A CB -0.936 18.123 19.000 0.098 0.000 0.819 79 A HN 0.414 nan 8.150 nan 0.000 0.442 80 V N 0.360 120.100 119.914 -0.290 0.000 2.287 80 V HA -0.311 3.812 4.120 0.005 0.000 0.248 80 V C 2.409 178.401 176.094 -0.169 0.000 1.053 80 V CA 2.430 64.473 62.300 -0.429 0.000 1.027 80 V CB -0.775 30.665 31.823 -0.639 0.000 0.646 80 V HN 0.544 nan 8.190 nan 0.000 0.447 81 K N -0.391 119.933 120.400 -0.128 0.000 2.147 81 K HA -0.125 4.198 4.320 0.005 0.000 0.205 81 K C 2.424 179.080 176.600 0.094 0.000 1.049 81 K CA 1.136 57.395 56.287 -0.047 0.000 0.936 81 K CB -0.221 32.268 32.500 -0.018 0.000 0.722 81 K HN 0.377 nan 8.250 nan 0.000 0.446 82 R N 0.867 121.413 120.500 0.076 0.000 2.081 82 R HA -0.122 4.221 4.340 0.005 0.000 0.235 82 R C 1.716 178.077 176.300 0.102 0.000 1.131 82 R CA 1.497 57.657 56.100 0.101 0.000 0.960 82 R CB -0.148 30.180 30.300 0.048 0.000 0.856 82 R HN 0.194 nan 8.270 nan 0.000 0.436 83 D N 0.661 121.106 120.400 0.075 0.000 2.117 83 D HA -0.135 4.508 4.640 0.005 0.000 0.197 83 D C 1.967 178.293 176.300 0.043 0.000 0.987 83 D CA 1.032 55.077 54.000 0.075 0.000 0.829 83 D CB -0.098 40.777 40.800 0.125 0.000 0.961 83 D HN 0.180 nan 8.370 nan 0.000 0.460 84 L N 0.175 121.392 121.223 -0.010 0.000 2.056 84 L HA -0.154 4.189 4.340 0.005 0.000 0.207 84 L C 2.514 179.350 176.870 -0.057 0.000 1.078 84 L CA 0.939 55.727 54.840 -0.087 0.000 0.749 84 L CB -0.448 41.494 42.059 -0.195 0.000 0.901 84 L HN 0.179 nan 8.230 nan 0.000 0.433 85 H N -0.146 118.915 119.070 -0.014 0.000 2.352 85 H HA -0.147 4.412 4.556 0.005 0.000 0.299 85 H C 2.265 177.599 175.328 0.011 0.000 1.097 85 H CA 1.646 57.698 56.048 0.007 0.000 1.311 85 H CB 0.046 29.812 29.762 0.008 0.000 1.377 85 H HN 0.375 nan 8.280 nan 0.000 0.504 86 A N 1.018 123.922 122.820 0.140 0.000 1.933 86 A HA -0.131 4.192 4.320 0.005 0.000 0.218 86 A C 2.496 180.131 177.584 0.085 0.000 1.175 86 A CA 1.240 53.331 52.037 0.089 0.000 0.628 86 A CB -0.676 18.367 19.000 0.071 0.000 0.814 86 A HN 0.311 nan 8.150 nan 0.000 0.444 87 L N -0.795 120.486 121.223 0.097 0.000 2.141 87 L HA -0.131 4.212 4.340 0.005 0.000 0.209 87 L C 2.226 179.240 176.870 0.239 0.000 1.094 87 L CA 1.743 56.679 54.840 0.159 0.000 0.763 87 L CB -0.516 41.625 42.059 0.136 0.000 0.908 87 L HN 0.295 nan 8.230 nan 0.000 0.437 88 M N -0.305 119.382 119.600 0.144 0.000 2.108 88 M HA -0.185 4.298 4.480 0.005 0.000 0.257 88 M C 1.693 177.908 176.300 -0.142 0.000 1.071 88 M CA 2.232 57.551 55.300 0.032 0.000 1.093 88 M CB -1.927 30.521 32.600 -0.253 0.000 1.345 88 M HN 0.617 nan 8.290 nan 0.000 0.403 89 T N -3.977 110.509 114.554 -0.114 0.000 3.228 89 T HA 0.184 4.537 4.350 0.005 0.000 0.278 89 T C 0.261 174.936 174.700 -0.042 0.000 1.014 89 T CA -0.315 61.707 62.100 -0.130 0.000 0.904 89 T CB -0.418 68.391 68.868 -0.099 0.000 1.110 89 T HN 0.090 nan 8.240 nan 0.000 0.541 90 T N 2.641 117.228 114.554 0.054 0.000 3.151 90 T HA 0.400 4.753 4.350 0.005 0.000 0.332 90 T C 0.180 174.956 174.700 0.127 0.000 1.245 90 T CA -0.269 61.881 62.100 0.083 0.000 1.019 90 T CB 0.525 69.462 68.868 0.115 0.000 1.109 90 T HN 0.379 nan 8.240 nan 0.000 0.621 91 S N 3.599 119.298 115.700 -0.002 0.000 2.531 91 S HA 0.150 4.623 4.470 0.005 0.000 0.279 91 S C 0.068 174.677 174.600 0.015 0.000 1.305 91 S CA -0.606 57.566 58.200 -0.047 0.000 1.058 91 S CB 0.310 63.421 63.200 -0.149 0.000 0.899 91 S HN 0.444 nan 8.310 nan 0.000 0.493 92 Q N 3.118 122.909 119.800 -0.015 0.000 2.241 92 Q HA 0.244 4.587 4.340 0.005 0.000 0.254 92 Q C 0.180 175.998 176.000 -0.304 0.000 0.917 92 Q CA -0.599 55.053 55.803 -0.251 0.000 0.919 92 Q CB 1.462 29.768 28.738 -0.722 0.000 1.237 92 Q HN 0.685 nan 8.270 nan 0.000 0.434 93 D N 1.533 121.846 120.400 -0.145 0.000 2.264 93 D HA -0.117 4.526 4.640 0.005 0.000 0.208 93 D C 1.521 177.841 176.300 0.034 0.000 0.966 93 D CA 0.755 54.733 54.000 -0.037 0.000 0.864 93 D CB 0.167 40.996 40.800 0.048 0.000 0.933 93 D HN 0.690 nan 8.370 nan 0.000 0.499 94 W N -1.547 119.849 121.300 0.158 0.000 2.800 94 W HA 0.064 4.726 4.660 0.005 0.000 0.249 94 W C 0.314 177.047 176.519 0.357 0.000 1.294 94 W CA -0.222 57.240 57.345 0.196 0.000 1.402 94 W CB -0.411 29.148 29.460 0.166 0.000 1.126 94 W HN -0.049 nan 8.180 nan 0.000 0.652 95 W N 3.204 124.325 121.300 -0.298 0.000 1.896 95 W HA 0.236 4.899 4.660 0.005 0.000 0.302 95 W C -2.943 173.521 176.519 -0.092 0.000 1.016 95 W CA -1.800 55.454 57.345 -0.151 0.000 1.200 95 W CB 0.615 29.997 29.460 -0.131 0.000 1.226 95 W HN -0.364 nan 8.180 nan 0.000 0.308 96 P HA 0.055 nan 4.420 nan 0.000 0.266 96 P C -0.042 177.197 177.300 -0.102 0.000 1.195 96 P CA 0.579 63.602 63.100 -0.127 0.000 0.768 96 P CB 0.824 32.460 31.700 -0.107 0.000 0.838 97 A N 3.162 125.802 122.820 -0.299 0.000 2.454 97 A HA 0.134 4.457 4.320 0.005 0.000 0.260 97 A C 0.113 177.487 177.584 -0.351 0.000 1.106 97 A CA -0.278 51.408 52.037 -0.584 0.000 0.780 97 A CB -0.425 17.839 19.000 -1.226 0.000 1.044 97 A HN 0.446 nan 8.150 nan 0.000 0.498 98 D N 1.700 121.941 120.400 -0.265 0.000 2.488 98 D HA 0.134 4.776 4.640 0.005 0.000 0.238 98 D C 0.518 176.525 176.300 -0.488 0.000 1.138 98 D CA 0.782 54.408 54.000 -0.623 0.000 0.873 98 D CB -0.214 40.437 40.800 -0.249 0.000 1.183 98 D HN 0.518 nan 8.370 nan 0.000 0.458 99 F N 0.319 119.923 119.950 -0.576 0.000 3.059 99 F HA -0.277 4.253 4.527 0.005 0.000 0.290 99 F C 1.597 177.274 175.800 -0.205 0.000 0.786 99 F CA 0.598 58.413 58.000 -0.309 0.000 1.060 99 F CB -1.935 36.976 39.000 -0.148 0.000 1.327 99 F HN 0.641 nan 8.300 nan 0.000 0.409 100 G N -0.800 107.894 108.800 -0.177 0.000 2.155 100 G HA2 -0.316 3.647 3.960 0.005 0.000 0.257 100 G HA3 -0.316 3.647 3.960 0.005 0.000 0.257 100 G C -0.165 174.686 174.900 -0.082 0.000 0.983 100 G CA 0.395 45.417 45.100 -0.130 0.000 0.676 100 G HN 0.961 nan 8.290 nan 0.000 0.528 101 H N -1.631 117.349 119.070 -0.152 0.000 3.096 101 H HA 0.392 4.951 4.556 0.005 0.000 0.335 101 H C -0.099 175.207 175.328 -0.038 0.000 0.990 101 H CA -0.849 55.164 56.048 -0.058 0.000 1.393 101 H CB 0.785 30.584 29.762 0.061 0.000 1.742 101 H HN 0.023 nan 8.280 nan 0.000 0.501 102 Y N 2.927 123.333 120.300 0.177 0.000 2.529 102 Y HA 0.051 4.604 4.550 0.005 0.000 0.290 102 Y C 2.198 178.198 175.900 0.166 0.000 1.177 102 Y CA 0.862 58.983 58.100 0.034 0.000 1.305 102 Y CB 0.002 38.336 38.460 -0.210 0.000 1.047 102 Y HN 0.812 nan 8.280 nan 0.000 0.522 103 G N 0.138 109.334 108.800 0.660 0.000 2.491 103 G HA2 -0.294 3.669 3.960 0.005 0.000 0.218 103 G HA3 -0.294 3.669 3.960 0.005 0.000 0.218 103 G C 2.099 177.148 174.900 0.247 0.000 1.180 103 G CA 1.012 46.384 45.100 0.454 0.000 0.774 103 G HN 0.496 nan 8.290 nan 0.000 0.562 104 G N 0.731 109.672 108.800 0.236 0.000 2.440 104 G HA2 -0.183 3.780 3.960 0.005 0.000 0.218 104 G HA3 -0.183 3.780 3.960 0.005 0.000 0.218 104 G C 1.789 176.845 174.900 0.261 0.000 1.154 104 G CA 1.132 46.389 45.100 0.262 0.000 0.767 104 G HN 0.446 nan 8.290 nan 0.000 0.552 105 L N -0.545 120.812 121.223 0.223 0.000 2.042 105 L HA 0.065 4.407 4.340 0.005 0.000 0.210 105 L C 2.453 179.384 176.870 0.102 0.000 1.076 105 L CA 1.649 56.563 54.840 0.124 0.000 0.749 105 L CB -0.493 41.584 42.059 0.029 0.000 0.893 105 L HN 0.163 nan 8.230 nan 0.000 0.432 106 F N -0.604 119.463 119.950 0.195 0.000 2.259 106 F HA -0.054 4.476 4.527 0.005 0.000 0.298 106 F C 2.310 178.212 175.800 0.170 0.000 1.088 106 F CA 0.935 59.024 58.000 0.148 0.000 1.358 106 F CB -0.638 38.438 39.000 0.127 0.000 1.040 106 F HN 0.039 nan 8.300 nan 0.000 0.505 107 I N -0.423 120.342 120.570 0.325 0.000 2.252 107 I HA -0.284 3.889 4.170 0.005 0.000 0.245 107 I C 2.713 179.099 176.117 0.449 0.000 1.102 107 I CA 1.143 62.613 61.300 0.284 0.000 1.385 107 I CB -0.391 37.635 38.000 0.043 0.000 1.064 107 I HN 0.015 nan 8.210 nan 0.000 0.414 108 R N 1.042 121.764 120.500 0.370 0.000 2.091 108 R HA -0.238 4.105 4.340 0.005 0.000 0.238 108 R C 2.413 178.827 176.300 0.189 0.000 1.136 108 R CA 1.784 58.098 56.100 0.358 0.000 0.959 108 R CB -0.264 30.147 30.300 0.186 0.000 0.856 108 R HN 0.322 nan 8.270 nan 0.000 0.437 109 M N -0.007 119.698 119.600 0.175 0.000 2.086 109 M HA -0.149 4.334 4.480 0.005 0.000 0.261 109 M C 2.111 178.515 176.300 0.173 0.000 1.067 109 M CA 2.145 57.520 55.300 0.124 0.000 1.116 109 M CB -0.175 32.556 32.600 0.218 0.000 1.348 109 M HN 0.295 nan 8.290 nan 0.000 0.407 110 A N 0.771 123.769 122.820 0.298 0.000 1.873 110 A HA -0.233 4.090 4.320 0.005 0.000 0.215 110 A C 2.082 179.820 177.584 0.257 0.000 1.186 110 A CA 1.486 53.691 52.037 0.280 0.000 0.616 110 A CB -1.689 17.573 19.000 0.437 0.000 0.823 110 A HN 0.925 nan 8.150 nan 0.000 0.442 111 W N 0.528 122.019 121.300 0.318 0.000 2.318 111 W HA -0.261 4.402 4.660 0.004 0.000 0.313 111 W C 1.856 178.509 176.519 0.224 0.000 1.221 111 W CA 1.958 59.468 57.345 0.276 0.000 1.266 111 W CB -0.741 29.013 29.460 0.490 0.000 1.150 111 W HN 0.600 nan 8.180 nan 0.000 0.496 112 H N -0.248 118.509 119.070 -0.522 0.000 2.423 112 H HA -0.159 4.400 4.556 0.005 0.000 0.297 112 H C 2.684 177.739 175.328 -0.455 0.000 1.075 112 H CA 1.418 57.060 56.048 -0.676 0.000 1.342 112 H CB -0.208 29.317 29.762 -0.394 0.000 1.395 112 H HN 0.147 nan 8.280 nan 0.000 0.530 113 S N 0.460 116.071 115.700 -0.148 0.000 2.353 113 S HA -0.183 4.290 4.470 0.005 0.000 0.222 113 S C 2.376 176.850 174.600 -0.210 0.000 1.035 113 S CA 1.173 59.272 58.200 -0.168 0.000 1.025 113 S CB -0.205 62.936 63.200 -0.098 0.000 0.902 113 S HN 0.500 nan 8.310 nan 0.000 0.440 114 A N 0.247 122.945 122.820 -0.204 0.000 2.016 114 A HA 0.287 4.609 4.320 0.005 0.000 0.217 114 A C 2.169 179.642 177.584 -0.186 0.000 1.162 114 A CA 1.266 53.189 52.037 -0.191 0.000 0.662 114 A CB -1.136 17.749 19.000 -0.192 0.000 0.812 114 A HN 0.618 nan 8.150 nan 0.000 0.450 115 G N -0.339 108.194 108.800 -0.445 0.000 2.776 115 G HA2 -0.008 3.955 3.960 0.005 0.000 0.209 115 G HA3 -0.008 3.955 3.960 0.005 0.000 0.209 115 G C 1.320 175.870 174.900 -0.584 0.000 1.145 115 G CA 1.459 46.122 45.100 -0.728 0.000 0.791 115 G HN 0.629 nan 8.290 nan 0.000 0.530 116 T N -3.003 111.370 114.554 -0.302 0.000 3.129 116 T HA 0.111 4.464 4.350 0.005 0.000 0.251 116 T C 0.855 175.642 174.700 0.144 0.000 1.117 116 T CA -0.543 61.509 62.100 -0.081 0.000 1.034 116 T CB -0.241 68.573 68.868 -0.091 0.000 0.968 116 T HN 0.167 nan 8.240 nan 0.000 0.526 117 Y N 3.306 123.598 120.300 -0.013 0.000 2.597 117 Y HA 0.389 4.941 4.550 0.004 0.000 0.336 117 Y C 0.011 175.949 175.900 0.064 0.000 1.216 117 Y CA -0.874 57.238 58.100 0.021 0.000 1.463 117 Y CB 0.390 38.838 38.460 -0.020 0.000 1.303 117 Y HN 0.048 nan 8.280 nan 0.000 0.576 118 R N 3.200 123.330 120.500 -0.617 0.000 2.480 118 R HA 0.299 4.642 4.340 0.005 0.000 0.306 118 R C 0.712 176.499 176.300 -0.854 0.000 0.958 118 R CA -0.482 55.312 56.100 -0.510 0.000 0.861 118 R CB 1.341 31.498 30.300 -0.239 0.000 1.171 118 R HN 0.670 nan 8.270 nan 0.000 0.445 119 T N 1.236 115.457 114.554 -0.556 0.000 3.035 119 T HA -0.105 4.248 4.350 0.005 0.000 0.268 119 T C 1.812 176.392 174.700 -0.201 0.000 1.109 119 T CA 1.424 63.320 62.100 -0.340 0.000 1.119 119 T CB 0.012 68.855 68.868 -0.043 0.000 0.900 119 T HN 0.700 nan 8.240 nan 0.000 0.503 120 A N 2.616 125.324 122.820 -0.187 0.000 1.883 120 A HA -0.148 4.175 4.320 0.005 0.000 0.217 120 A C 1.918 179.415 177.584 -0.145 0.000 1.186 120 A CA 2.025 53.981 52.037 -0.135 0.000 0.624 120 A CB -0.276 18.654 19.000 -0.116 0.000 0.822 120 A HN 0.629 nan 8.150 nan 0.000 0.444 121 D N -4.533 115.758 120.400 -0.181 0.000 2.520 121 D HA 0.308 4.951 4.640 0.005 0.000 0.223 121 D C 1.069 177.278 176.300 -0.152 0.000 1.186 121 D CA 0.939 54.846 54.000 -0.154 0.000 0.821 121 D CB -0.468 40.243 40.800 -0.148 0.000 1.072 121 D HN 0.899 nan 8.370 nan 0.000 0.518 122 G N 0.791 109.461 108.800 -0.216 0.000 2.184 122 G HA2 -0.345 3.618 3.960 0.005 0.000 0.264 122 G HA3 -0.345 3.618 3.960 0.005 0.000 0.264 122 G C 0.420 175.287 174.900 -0.055 0.000 0.975 122 G CA 0.207 45.241 45.100 -0.109 0.000 0.642 122 G HN 0.450 nan 8.290 nan 0.000 0.536 123 R N 0.324 120.733 120.500 -0.151 0.000 2.583 123 R HA 0.526 4.869 4.340 0.005 0.000 0.268 123 R C 1.259 177.542 176.300 -0.030 0.000 1.101 123 R CA 0.483 56.523 56.100 -0.099 0.000 1.180 123 R CB 0.318 30.498 30.300 -0.200 0.000 1.128 123 R HN 1.421 nan 8.270 nan 0.000 0.568 124 G N -0.435 108.396 108.800 0.052 0.000 2.750 124 G HA2 0.105 4.068 3.960 0.005 0.000 0.228 124 G HA3 0.105 4.068 3.960 0.005 0.000 0.228 124 G C 0.158 175.174 174.900 0.193 0.000 1.367 124 G CA -0.309 44.911 45.100 0.200 0.000 0.871 124 G HN 1.165 nan 8.290 nan 0.000 0.560 125 G N -2.810 106.071 108.800 0.136 0.000 2.685 125 G HA2 0.431 4.394 3.960 0.005 0.000 0.387 125 G HA3 0.431 4.394 3.960 0.005 0.000 0.387 125 G C 0.924 175.780 174.900 -0.074 0.000 1.324 125 G CA 1.233 46.352 45.100 0.032 0.000 0.878 125 G HN 2.486 nan 8.290 nan 0.000 0.527 126 A N -0.566 122.165 122.820 -0.149 0.000 2.195 126 A HA 0.536 4.859 4.320 0.005 0.000 0.210 126 A C 2.529 180.018 177.584 -0.158 0.000 1.165 126 A CA 1.650 53.587 52.037 -0.166 0.000 0.806 126 A CB -0.374 18.499 19.000 -0.211 0.000 0.847 126 A HN 2.303 nan 8.150 nan 0.000 0.482 127 G N -0.189 108.519 108.800 -0.152 0.000 2.559 127 G HA2 -0.079 3.884 3.960 0.005 0.000 0.216 127 G HA3 -0.079 3.884 3.960 0.005 0.000 0.216 127 G C 0.978 175.807 174.900 -0.118 0.000 1.126 127 G CA 0.892 45.903 45.100 -0.150 0.000 0.778 127 G HN 0.649 nan 8.290 nan 0.000 0.543 128 E N -1.022 119.118 120.200 -0.099 0.000 2.601 128 E HA 0.271 4.624 4.350 0.005 0.000 0.219 128 E C 1.362 177.890 176.600 -0.120 0.000 0.964 128 E CA 0.068 56.407 56.400 -0.102 0.000 1.050 128 E CB 0.747 30.412 29.700 -0.058 0.000 1.068 128 E HN 0.263 nan 8.360 nan 0.000 0.496 129 G N 2.473 111.198 108.800 -0.125 0.000 2.225 129 G HA2 -0.321 3.641 3.960 0.005 0.000 0.267 129 G HA3 -0.321 3.641 3.960 0.005 0.000 0.267 129 G C 0.889 175.668 174.900 -0.202 0.000 1.024 129 G CA 0.296 45.303 45.100 -0.155 0.000 0.784 129 G HN 0.179 nan 8.290 nan 0.000 0.507 130 Q N -0.733 118.995 119.800 -0.120 0.000 2.437 130 Q HA -0.045 4.298 4.340 0.005 0.000 0.210 130 Q C 2.343 178.228 176.000 -0.192 0.000 0.972 130 Q CA 1.305 57.078 55.803 -0.050 0.000 0.903 130 Q CB -0.013 28.734 28.738 0.015 0.000 0.967 130 Q HN 0.896 nan 8.270 nan 0.000 0.486 131 Q N 1.064 120.700 119.800 -0.274 0.000 2.297 131 Q HA -0.162 4.181 4.340 0.005 0.000 0.208 131 Q C 1.747 177.511 176.000 -0.392 0.000 0.981 131 Q CA 1.027 56.636 55.803 -0.325 0.000 0.876 131 Q CB 0.131 28.707 28.738 -0.269 0.000 0.921 131 Q HN 0.339 nan 8.270 nan 0.000 0.446 132 R N -1.113 119.046 120.500 -0.569 0.000 2.310 132 R HA 0.085 4.428 4.340 0.005 0.000 0.202 132 R C -0.336 175.510 176.300 -0.756 0.000 0.933 132 R CA -0.014 55.625 56.100 -0.768 0.000 1.054 132 R CB 0.139 29.767 30.300 -1.120 0.000 0.985 132 R HN 0.023 nan 8.270 nan 0.000 0.489 133 F N 0.748 120.546 119.950 -0.253 0.000 2.541 133 F HA 0.592 5.122 4.527 0.005 0.000 0.331 133 F C 0.612 176.309 175.800 -0.173 0.000 1.057 133 F CA -1.534 56.354 58.000 -0.187 0.000 0.975 133 F CB 1.107 40.022 39.000 -0.142 0.000 1.246 133 F HN -0.087 nan 8.300 nan 0.000 0.484 134 A N 1.886 124.773 122.820 0.111 0.000 2.462 134 A HA 0.301 4.624 4.320 0.005 0.000 0.243 134 A C -1.790 175.827 177.584 0.055 0.000 1.076 134 A CA -0.905 51.157 52.037 0.041 0.000 0.773 134 A CB -0.277 18.760 19.000 0.061 0.000 1.010 134 A HN 0.574 nan 8.150 nan 0.000 0.493 135 P HA 0.078 nan 4.420 nan 0.000 0.257 135 P C 1.157 178.285 177.300 -0.286 0.000 1.241 135 P CA 0.261 63.373 63.100 0.019 0.000 0.816 135 P CB 0.135 31.997 31.700 0.269 0.000 1.150 136 L N 1.128 121.985 121.223 -0.609 0.000 2.127 136 L HA -0.189 4.154 4.340 0.005 0.000 0.211 136 L C 2.210 178.795 176.870 -0.475 0.000 1.089 136 L CA 1.866 56.117 54.840 -0.983 0.000 0.757 136 L CB -1.322 40.201 42.059 -0.893 0.000 0.899 136 L HN 0.135 nan 8.230 nan 0.000 0.434 137 N N -1.259 117.272 118.700 -0.282 0.000 2.519 137 N HA -0.148 4.595 4.740 0.005 0.000 0.186 137 N C 1.095 176.584 175.510 -0.036 0.000 1.062 137 N CA 1.221 54.168 53.050 -0.172 0.000 0.910 137 N CB -0.262 38.103 38.487 -0.204 0.000 0.958 137 N HN 0.125 nan 8.380 nan 0.000 0.445 138 S N -1.817 113.855 115.700 -0.046 0.000 2.900 138 S HA 0.169 4.642 4.470 0.005 0.000 0.253 138 S C -0.715 173.918 174.600 0.056 0.000 1.029 138 S CA -0.797 57.383 58.200 -0.034 0.000 1.096 138 S CB 0.121 63.202 63.200 -0.199 0.000 1.067 138 S HN 0.229 nan 8.310 nan 0.000 0.610 139 W N 3.234 124.410 121.300 -0.206 0.000 2.181 139 W HA 0.258 4.921 4.660 0.004 0.000 0.335 139 W C -2.021 174.368 176.519 -0.216 0.000 1.310 139 W CA -1.896 55.214 57.345 -0.393 0.000 1.226 139 W CB -0.231 29.057 29.460 -0.287 0.000 1.155 139 W HN 0.091 nan 8.180 nan 0.000 0.565 140 P HA -0.211 nan 4.420 nan 0.000 0.216 140 P C 1.237 178.455 177.300 -0.136 0.000 1.150 140 P CA 1.791 64.822 63.100 -0.115 0.000 0.837 140 P CB 0.311 31.929 31.700 -0.136 0.000 0.786 141 D N -1.554 118.825 120.400 -0.036 0.000 2.350 141 D HA -0.080 4.563 4.640 0.005 0.000 0.216 141 D C 0.869 177.238 176.300 0.115 0.000 0.968 141 D CA 0.747 54.776 54.000 0.048 0.000 0.894 141 D CB -0.551 40.273 40.800 0.040 0.000 0.909 141 D HN 0.010 nan 8.370 nan 0.000 0.520 142 N N -0.132 118.576 118.700 0.012 0.000 2.235 142 N HA 0.174 4.917 4.740 0.005 0.000 0.209 142 N C -0.348 174.877 175.510 -0.474 0.000 1.122 142 N CA -0.090 52.921 53.050 -0.065 0.000 0.845 142 N CB 0.451 38.948 38.487 0.017 0.000 1.004 142 N HN 0.007 nan 8.380 nan 0.000 0.499 143 A N 1.046 123.307 122.820 -0.931 0.000 2.565 143 A HA 0.079 4.402 4.320 0.005 0.000 0.237 143 A C 0.946 177.959 177.584 -0.952 0.000 1.053 143 A CA 0.129 51.019 52.037 -1.913 0.000 0.755 143 A CB -0.050 17.979 19.000 -1.619 0.000 0.980 143 A HN 0.458 nan 8.150 nan 0.000 0.506 144 N N -0.057 118.168 118.700 -0.793 0.000 2.900 144 N HA -0.185 4.558 4.740 0.005 0.000 0.240 144 N C 0.703 176.006 175.510 -0.345 0.000 0.953 144 N CA 1.570 54.342 53.050 -0.463 0.000 0.950 144 N CB -1.304 36.902 38.487 -0.469 0.000 1.102 144 N HN 0.676 nan 8.380 nan 0.000 0.593 145 L N 1.099 122.171 121.223 -0.252 0.000 2.376 145 L HA -0.094 4.249 4.340 0.005 0.000 0.219 145 L C 2.100 178.915 176.870 -0.090 0.000 1.133 145 L CA 1.254 56.005 54.840 -0.147 0.000 0.816 145 L CB -0.346 41.636 42.059 -0.130 0.000 0.933 145 L HN 0.228 nan 8.230 nan 0.000 0.449 146 D N 0.271 120.652 120.400 -0.032 0.000 2.144 146 D HA -0.221 4.422 4.640 0.005 0.000 0.199 146 D C 1.663 177.914 176.300 -0.081 0.000 0.984 146 D CA 1.102 55.073 54.000 -0.049 0.000 0.834 146 D CB -0.175 40.631 40.800 0.011 0.000 0.955 146 D HN 0.193 nan 8.370 nan 0.000 0.465 147 K N 1.231 121.529 120.400 -0.169 0.000 2.057 147 K HA 0.045 4.368 4.320 0.005 0.000 0.206 147 K C 2.409 179.016 176.600 0.011 0.000 1.050 147 K CA 1.198 57.418 56.287 -0.112 0.000 0.935 147 K CB -0.840 31.240 32.500 -0.701 0.000 0.715 147 K HN 0.273 nan 8.250 nan 0.000 0.439 148 A N 2.182 124.954 122.820 -0.080 0.000 1.865 148 A HA -0.207 4.115 4.320 0.005 0.000 0.217 148 A C 2.309 180.061 177.584 0.279 0.000 1.191 148 A CA 1.667 53.732 52.037 0.047 0.000 0.623 148 A CB -0.492 18.534 19.000 0.043 0.000 0.826 148 A HN 0.279 nan 8.150 nan 0.000 0.444 149 R N -1.336 119.257 120.500 0.156 0.000 2.081 149 R HA -0.148 4.195 4.340 0.005 0.000 0.235 149 R C 2.441 178.914 176.300 0.289 0.000 1.131 149 R CA 1.576 57.774 56.100 0.164 0.000 0.960 149 R CB -0.313 29.898 30.300 -0.148 0.000 0.856 149 R HN 0.441 nan 8.270 nan 0.000 0.436 150 R N 1.445 122.070 120.500 0.209 0.000 2.096 150 R HA -0.064 4.279 4.340 0.005 0.000 0.235 150 R C 2.005 178.585 176.300 0.468 0.000 1.127 150 R CA 1.292 57.558 56.100 0.277 0.000 0.968 150 R CB -0.633 29.719 30.300 0.086 0.000 0.861 150 R HN 0.212 nan 8.270 nan 0.000 0.440 151 L N -0.179 121.332 121.223 0.479 0.000 2.191 151 L HA -0.116 4.227 4.340 0.005 0.000 0.212 151 L C 1.811 178.894 176.870 0.355 0.000 1.103 151 L CA 0.912 55.998 54.840 0.411 0.000 0.769 151 L CB -0.223 41.951 42.059 0.191 0.000 0.908 151 L HN 0.217 nan 8.230 nan 0.000 0.438 152 L N -1.721 119.733 121.223 0.384 0.000 2.558 152 L HA -0.115 4.228 4.340 0.005 0.000 0.225 152 L C 2.161 179.200 176.870 0.281 0.000 1.128 152 L CA 0.155 55.154 54.840 0.265 0.000 0.868 152 L CB -0.358 41.867 42.059 0.276 0.000 1.006 152 L HN 0.490 nan 8.230 nan 0.000 0.454 153 W N 2.896 124.345 121.300 0.247 0.000 2.338 153 W HA -0.169 4.493 4.660 0.005 0.000 0.304 153 W C -0.961 175.594 176.519 0.062 0.000 1.212 153 W CA 1.088 58.545 57.345 0.187 0.000 1.264 153 W CB -0.997 28.604 29.460 0.235 0.000 1.142 153 W HN 0.103 nan 8.180 nan 0.000 0.512 154 P HA -0.203 nan 4.420 nan 0.000 0.215 154 P C 1.677 178.772 177.300 -0.342 0.000 1.153 154 P CA 2.158 65.022 63.100 -0.394 0.000 0.853 154 P CB -0.282 31.343 31.700 -0.125 0.000 0.788 155 I N -0.916 119.553 120.570 -0.168 0.000 2.202 155 I HA -0.240 3.933 4.170 0.005 0.000 0.242 155 I C 2.387 178.439 176.117 -0.109 0.000 1.091 155 I CA 1.318 62.572 61.300 -0.077 0.000 1.368 155 I CB -0.329 37.674 38.000 0.004 0.000 1.058 155 I HN -0.141 nan 8.210 nan 0.000 0.410 156 K N 1.193 121.443 120.400 -0.248 0.000 2.032 156 K HA -0.280 4.043 4.320 0.005 0.000 0.209 156 K C 2.150 178.563 176.600 -0.311 0.000 1.048 156 K CA 1.777 57.870 56.287 -0.323 0.000 0.927 156 K CB -0.378 31.759 32.500 -0.605 0.000 0.712 156 K HN 0.263 nan 8.250 nan 0.000 0.441 157 Q N 0.295 119.662 119.800 -0.722 0.000 2.135 157 Q HA -0.248 4.095 4.340 0.005 0.000 0.204 157 Q C 2.022 177.763 176.000 -0.431 0.000 0.981 157 Q CA 2.045 57.344 55.803 -0.839 0.000 0.856 157 Q CB -0.132 27.715 28.738 -1.485 0.000 0.902 157 Q HN 0.355 nan 8.270 nan 0.000 0.425 158 K N -0.820 119.325 120.400 -0.424 0.000 2.025 158 K HA -0.167 4.156 4.320 0.005 0.000 0.207 158 K C 1.344 177.645 176.600 -0.498 0.000 1.049 158 K CA 1.505 57.505 56.287 -0.479 0.000 0.933 158 K CB -0.071 32.060 32.500 -0.615 0.000 0.714 158 K HN 0.306 nan 8.250 nan 0.000 0.438 159 Y N -0.004 120.220 120.300 -0.126 0.000 2.500 159 Y HA 0.173 4.726 4.550 0.005 0.000 0.270 159 Y C 1.447 177.333 175.900 -0.022 0.000 1.134 159 Y CA 0.172 58.232 58.100 -0.067 0.000 1.293 159 Y CB 0.495 38.918 38.460 -0.061 0.000 1.063 159 Y HN 0.386 nan 8.280 nan 0.000 0.534 160 G N 1.812 110.652 108.800 0.068 0.000 2.574 160 G HA2 -0.423 3.540 3.960 0.005 0.000 0.286 160 G HA3 -0.423 3.540 3.960 0.005 0.000 0.286 160 G C 1.200 176.198 174.900 0.164 0.000 1.212 160 G CA 0.670 45.823 45.100 0.088 0.000 0.979 160 G HN 0.472 nan 8.290 nan 0.000 0.557 161 R N 0.919 121.530 120.500 0.186 0.000 2.280 161 R HA 0.404 4.747 4.340 0.005 0.000 0.207 161 R C 2.482 179.068 176.300 0.477 0.000 1.043 161 R CA 1.749 58.020 56.100 0.285 0.000 1.006 161 R CB -0.336 30.051 30.300 0.144 0.000 0.885 161 R HN 1.052 nan 8.270 nan 0.000 0.467 162 A N 1.459 124.488 122.820 0.349 0.000 2.168 162 A HA 0.128 4.451 4.320 0.005 0.000 0.215 162 A C 1.111 178.933 177.584 0.397 0.000 1.152 162 A CA 0.423 52.650 52.037 0.316 0.000 0.716 162 A CB -0.015 19.085 19.000 0.167 0.000 0.794 162 A HN 0.445 nan 8.150 nan 0.000 0.465 163 I N 0.651 121.467 120.570 0.410 0.000 2.512 163 I HA 0.293 4.466 4.170 0.005 0.000 0.287 163 I C 0.033 176.343 176.117 0.321 0.000 1.069 163 I CA -0.695 60.886 61.300 0.469 0.000 1.056 163 I CB 1.953 40.093 38.000 0.234 0.000 1.229 163 I HN 0.190 nan 8.210 nan 0.000 0.429 164 S N 4.513 120.386 115.700 0.289 0.000 2.584 164 S HA 0.116 4.589 4.470 0.005 0.000 0.270 164 S C 0.748 175.352 174.600 0.007 0.000 1.346 164 S CA -0.276 57.903 58.200 -0.035 0.000 1.018 164 S CB 0.647 63.621 63.200 -0.376 0.000 0.899 164 S HN 0.831 nan 8.310 nan 0.000 0.542 165 W N 1.173 122.439 121.300 -0.057 0.000 2.318 165 W HA -0.166 4.497 4.660 0.004 0.000 0.313 165 W C 2.804 179.262 176.519 -0.101 0.000 1.221 165 W CA 1.451 58.750 57.345 -0.076 0.000 1.266 165 W CB -0.662 28.703 29.460 -0.160 0.000 1.150 165 W HN 0.929 nan 8.180 nan 0.000 0.496 166 A N 0.098 122.970 122.820 0.087 0.000 1.883 166 A HA -0.272 4.051 4.320 0.005 0.000 0.217 166 A C 1.677 179.270 177.584 0.014 0.000 1.186 166 A CA 2.331 54.360 52.037 -0.013 0.000 0.624 166 A CB -1.000 17.933 19.000 -0.111 0.000 0.822 166 A HN 0.195 nan 8.150 nan 0.000 0.444 167 D N -0.745 119.678 120.400 0.037 0.000 2.117 167 D HA -0.105 4.538 4.640 0.005 0.000 0.197 167 D C 1.840 178.256 176.300 0.194 0.000 0.987 167 D CA 1.164 55.250 54.000 0.143 0.000 0.829 167 D CB -0.342 40.588 40.800 0.218 0.000 0.961 167 D HN 0.317 nan 8.370 nan 0.000 0.460 168 L N 0.652 121.948 121.223 0.122 0.000 2.046 168 L HA -0.089 4.254 4.340 0.005 0.000 0.208 168 L C 2.140 179.044 176.870 0.056 0.000 1.077 168 L CA 1.314 56.182 54.840 0.047 0.000 0.747 168 L CB -0.525 41.509 42.059 -0.041 0.000 0.896 168 L HN 0.034 nan 8.230 nan 0.000 0.432 169 L N -1.116 120.181 121.223 0.124 0.000 2.012 169 L HA -0.251 4.092 4.340 0.005 0.000 0.210 169 L C 2.491 179.418 176.870 0.094 0.000 1.073 169 L CA 1.015 55.921 54.840 0.111 0.000 0.748 169 L CB -0.741 41.376 42.059 0.098 0.000 0.891 169 L HN 0.276 nan 8.230 nan 0.000 0.431 170 I N -0.384 120.247 120.570 0.103 0.000 2.202 170 I HA -0.242 3.931 4.170 0.005 0.000 0.242 170 I C 2.503 178.719 176.117 0.165 0.000 1.091 170 I CA 1.241 62.633 61.300 0.152 0.000 1.368 170 I CB -1.065 37.007 38.000 0.120 0.000 1.058 170 I HN 0.232 nan 8.210 nan 0.000 0.410 171 L N 0.748 121.980 121.223 0.014 0.000 2.079 171 L HA -0.183 4.160 4.340 0.005 0.000 0.210 171 L C 2.406 179.147 176.870 -0.214 0.000 1.081 171 L CA 1.970 56.572 54.840 -0.396 0.000 0.752 171 L CB -0.948 40.772 42.059 -0.566 0.000 0.896 171 L HN 0.169 nan 8.230 nan 0.000 0.433 172 T N -0.706 113.763 114.554 -0.143 0.000 2.777 172 T HA -0.077 4.276 4.350 0.005 0.000 0.266 172 T C 1.721 176.375 174.700 -0.077 0.000 1.040 172 T CA 1.116 63.090 62.100 -0.211 0.000 1.141 172 T CB -0.825 67.838 68.868 -0.342 0.000 0.868 172 T HN 0.588 nan 8.240 nan 0.000 0.444 173 G N 1.895 110.760 108.800 0.107 0.000 2.476 173 G HA2 -0.303 3.660 3.960 0.005 0.000 0.218 173 G HA3 -0.303 3.660 3.960 0.005 0.000 0.218 173 G C 1.632 176.617 174.900 0.141 0.000 1.164 173 G CA 1.078 46.339 45.100 0.268 0.000 0.768 173 G HN 0.399 nan 8.290 nan 0.000 0.560 174 N N 0.174 118.994 118.700 0.200 0.000 2.069 174 N HA -0.109 4.634 4.740 0.005 0.000 0.191 174 N C 2.264 177.736 175.510 -0.064 0.000 1.031 174 N CA 1.267 54.380 53.050 0.106 0.000 0.852 174 N CB -0.583 37.983 38.487 0.132 0.000 1.018 174 N HN 0.187 nan 8.380 nan 0.000 0.423 175 V N 0.887 120.715 119.914 -0.143 0.000 2.407 175 V HA -0.179 3.944 4.120 0.005 0.000 0.248 175 V C 2.234 178.189 176.094 -0.232 0.000 1.055 175 V CA 1.681 63.815 62.300 -0.275 0.000 1.049 175 V CB -1.014 30.568 31.823 -0.402 0.000 0.662 175 V HN 0.342 nan 8.190 nan 0.000 0.455 176 A N -0.002 122.749 122.820 -0.115 0.000 1.877 176 A HA -0.183 4.140 4.320 0.005 0.000 0.216 176 A C 2.223 179.722 177.584 -0.143 0.000 1.186 176 A CA 1.898 53.924 52.037 -0.017 0.000 0.620 176 A CB -0.585 18.466 19.000 0.085 0.000 0.822 176 A HN 0.481 nan 8.150 nan 0.000 0.443 177 L N -0.691 120.367 121.223 -0.274 0.000 1.990 177 L HA -0.280 4.063 4.340 0.005 0.000 0.213 177 L C 2.685 179.517 176.870 -0.064 0.000 1.072 177 L CA 2.107 56.751 54.840 -0.327 0.000 0.755 177 L CB -0.650 41.176 42.059 -0.388 0.000 0.889 177 L HN 0.495 nan 8.230 nan 0.000 0.432 178 E N -0.891 119.299 120.200 -0.016 0.000 2.072 178 E HA -0.210 4.143 4.350 0.005 0.000 0.191 178 E C 2.303 179.011 176.600 0.181 0.000 0.985 178 E CA 1.278 57.726 56.400 0.080 0.000 0.801 178 E CB -0.149 29.611 29.700 0.099 0.000 0.750 178 E HN 0.299 nan 8.360 nan 0.000 0.452 179 S N 0.400 116.214 115.700 0.188 0.000 2.387 179 S HA -0.151 4.321 4.470 0.005 0.000 0.230 179 S C 1.675 176.422 174.600 0.246 0.000 1.035 179 S CA 1.160 59.550 58.200 0.316 0.000 1.014 179 S CB -0.055 63.335 63.200 0.316 0.000 0.836 179 S HN 0.186 nan 8.310 nan 0.000 0.466 180 M N 0.206 119.890 119.600 0.141 0.000 2.493 180 M HA 0.271 4.753 4.480 0.005 0.000 0.244 180 M C 1.178 177.652 176.300 0.290 0.000 1.182 180 M CA 0.481 55.871 55.300 0.150 0.000 0.981 180 M CB 0.587 33.227 32.600 0.067 0.000 1.551 180 M HN 0.501 nan 8.290 nan 0.000 0.476 181 G N 1.367 110.303 108.800 0.227 0.000 2.141 181 G HA2 -0.276 3.687 3.960 0.005 0.000 0.231 181 G HA3 -0.276 3.687 3.960 0.005 0.000 0.231 181 G C -0.335 174.673 174.900 0.180 0.000 0.984 181 G CA -0.502 44.728 45.100 0.218 0.000 0.660 181 G HN 0.477 nan 8.290 nan 0.000 0.525 182 F N 1.754 121.679 119.950 -0.042 0.000 2.427 182 F HA 0.647 5.177 4.527 0.004 0.000 0.346 182 F C 0.439 176.089 175.800 -0.250 0.000 1.120 182 F CA -1.169 56.647 58.000 -0.307 0.000 1.033 182 F CB 1.115 39.881 39.000 -0.390 0.000 1.126 182 F HN 0.031 nan 8.300 nan 0.000 0.462 183 K N 5.521 125.433 120.400 -0.814 0.000 2.276 183 K HA 0.280 4.603 4.320 0.005 0.000 0.285 183 K C -0.295 175.985 176.600 -0.532 0.000 1.062 183 K CA -0.383 55.606 56.287 -0.497 0.000 0.918 183 K CB 0.641 32.900 32.500 -0.402 0.000 1.055 183 K HN 0.796 nan 8.250 nan 0.000 0.477 184 T N 1.094 115.554 114.554 -0.156 0.000 2.874 184 T HA 0.143 4.496 4.350 0.005 0.000 0.281 184 T C 0.813 175.548 174.700 0.058 0.000 0.994 184 T CA -0.672 61.454 62.100 0.043 0.000 1.015 184 T CB 0.607 69.586 68.868 0.184 0.000 1.028 184 T HN 0.545 nan 8.240 nan 0.000 0.523 185 F N 1.151 121.098 119.950 -0.006 0.000 2.502 185 F HA 0.366 4.896 4.527 0.005 0.000 0.298 185 F C 1.294 176.982 175.800 -0.187 0.000 1.111 185 F CA 1.171 59.107 58.000 -0.107 0.000 1.445 185 F CB -0.441 38.504 39.000 -0.092 0.000 1.081 185 F HN 1.213 nan 8.300 nan 0.000 0.558 186 G N -0.881 107.931 108.800 0.020 0.000 2.362 186 G HA2 0.283 4.246 3.960 0.005 0.000 0.288 186 G HA3 0.283 4.246 3.960 0.005 0.000 0.288 186 G C -2.016 173.095 174.900 0.352 0.000 1.305 186 G CA -0.477 44.617 45.100 -0.012 0.000 0.910 186 G HN 0.280 nan 8.290 nan 0.000 0.518 187 F N -0.013 120.039 119.950 0.170 0.000 2.654 187 F HA 0.743 5.273 4.527 0.005 0.000 0.314 187 F C -0.763 175.186 175.800 0.249 0.000 1.116 187 F CA 0.112 58.306 58.000 0.323 0.000 1.017 187 F CB 1.360 40.515 39.000 0.258 0.000 1.285 187 F HN 1.513 nan 8.300 nan 0.000 0.448 188 A N 3.398 125.880 122.820 -0.564 0.000 2.355 188 A HA 0.838 5.161 4.320 0.005 0.000 0.317 188 A C -0.304 176.580 177.584 -1.167 0.000 1.094 188 A CA -0.185 51.477 52.037 -0.625 0.000 0.764 188 A CB 1.115 19.746 19.000 -0.614 0.000 1.230 188 A HN 1.345 nan 8.150 nan 0.000 0.448 189 G N -0.537 107.776 108.800 -0.812 0.000 2.537 189 G HA2 0.578 4.541 3.960 0.005 0.000 0.297 189 G HA3 0.578 4.541 3.960 0.005 0.000 0.297 189 G C 0.806 175.249 174.900 -0.762 0.000 1.310 189 G CA -0.226 44.258 45.100 -1.028 0.000 1.027 189 G HN 2.174 nan 8.290 nan 0.000 0.505 190 G N -1.611 106.839 108.800 -0.582 0.000 2.227 190 G HA2 -0.180 3.783 3.960 0.005 0.000 0.168 190 G HA3 -0.180 3.783 3.960 0.005 0.000 0.168 190 G C 0.410 175.309 174.900 -0.002 0.000 1.006 190 G CA -0.348 44.639 45.100 -0.188 0.000 0.684 190 G HN 0.698 nan 8.290 nan 0.000 0.489 191 R N 1.300 121.745 120.500 -0.093 0.000 2.309 191 R HA 0.553 4.896 4.340 0.005 0.000 0.331 191 R C 0.867 177.032 176.300 -0.225 0.000 1.116 191 R CA 0.542 56.561 56.100 -0.136 0.000 0.970 191 R CB 0.747 30.938 30.300 -0.181 0.000 1.024 191 R HN 0.465 nan 8.270 nan 0.000 0.472 192 A N 3.375 126.084 122.820 -0.184 0.000 2.440 192 A HA 0.062 4.385 4.320 0.005 0.000 0.251 192 A C -0.059 177.347 177.584 -0.296 0.000 1.089 192 A CA -0.516 51.320 52.037 -0.335 0.000 0.779 192 A CB 0.294 19.275 19.000 -0.033 0.000 1.022 192 A HN 0.561 nan 8.150 nan 0.000 0.492 193 D N 0.893 121.077 120.400 -0.359 0.000 2.378 193 D HA 0.361 5.004 4.640 0.005 0.000 0.238 193 D C 0.893 176.863 176.300 -0.551 0.000 1.180 193 D CA 1.084 54.824 54.000 -0.434 0.000 0.895 193 D CB 0.871 41.331 40.800 -0.566 0.000 1.192 193 D HN 0.709 nan 8.370 nan 0.000 0.438 194 T N -2.323 111.818 114.554 -0.688 0.000 2.910 194 T HA 0.555 4.908 4.350 0.005 0.000 0.287 194 T C 0.021 174.196 174.700 -0.876 0.000 1.050 194 T CA -0.811 60.887 62.100 -0.669 0.000 1.011 194 T CB 1.198 69.822 68.868 -0.407 0.000 1.195 194 T HN 0.554 nan 8.240 nan 0.000 0.540 195 W N 0.111 121.308 121.300 -0.172 0.000 2.324 195 W HA 0.332 4.995 4.660 0.005 0.000 0.316 195 W C 0.490 176.645 176.519 -0.607 0.000 0.927 195 W CA -0.629 56.609 57.345 -0.179 0.000 1.438 195 W CB 0.720 30.144 29.460 -0.059 0.000 1.085 195 W HN 0.984 nan 8.180 nan 0.000 0.532 196 E N -0.516 119.266 120.200 -0.695 0.000 2.445 196 E HA 0.399 4.752 4.350 0.005 0.000 0.279 196 E C -2.887 173.331 176.600 -0.635 0.000 1.018 196 E CA -2.545 53.401 56.400 -0.756 0.000 0.816 196 E CB 1.674 31.234 29.700 -0.233 0.000 1.356 196 E HN -0.382 nan 8.360 nan 0.000 0.462 197 P HA -0.044 nan 4.420 nan 0.000 0.262 197 P C -0.620 176.703 177.300 0.038 0.000 1.182 197 P CA 0.330 63.373 63.100 -0.094 0.000 0.761 197 P CB 0.428 32.124 31.700 -0.006 0.000 0.795 198 E N 2.947 123.207 120.200 0.100 0.000 2.398 198 E HA -0.009 4.344 4.350 0.005 0.000 0.263 198 E C -0.485 176.165 176.600 0.085 0.000 1.046 198 E CA -0.256 56.224 56.400 0.134 0.000 0.908 198 E CB 0.348 30.123 29.700 0.125 0.000 0.963 198 E HN 0.392 nan 8.360 nan 0.000 0.431 199 D N 3.866 124.280 120.400 0.023 0.000 2.339 199 D HA 0.189 4.832 4.640 0.005 0.000 0.241 199 D C -0.836 175.400 176.300 -0.105 0.000 1.183 199 D CA -0.059 53.929 54.000 -0.019 0.000 0.859 199 D CB 1.264 42.041 40.800 -0.038 0.000 1.067 199 D HN 0.060 nan 8.370 nan 0.000 0.484 200 V N 3.002 122.796 119.914 -0.200 0.000 2.760 200 V HA 0.085 4.208 4.120 0.005 0.000 0.309 200 V C -0.623 175.147 176.094 -0.539 0.000 1.077 200 V CA -1.099 60.888 62.300 -0.522 0.000 0.910 200 V CB 2.030 33.200 31.823 -1.088 0.000 1.008 200 V HN 0.406 nan 8.190 nan 0.000 0.424 201 Y N 3.072 123.079 120.300 -0.488 0.000 2.584 201 Y HA 0.212 4.765 4.550 0.005 0.000 0.351 201 Y C 0.256 175.951 175.900 -0.342 0.000 1.030 201 Y CA -0.508 57.404 58.100 -0.313 0.000 1.332 201 Y CB 0.526 38.868 38.460 -0.197 0.000 1.148 201 Y HN 0.771 nan 8.280 nan 0.000 0.528 202 W N 4.462 125.530 121.300 -0.388 0.000 3.278 202 W HA 0.463 5.126 4.660 0.005 0.000 0.308 202 W C 0.811 176.995 176.519 -0.559 0.000 1.253 202 W CA 0.500 57.670 57.345 -0.292 0.000 1.759 202 W CB 0.316 29.803 29.460 0.046 0.000 1.093 202 W HN 0.976 nan 8.180 nan 0.000 0.648 203 G N -0.506 107.650 108.800 -1.073 0.000 2.357 203 G HA2 -0.051 3.912 3.960 0.005 0.000 0.643 203 G HA3 -0.051 3.912 3.960 0.005 0.000 0.643 203 G C 0.033 174.681 174.900 -0.421 0.000 1.358 203 G CA -0.361 44.316 45.100 -0.705 0.000 0.986 203 G HN -0.167 nan 8.290 nan 0.000 0.620 204 S N -0.264 115.377 115.700 -0.099 0.000 2.559 204 S HA 0.277 4.750 4.470 0.005 0.000 0.226 204 S C 0.501 175.072 174.600 -0.048 0.000 1.000 204 S CA 0.127 58.337 58.200 0.017 0.000 0.948 204 S CB 0.519 63.795 63.200 0.127 0.000 0.870 204 S HN 0.628 nan 8.310 nan 0.000 0.497 205 E N 2.001 122.143 120.200 -0.098 0.000 2.398 205 E HA 0.168 4.521 4.350 0.005 0.000 0.263 205 E C 0.610 177.103 176.600 -0.178 0.000 1.046 205 E CA 0.099 56.431 56.400 -0.113 0.000 0.908 205 E CB 0.426 30.055 29.700 -0.118 0.000 0.963 205 E HN -0.122 nan 8.360 nan 0.000 0.431 206 K N 1.552 121.857 120.400 -0.159 0.000 2.387 206 K HA 0.317 4.640 4.320 0.005 0.000 0.203 206 K C -0.246 176.213 176.600 -0.235 0.000 1.030 206 K CA 0.039 56.208 56.287 -0.197 0.000 1.099 206 K CB 0.275 32.703 32.500 -0.120 0.000 0.863 206 K HN 0.419 nan 8.250 nan 0.000 0.529 207 I N 0.242 120.679 120.570 -0.222 0.000 2.466 207 I HA 0.271 4.444 4.170 0.005 0.000 0.289 207 I C -0.505 175.505 176.117 -0.178 0.000 1.026 207 I CA -1.071 60.126 61.300 -0.172 0.000 1.078 207 I CB 1.384 39.350 38.000 -0.057 0.000 1.249 207 I HN -0.051 nan 8.210 nan 0.000 0.429 208 W N 6.967 128.243 121.300 -0.040 0.000 2.343 208 W HA 0.139 4.802 4.660 0.005 0.000 0.337 208 W C 0.949 177.428 176.519 -0.067 0.000 1.320 208 W CA -0.059 57.244 57.345 -0.069 0.000 1.290 208 W CB 0.158 29.593 29.460 -0.041 0.000 1.206 208 W HN 0.470 nan 8.180 nan 0.000 0.565 209 L N 1.022 122.353 121.223 0.180 0.000 4.429 209 L HA -0.297 4.046 4.340 0.005 0.000 0.422 209 L C 0.791 177.693 176.870 0.053 0.000 1.149 209 L CA 0.264 55.153 54.840 0.082 0.000 0.972 209 L CB -1.766 40.344 42.059 0.086 0.000 2.059 209 L HN 0.561 nan 8.230 nan 0.000 0.870 210 E N 1.320 121.538 120.200 0.029 0.000 2.529 210 E HA 0.149 4.502 4.350 0.005 0.000 0.259 210 E C 0.366 176.990 176.600 0.040 0.000 0.966 210 E CA -0.116 56.298 56.400 0.023 0.000 0.937 210 E CB 0.527 30.224 29.700 -0.005 0.000 0.923 210 E HN 0.246 nan 8.360 nan 0.000 0.468 211 L N 3.018 124.266 121.223 0.043 0.000 2.464 211 L HA 0.080 4.422 4.340 0.005 0.000 0.264 211 L C 0.989 177.895 176.870 0.060 0.000 1.199 211 L CA -0.464 54.405 54.840 0.049 0.000 0.818 211 L CB 0.696 42.777 42.059 0.037 0.000 1.102 211 L HN 0.628 nan 8.230 nan 0.000 0.473 212 S N -0.007 115.733 115.700 0.068 0.000 2.580 212 S HA 0.342 4.815 4.470 0.005 0.000 0.266 212 S C 1.025 175.666 174.600 0.069 0.000 1.354 212 S CA -0.065 58.197 58.200 0.105 0.000 1.008 212 S CB 1.112 64.356 63.200 0.073 0.000 0.898 212 S HN 1.113 nan 8.310 nan 0.000 0.555 213 G N 0.151 109.004 108.800 0.088 0.000 2.159 213 G HA2 -0.084 3.878 3.960 0.005 0.000 0.256 213 G HA3 -0.084 3.878 3.960 0.005 0.000 0.256 213 G C 0.560 175.487 174.900 0.046 0.000 0.977 213 G CA 0.165 45.302 45.100 0.061 0.000 0.652 213 G HN 1.369 nan 8.290 nan 0.000 0.531 214 G N 0.181 109.008 108.800 0.045 0.000 2.653 214 G HA2 0.555 4.517 3.960 0.005 0.000 0.265 214 G HA3 0.555 4.517 3.960 0.005 0.000 0.265 214 G C -0.129 174.787 174.900 0.027 0.000 1.237 214 G CA 0.002 45.120 45.100 0.029 0.000 0.946 214 G HN 0.130 nan 8.290 nan 0.000 0.522 215 P HA -0.058 nan 4.420 nan 0.000 0.221 215 P C 0.495 177.806 177.300 0.018 0.000 1.145 215 P CA 0.933 64.043 63.100 0.015 0.000 0.795 215 P CB 0.292 31.996 31.700 0.007 0.000 0.775 216 N N -0.540 118.170 118.700 0.017 0.000 2.467 216 N HA 0.050 4.793 4.740 0.005 0.000 0.278 216 N C -0.163 175.366 175.510 0.031 0.000 1.306 216 N CA -0.024 53.039 53.050 0.022 0.000 0.905 216 N CB 0.409 38.900 38.487 0.006 0.000 1.236 216 N HN -0.015 nan 8.380 nan 0.000 0.509 217 S N 1.210 116.937 115.700 0.045 0.000 2.537 217 S HA -0.000 4.473 4.470 0.005 0.000 0.286 217 S C 1.543 176.176 174.600 0.055 0.000 1.299 217 S CA -0.324 57.918 58.200 0.070 0.000 1.067 217 S CB 0.651 63.908 63.200 0.095 0.000 0.864 217 S HN 0.469 nan 8.310 nan 0.000 0.494 218 R N 3.401 123.919 120.500 0.031 0.000 2.313 218 R HA 0.107 4.450 4.340 0.005 0.000 0.199 218 R C -0.571 175.591 176.300 -0.229 0.000 0.958 218 R CA 0.375 56.420 56.100 -0.090 0.000 1.047 218 R CB -0.177 30.027 30.300 -0.160 0.000 0.955 218 R HN 0.594 nan 8.270 nan 0.000 0.481 219 Y N 0.885 121.208 120.300 0.039 0.000 2.409 219 Y HA 0.390 4.943 4.550 0.005 0.000 0.339 219 Y C 0.155 176.076 175.900 0.034 0.000 1.033 219 Y CA -0.544 57.579 58.100 0.039 0.000 1.094 219 Y CB 2.210 40.692 38.460 0.037 0.000 1.210 219 Y HN 0.127 nan 8.280 nan 0.000 0.456 220 S N 0.695 116.512 115.700 0.196 0.000 2.618 220 S HA 0.871 5.344 4.470 0.005 0.000 0.277 220 S C 0.035 174.708 174.600 0.121 0.000 1.138 220 S CA -0.340 57.936 58.200 0.128 0.000 0.844 220 S CB 1.597 64.845 63.200 0.079 0.000 1.127 220 S HN 1.494 nan 8.310 nan 0.000 0.474 221 G N 1.647 110.498 108.800 0.085 0.000 2.547 221 G HA2 -0.248 3.715 3.960 0.005 0.000 0.271 221 G HA3 -0.248 3.715 3.960 0.005 0.000 0.271 221 G C -0.306 174.637 174.900 0.071 0.000 1.209 221 G CA 0.544 45.685 45.100 0.069 0.000 0.959 221 G HN 1.205 nan 8.290 nan 0.000 0.563 222 D N 0.995 121.435 120.400 0.067 0.000 2.608 222 D HA 0.405 5.048 4.640 0.005 0.000 0.224 222 D C 1.180 177.528 176.300 0.080 0.000 1.123 222 D CA 0.245 54.279 54.000 0.057 0.000 1.030 222 D CB -0.652 40.176 40.800 0.046 0.000 1.093 222 D HN 0.818 nan 8.370 nan 0.000 0.497 223 R N 1.221 121.776 120.500 0.091 0.000 3.333 223 R HA -0.193 4.150 4.340 0.005 0.000 0.256 223 R C -0.830 175.666 176.300 0.328 0.000 1.010 223 R CA 0.498 56.680 56.100 0.137 0.000 0.680 223 R CB -1.219 29.084 30.300 0.004 0.000 1.102 223 R HN 0.348 nan 8.270 nan 0.000 0.440 224 Q N 0.844 120.826 119.800 0.302 0.000 2.296 224 Q HA 0.223 4.566 4.340 0.005 0.000 0.257 224 Q C -0.246 175.820 176.000 0.111 0.000 0.942 224 Q CA -0.757 55.164 55.803 0.197 0.000 0.939 224 Q CB 1.452 30.256 28.738 0.109 0.000 1.198 224 Q HN 0.268 nan 8.270 nan 0.000 0.429 225 L N 3.361 124.571 121.223 -0.022 0.000 2.331 225 L HA 0.142 4.485 4.340 0.005 0.000 0.278 225 L C 0.301 177.071 176.870 -0.166 0.000 1.106 225 L CA -0.036 54.594 54.840 -0.349 0.000 0.824 225 L CB 0.669 42.556 42.059 -0.287 0.000 1.142 225 L HN 0.533 nan 8.230 nan 0.000 0.443 226 E N 3.096 123.192 120.200 -0.172 0.000 2.376 226 E HA 0.099 4.452 4.350 0.005 0.000 0.266 226 E C -0.670 175.905 176.600 -0.042 0.000 1.009 226 E CA -0.231 56.129 56.400 -0.067 0.000 0.902 226 E CB 0.120 29.803 29.700 -0.027 0.000 0.972 226 E HN 0.675 nan 8.360 nan 0.000 0.439 227 N N 3.553 122.228 118.700 -0.041 0.000 2.492 227 N HA 0.055 4.798 4.740 0.005 0.000 0.260 227 N C -1.778 173.712 175.510 -0.035 0.000 1.215 227 N CA -1.077 51.945 53.050 -0.047 0.000 0.923 227 N CB 0.653 39.094 38.487 -0.077 0.000 1.092 227 N HN 0.557 nan 8.380 nan 0.000 0.448 228 P HA 0.153 nan 4.420 nan 0.000 0.257 228 P C -0.699 176.595 177.300 -0.010 0.000 1.737 228 P CA 0.043 63.121 63.100 -0.037 0.000 1.130 228 P CB 0.249 31.907 31.700 -0.070 0.000 1.572 229 L N 0.178 121.412 121.223 0.019 0.000 2.436 229 L HA 0.491 4.834 4.340 0.005 0.000 0.265 229 L C 1.160 178.044 176.870 0.023 0.000 1.168 229 L CA -0.379 54.474 54.840 0.022 0.000 0.815 229 L CB 0.588 42.643 42.059 -0.006 0.000 1.109 229 L HN -0.030 nan 8.230 nan 0.000 0.462 230 A N 1.404 124.267 122.820 0.072 0.000 2.592 230 A HA 0.703 5.026 4.320 0.005 0.000 0.290 230 A C -0.006 177.685 177.584 0.178 0.000 0.998 230 A CA 0.198 52.304 52.037 0.115 0.000 0.983 230 A CB 0.384 19.453 19.000 0.116 0.000 1.240 230 A HN 0.695 nan 8.150 nan 0.000 0.535 231 A N -0.619 122.274 122.820 0.122 0.000 2.498 231 A HA 0.629 4.952 4.320 0.005 0.000 0.298 231 A C 0.769 178.417 177.584 0.106 0.000 1.075 231 A CA 0.214 52.325 52.037 0.123 0.000 0.714 231 A CB 0.848 19.861 19.000 0.021 0.000 1.299 231 A HN 1.176 nan 8.150 nan 0.000 0.407 232 V N -1.959 118.059 119.914 0.174 0.000 3.406 232 V HA 0.256 4.379 4.120 0.005 0.000 0.263 232 V C 0.331 176.562 176.094 0.228 0.000 1.172 232 V CA 1.179 63.655 62.300 0.293 0.000 1.140 232 V CB -1.045 30.964 31.823 0.309 0.000 0.784 232 V HN 0.711 nan 8.190 nan 0.000 0.467 233 Q N -0.047 119.800 119.800 0.078 0.000 2.391 233 Q HA 0.529 4.872 4.340 0.005 0.000 0.279 233 Q C -1.155 174.782 176.000 -0.104 0.000 1.028 233 Q CA -0.871 54.945 55.803 0.022 0.000 0.836 233 Q CB 2.429 31.188 28.738 0.035 0.000 1.414 233 Q HN 0.336 nan 8.270 nan 0.000 0.397 234 M N 1.324 120.853 119.600 -0.119 0.000 2.307 234 M HA 0.350 4.833 4.480 0.005 0.000 0.346 234 M C 0.753 176.887 176.300 -0.277 0.000 1.552 234 M CA 1.773 56.937 55.300 -0.226 0.000 1.116 234 M CB -0.414 32.063 32.600 -0.204 0.000 1.889 234 M HN 0.833 nan 8.290 nan 0.000 0.460 235 G N 3.901 112.191 108.800 -0.850 0.000 2.159 235 G HA2 -0.152 3.811 3.960 0.005 0.000 0.227 235 G HA3 -0.152 3.811 3.960 0.005 0.000 0.227 235 G C -0.323 174.098 174.900 -0.798 0.000 0.986 235 G CA 0.045 44.412 45.100 -1.221 0.000 0.651 235 G HN 0.699 nan 8.290 nan 0.000 0.523 236 L N 0.760 121.620 121.223 -0.606 0.000 2.334 236 L HA 0.512 4.855 4.340 0.005 0.000 0.272 236 L C 1.740 178.451 176.870 -0.265 0.000 1.020 236 L CA -1.453 53.224 54.840 -0.271 0.000 0.812 236 L CB 1.078 43.078 42.059 -0.098 0.000 1.264 236 L HN -0.142 nan 8.230 nan 0.000 0.439 237 I N 0.298 120.733 120.570 -0.225 0.000 2.206 237 I HA -0.172 4.001 4.170 0.005 0.000 0.239 237 I C 1.249 177.072 176.117 -0.491 0.000 1.078 237 I CA 2.099 63.120 61.300 -0.464 0.000 1.367 237 I CB -0.456 37.011 38.000 -0.888 0.000 1.078 237 I HN 0.650 nan 8.210 nan 0.000 0.413 238 Y N -0.424 119.923 120.300 0.079 0.000 3.183 238 Y HA 0.248 4.801 4.550 0.005 0.000 0.200 238 Y C 0.713 176.724 175.900 0.186 0.000 0.912 238 Y CA -0.317 57.875 58.100 0.154 0.000 1.642 238 Y CB 0.120 38.740 38.460 0.266 0.000 1.447 238 Y HN -0.123 nan 8.280 nan 0.000 0.421 239 V N -1.082 119.088 119.914 0.427 0.000 3.158 239 V HA 0.516 4.639 4.120 0.005 0.000 0.315 239 V C -0.785 175.455 176.094 0.243 0.000 1.148 239 V CA -1.157 61.330 62.300 0.311 0.000 1.042 239 V CB 1.748 33.761 31.823 0.317 0.000 1.101 239 V HN 0.306 nan 8.190 nan 0.000 0.448 240 N N 2.542 121.360 118.700 0.196 0.000 2.430 240 N HA 0.379 5.122 4.740 0.005 0.000 0.265 240 N C -1.564 174.060 175.510 0.189 0.000 1.100 240 N CA -1.874 51.276 53.050 0.166 0.000 0.961 240 N CB 1.658 40.224 38.487 0.132 0.000 1.075 240 N HN 0.616 nan 8.380 nan 0.000 0.478 241 P HA -0.062 nan 4.420 nan 0.000 0.226 241 P C 0.240 177.667 177.300 0.211 0.000 1.153 241 P CA 1.163 64.397 63.100 0.223 0.000 0.777 241 P CB 0.499 32.334 31.700 0.225 0.000 0.794 242 E N -0.437 119.876 120.200 0.189 0.000 2.385 242 E HA 0.274 4.627 4.350 0.005 0.000 0.194 242 E C 0.950 177.672 176.600 0.202 0.000 1.013 242 E CA 0.355 56.883 56.400 0.213 0.000 0.866 242 E CB 0.055 29.884 29.700 0.215 0.000 0.832 242 E HN 0.244 nan 8.360 nan 0.000 0.500 243 G N 1.364 110.265 108.800 0.167 0.000 2.357 243 G HA2 -0.091 3.872 3.960 0.005 0.000 0.643 243 G HA3 -0.091 3.872 3.960 0.005 0.000 0.643 243 G C -3.108 171.852 174.900 0.100 0.000 1.358 243 G CA -1.348 43.832 45.100 0.132 0.000 0.986 243 G HN -0.224 nan 8.290 nan 0.000 0.620 244 P HA 0.280 nan 4.420 nan 0.000 0.262 244 P C -0.095 177.216 177.300 0.018 0.000 1.199 244 P CA 0.766 63.884 63.100 0.029 0.000 0.763 244 P CB 0.359 32.053 31.700 -0.010 0.000 0.790 245 D N 3.297 123.709 120.400 0.020 0.000 2.882 245 D HA -0.206 4.437 4.640 0.005 0.000 0.229 245 D C 1.128 177.458 176.300 0.050 0.000 1.167 245 D CA 2.030 56.045 54.000 0.024 0.000 0.759 245 D CB -1.524 39.271 40.800 -0.009 0.000 1.088 245 D HN 0.795 nan 8.370 nan 0.000 0.425 246 G N -0.638 108.208 108.800 0.077 0.000 2.157 246 G HA2 -0.307 3.656 3.960 0.005 0.000 0.248 246 G HA3 -0.307 3.656 3.960 0.005 0.000 0.248 246 G C -0.001 174.972 174.900 0.122 0.000 0.979 246 G CA 0.099 45.270 45.100 0.118 0.000 0.650 246 G HN 0.387 nan 8.290 nan 0.000 0.529 247 N N 1.555 120.290 118.700 0.058 0.000 2.426 247 N HA 0.405 5.148 4.740 0.005 0.000 0.257 247 N C -2.539 172.970 175.510 -0.001 0.000 1.002 247 N CA -1.339 51.710 53.050 -0.001 0.000 0.942 247 N CB 1.948 40.433 38.487 -0.004 0.000 1.112 247 N HN 0.100 nan 8.380 nan 0.000 0.499 248 P HA 0.066 nan 4.420 nan 0.000 0.226 248 P C -0.760 176.642 177.300 0.171 0.000 1.783 248 P CA -0.013 63.112 63.100 0.042 0.000 0.980 248 P CB -0.196 31.390 31.700 -0.189 0.000 1.967 249 D N 2.119 122.586 120.400 0.112 0.000 2.441 249 D HA 0.233 4.876 4.640 0.005 0.000 0.231 249 D C -1.875 174.461 176.300 0.059 0.000 1.073 249 D CA -2.551 51.496 54.000 0.079 0.000 0.850 249 D CB 1.669 42.489 40.800 0.033 0.000 1.062 249 D HN -0.039 nan 8.370 nan 0.000 0.524 250 P HA -0.075 nan 4.420 nan 0.000 0.221 250 P C 1.471 178.798 177.300 0.045 0.000 1.150 250 P CA 0.302 63.403 63.100 0.001 0.000 0.800 250 P CB 0.583 32.221 31.700 -0.103 0.000 0.787 251 V N 0.060 119.990 119.914 0.027 0.000 2.407 251 V HA -0.147 3.976 4.120 0.005 0.000 0.245 251 V C 2.420 178.534 176.094 0.033 0.000 1.041 251 V CA 2.099 64.423 62.300 0.041 0.000 1.040 251 V CB -1.539 30.298 31.823 0.022 0.000 0.671 251 V HN 0.087 nan 8.190 nan 0.000 0.455 252 A N -0.051 122.786 122.820 0.029 0.000 1.968 252 A HA 0.015 4.338 4.320 0.005 0.000 0.217 252 A C 2.397 180.011 177.584 0.049 0.000 1.169 252 A CA 1.645 53.699 52.037 0.028 0.000 0.638 252 A CB -0.613 18.396 19.000 0.016 0.000 0.812 252 A HN 0.524 nan 8.150 nan 0.000 0.446 253 A N 0.150 123.010 122.820 0.068 0.000 1.908 253 A HA 0.118 4.441 4.320 0.005 0.000 0.218 253 A C 2.476 180.129 177.584 0.115 0.000 1.181 253 A CA 2.052 54.147 52.037 0.097 0.000 0.627 253 A CB -0.986 18.078 19.000 0.106 0.000 0.818 253 A HN 1.057 nan 8.150 nan 0.000 0.445 254 A N -0.447 122.440 122.820 0.112 0.000 1.940 254 A HA -0.195 4.128 4.320 0.005 0.000 0.219 254 A C 2.253 179.896 177.584 0.098 0.000 1.176 254 A CA 1.724 53.853 52.037 0.154 0.000 0.631 254 A CB -0.521 18.544 19.000 0.110 0.000 0.814 254 A HN 0.557 nan 8.150 nan 0.000 0.446 255 R N -0.412 120.121 120.500 0.055 0.000 2.073 255 R HA -0.172 4.171 4.340 0.005 0.000 0.234 255 R C 1.368 177.730 176.300 0.103 0.000 1.134 255 R CA 1.888 58.017 56.100 0.048 0.000 0.952 255 R CB -0.365 29.955 30.300 0.033 0.000 0.850 255 R HN 0.442 nan 8.270 nan 0.000 0.433 256 D N 0.417 120.892 120.400 0.125 0.000 2.117 256 D HA -0.133 4.509 4.640 0.005 0.000 0.197 256 D C 1.917 178.352 176.300 0.224 0.000 0.987 256 D CA 1.146 55.253 54.000 0.179 0.000 0.829 256 D CB -0.136 40.769 40.800 0.176 0.000 0.961 256 D HN 0.308 nan 8.370 nan 0.000 0.460 257 I N 0.400 121.098 120.570 0.214 0.000 2.179 257 I HA -0.242 3.931 4.170 0.005 0.000 0.242 257 I C 2.578 178.846 176.117 0.252 0.000 1.088 257 I CA 0.885 62.325 61.300 0.233 0.000 1.357 257 I CB -0.138 37.927 38.000 0.108 0.000 1.051 257 I HN -0.068 nan 8.210 nan 0.000 0.409 258 R N 0.878 121.511 120.500 0.222 0.000 2.073 258 R HA -0.241 4.102 4.340 0.005 0.000 0.234 258 R C 2.105 178.517 176.300 0.187 0.000 1.134 258 R CA 2.202 58.420 56.100 0.198 0.000 0.952 258 R CB -0.295 30.046 30.300 0.067 0.000 0.850 258 R HN 0.257 nan 8.270 nan 0.000 0.433 259 D N -0.438 120.065 120.400 0.171 0.000 2.092 259 D HA -0.156 4.487 4.640 0.005 0.000 0.193 259 D C 1.815 178.225 176.300 0.184 0.000 0.994 259 D CA 2.426 56.524 54.000 0.163 0.000 0.828 259 D CB -0.288 40.616 40.800 0.173 0.000 0.963 259 D HN 0.438 nan 8.370 nan 0.000 0.450 260 T N -1.982 112.712 114.554 0.233 0.000 2.777 260 T HA -0.133 4.220 4.350 0.005 0.000 0.266 260 T C 2.171 176.943 174.700 0.120 0.000 1.040 260 T CA 0.877 63.110 62.100 0.222 0.000 1.141 260 T CB -0.994 68.066 68.868 0.319 0.000 0.868 260 T HN 0.053 nan 8.240 nan 0.000 0.444 261 F N 2.522 122.428 119.950 -0.074 0.000 2.126 261 F HA 0.140 4.669 4.527 0.004 0.000 0.299 261 F C 2.985 178.776 175.800 -0.014 0.000 1.096 261 F CA 0.718 58.625 58.000 -0.156 0.000 1.255 261 F CB -1.018 37.880 39.000 -0.169 0.000 0.997 261 F HN 0.261 nan 8.300 nan 0.000 0.479 262 A N -0.075 122.864 122.820 0.198 0.000 1.940 262 A HA -0.216 4.107 4.320 0.005 0.000 0.219 262 A C 2.204 179.849 177.584 0.103 0.000 1.176 262 A CA 1.646 53.766 52.037 0.139 0.000 0.631 262 A CB -0.671 18.403 19.000 0.123 0.000 0.814 262 A HN 0.350 nan 8.150 nan 0.000 0.446 263 R N -1.061 119.494 120.500 0.092 0.000 2.323 263 R HA 0.174 4.517 4.340 0.005 0.000 0.198 263 R C 0.835 177.161 176.300 0.044 0.000 0.988 263 R CA 0.631 56.766 56.100 0.058 0.000 1.041 263 R CB -0.086 30.252 30.300 0.064 0.000 0.926 263 R HN 0.535 nan 8.270 nan 0.000 0.476 264 M N -0.711 118.936 119.600 0.077 0.000 2.484 264 M HA 0.290 4.773 4.480 0.005 0.000 0.307 264 M C 0.318 176.740 176.300 0.204 0.000 1.149 264 M CA -0.090 55.306 55.300 0.160 0.000 0.972 264 M CB 1.234 33.940 32.600 0.177 0.000 1.400 264 M HN 0.123 nan 8.290 nan 0.000 0.508 265 A N 0.385 123.294 122.820 0.147 0.000 3.028 265 A HA -0.134 4.189 4.320 0.005 0.000 0.248 265 A C 0.053 177.694 177.584 0.094 0.000 1.316 265 A CA 0.777 52.897 52.037 0.138 0.000 1.003 265 A CB -1.486 17.626 19.000 0.187 0.000 1.148 265 A HN 0.474 nan 8.150 nan 0.000 0.828 266 M N 1.049 120.719 119.600 0.116 0.000 2.294 266 M HA 0.390 4.873 4.480 0.005 0.000 0.335 266 M C 0.457 176.855 176.300 0.164 0.000 1.079 266 M CA -0.669 54.715 55.300 0.141 0.000 0.982 266 M CB 1.190 33.930 32.600 0.233 0.000 1.651 266 M HN 0.673 nan 8.290 nan 0.000 0.437 267 N N 1.410 120.193 118.700 0.137 0.000 2.418 267 N HA 0.170 4.913 4.740 0.005 0.000 0.283 267 N C 0.175 175.770 175.510 0.142 0.000 1.267 267 N CA -0.184 52.945 53.050 0.133 0.000 0.975 267 N CB 0.424 38.980 38.487 0.115 0.000 1.167 267 N HN 0.368 nan 8.380 nan 0.000 0.581 268 D N -0.684 119.805 120.400 0.148 0.000 2.097 268 D HA -0.183 4.460 4.640 0.005 0.000 0.195 268 D C 1.420 177.802 176.300 0.137 0.000 0.989 268 D CA 1.414 55.543 54.000 0.216 0.000 0.827 268 D CB -0.280 40.634 40.800 0.190 0.000 0.966 268 D HN 0.823 nan 8.370 nan 0.000 0.456 269 E N 0.537 120.808 120.200 0.119 0.000 2.077 269 E HA -0.200 4.153 4.350 0.005 0.000 0.193 269 E C 1.724 178.459 176.600 0.225 0.000 0.989 269 E CA 1.089 57.578 56.400 0.148 0.000 0.800 269 E CB 0.102 29.906 29.700 0.173 0.000 0.746 269 E HN 0.310 nan 8.360 nan 0.000 0.452 270 E N -0.496 119.808 120.200 0.173 0.000 2.106 270 E HA -0.122 4.231 4.350 0.005 0.000 0.192 270 E C 2.104 178.770 176.600 0.110 0.000 0.984 270 E CA 1.529 58.031 56.400 0.170 0.000 0.806 270 E CB 0.025 29.807 29.700 0.136 0.000 0.750 270 E HN 0.234 nan 8.360 nan 0.000 0.458 271 T N 0.752 115.309 114.554 0.004 0.000 2.708 271 T HA -0.126 4.227 4.350 0.005 0.000 0.266 271 T C 2.110 176.564 174.700 -0.410 0.000 1.037 271 T CA 1.124 63.036 62.100 -0.313 0.000 1.146 271 T CB -0.195 68.398 68.868 -0.458 0.000 0.865 271 T HN -0.025 nan 8.240 nan 0.000 0.435 272 V N 1.772 121.520 119.914 -0.278 0.000 2.343 272 V HA -0.153 3.970 4.120 0.005 0.000 0.247 272 V C 2.905 179.037 176.094 0.063 0.000 1.051 272 V CA 1.632 63.806 62.300 -0.210 0.000 1.036 272 V CB -1.271 30.485 31.823 -0.113 0.000 0.654 272 V HN 0.523 nan 8.190 nan 0.000 0.451 273 A N -0.240 122.777 122.820 0.328 0.000 1.908 273 A HA -0.189 4.133 4.320 0.005 0.000 0.218 273 A C 2.251 179.887 177.584 0.086 0.000 1.181 273 A CA 1.970 54.237 52.037 0.384 0.000 0.627 273 A CB -0.553 18.688 19.000 0.402 0.000 0.818 273 A HN 0.494 nan 8.150 nan 0.000 0.445 274 L N -0.925 120.322 121.223 0.039 0.000 2.027 274 L HA -0.141 4.202 4.340 0.005 0.000 0.206 274 L C 2.521 179.144 176.870 -0.412 0.000 1.074 274 L CA 1.305 56.137 54.840 -0.013 0.000 0.745 274 L CB -0.414 41.683 42.059 0.065 0.000 0.898 274 L HN 0.383 nan 8.230 nan 0.000 0.433 275 I N -0.412 119.831 120.570 -0.546 0.000 2.286 275 I HA -0.214 3.959 4.170 0.005 0.000 0.245 275 I C 2.709 178.165 176.117 -1.101 0.000 1.104 275 I CA 1.087 61.891 61.300 -0.827 0.000 1.397 275 I CB -0.373 37.182 38.000 -0.742 0.000 1.072 275 I HN 0.157 nan 8.210 nan 0.000 0.417 276 A N 0.751 122.973 122.820 -0.997 0.000 1.968 276 A HA -0.033 4.290 4.320 0.005 0.000 0.217 276 A C 2.390 179.340 177.584 -1.058 0.000 1.169 276 A CA 1.577 52.680 52.037 -1.556 0.000 0.638 276 A CB -1.242 16.875 19.000 -1.471 0.000 0.812 276 A HN 0.449 nan 8.150 nan 0.000 0.446 277 G N -0.284 107.978 108.800 -0.898 0.000 2.404 277 G HA2 0.045 4.008 3.960 0.005 0.000 0.215 277 G HA3 0.045 4.008 3.960 0.005 0.000 0.215 277 G C 1.551 175.850 174.900 -1.002 0.000 1.174 277 G CA 1.197 45.356 45.100 -1.569 0.000 0.780 277 G HN 0.649 nan 8.290 nan 0.000 0.537 278 G N -0.055 108.283 108.800 -0.770 0.000 2.446 278 G HA2 -0.203 3.760 3.960 0.005 0.000 0.217 278 G HA3 -0.203 3.760 3.960 0.005 0.000 0.217 278 G C 1.431 176.182 174.900 -0.249 0.000 1.168 278 G CA 0.896 45.826 45.100 -0.284 0.000 0.771 278 G HN 0.660 nan 8.290 nan 0.000 0.551 279 H N -0.140 118.422 119.070 -0.848 0.000 2.543 279 H HA 0.122 4.681 4.556 0.005 0.000 0.269 279 H C 2.007 176.893 175.328 -0.735 0.000 1.005 279 H CA 0.147 55.428 56.048 -1.278 0.000 1.146 279 H CB 0.347 28.907 29.762 -2.004 0.000 1.353 279 H HN 0.237 nan 8.280 nan 0.000 0.595 280 T N 0.463 114.698 114.554 -0.533 0.000 3.007 280 T HA -0.062 4.291 4.350 0.005 0.000 0.270 280 T C 0.024 174.379 174.700 -0.575 0.000 1.107 280 T CA 0.945 62.704 62.100 -0.568 0.000 1.118 280 T CB -0.064 68.274 68.868 -0.883 0.000 0.889 280 T HN 0.104 nan 8.240 nan 0.000 0.506 281 F N -0.133 119.822 119.950 0.009 0.000 2.546 281 F HA 0.591 5.121 4.527 0.005 0.000 0.320 281 F C 1.138 177.082 175.800 0.241 0.000 1.076 281 F CA -0.641 57.406 58.000 0.080 0.000 0.928 281 F CB 1.454 40.486 39.000 0.053 0.000 1.189 281 F HN 0.190 nan 8.300 nan 0.000 0.465 282 G N 2.229 111.254 108.800 0.375 0.000 2.598 282 G HA2 -0.052 3.911 3.960 0.005 0.000 0.244 282 G HA3 -0.052 3.911 3.960 0.005 0.000 0.244 282 G C -1.096 174.059 174.900 0.425 0.000 1.302 282 G CA -0.010 45.342 45.100 0.419 0.000 0.903 282 G HN 1.084 nan 8.290 nan 0.000 0.575 283 K N -1.912 118.680 120.400 0.320 0.000 2.578 283 K HA 0.730 5.053 4.320 0.005 0.000 0.287 283 K C -0.057 176.392 176.600 -0.251 0.000 1.010 283 K CA -0.153 56.053 56.287 -0.136 0.000 0.889 283 K CB 1.239 33.669 32.500 -0.117 0.000 1.514 283 K HN 1.414 nan 8.250 nan 0.000 0.424 284 T N -1.456 112.802 114.554 -0.494 0.000 2.897 284 T HA 0.454 4.807 4.350 0.005 0.000 0.278 284 T C -0.688 173.651 174.700 -0.601 0.000 0.981 284 T CA -0.404 61.509 62.100 -0.311 0.000 0.973 284 T CB 0.586 69.330 68.868 -0.207 0.000 1.092 284 T HN 0.657 nan 8.240 nan 0.000 0.543 285 H N -1.201 117.858 119.070 -0.019 0.000 2.906 285 H HA 0.609 5.168 4.556 0.005 0.000 0.324 285 H C 0.227 175.536 175.328 -0.032 0.000 0.973 285 H CA -0.574 55.466 56.048 -0.013 0.000 1.321 285 H CB 1.518 31.310 29.762 0.050 0.000 1.535 285 H HN 1.063 nan 8.280 nan 0.000 0.518 286 G N 1.327 110.126 108.800 -0.002 0.000 4.341 286 G HA2 0.417 4.380 3.960 0.005 0.000 0.251 286 G HA3 0.417 4.380 3.960 0.005 0.000 0.251 286 G C 0.684 175.526 174.900 -0.097 0.000 1.036 286 G CA 0.079 45.152 45.100 -0.046 0.000 0.708 286 G HN 0.716 nan 8.290 nan 0.000 0.510 287 A N -0.224 122.551 122.820 -0.074 0.000 2.067 287 A HA 0.637 4.960 4.320 0.005 0.000 0.217 287 A C 1.392 178.774 177.584 -0.337 0.000 1.156 287 A CA 1.386 53.379 52.037 -0.073 0.000 0.683 287 A CB 0.155 19.226 19.000 0.119 0.000 0.808 287 A HN 1.380 nan 8.150 nan 0.000 0.455 288 G N -2.126 106.321 108.800 -0.588 0.000 2.645 288 G HA2 0.507 4.470 3.960 0.005 0.000 0.292 288 G HA3 0.507 4.470 3.960 0.005 0.000 0.292 288 G C -3.507 171.103 174.900 -0.482 0.000 1.415 288 G CA -1.185 43.361 45.100 -0.923 0.000 0.785 288 G HN -0.109 nan 8.290 nan 0.000 0.483 289 P HA 0.252 nan 4.420 nan 0.000 0.265 289 P C 0.809 178.039 177.300 -0.116 0.000 1.193 289 P CA 0.559 63.551 63.100 -0.180 0.000 0.765 289 P CB 1.199 32.827 31.700 -0.120 0.000 0.823 290 A N 3.155 125.932 122.820 -0.071 0.000 2.070 290 A HA -0.165 4.158 4.320 0.005 0.000 0.220 290 A C 2.049 179.637 177.584 0.007 0.000 1.159 290 A CA 1.920 53.942 52.037 -0.025 0.000 0.656 290 A CB -1.475 17.515 19.000 -0.017 0.000 0.800 290 A HN 0.598 nan 8.150 nan 0.000 0.453 291 S N 0.400 116.100 115.700 -0.001 0.000 2.469 291 S HA -0.153 4.320 4.470 0.005 0.000 0.238 291 S C 1.506 176.128 174.600 0.038 0.000 0.998 291 S CA 1.080 59.291 58.200 0.019 0.000 0.957 291 S CB -0.652 62.554 63.200 0.010 0.000 0.764 291 S HN 0.617 nan 8.310 nan 0.000 0.514 292 N N 1.286 120.012 118.700 0.042 0.000 2.381 292 N HA 0.016 4.758 4.740 0.005 0.000 0.182 292 N C -0.015 175.553 175.510 0.097 0.000 1.025 292 N CA 0.584 53.684 53.050 0.083 0.000 0.888 292 N CB -0.172 38.388 38.487 0.123 0.000 0.965 292 N HN 0.326 nan 8.380 nan 0.000 0.438 293 V N 1.151 121.122 119.914 0.095 0.000 2.461 293 V HA 0.343 4.466 4.120 0.005 0.000 0.275 293 V C 1.156 177.321 176.094 0.118 0.000 1.047 293 V CA -0.641 61.739 62.300 0.133 0.000 0.955 293 V CB 1.009 32.927 31.823 0.160 0.000 0.988 293 V HN 0.093 nan 8.190 nan 0.000 0.471 294 G N 3.111 111.973 108.800 0.102 0.000 2.509 294 G HA2 0.570 4.533 3.960 0.005 0.000 0.269 294 G HA3 0.570 4.533 3.960 0.005 0.000 0.269 294 G C 0.219 175.108 174.900 -0.020 0.000 1.416 294 G CA -0.186 44.937 45.100 0.040 0.000 1.052 294 G HN 1.073 nan 8.290 nan 0.000 0.542 295 A N 0.015 122.778 122.820 -0.095 0.000 2.540 295 A HA 0.394 4.716 4.320 0.005 0.000 0.239 295 A C 0.968 178.276 177.584 -0.460 0.000 1.061 295 A CA -0.056 51.864 52.037 -0.195 0.000 0.758 295 A CB -0.052 18.856 19.000 -0.154 0.000 0.991 295 A HN 0.720 nan 8.150 nan 0.000 0.502 296 E N 2.924 122.748 120.200 -0.626 0.000 2.409 296 E HA 0.052 4.405 4.350 0.005 0.000 0.257 296 E C -2.155 173.934 176.600 -0.851 0.000 1.150 296 E CA -1.095 54.582 56.400 -1.204 0.000 0.942 296 E CB -0.319 28.906 29.700 -0.792 0.000 0.979 296 E HN 0.341 nan 8.360 nan 0.000 0.447 297 P HA -0.187 nan 4.420 nan 0.000 0.215 297 P C 0.989 178.087 177.300 -0.337 0.000 1.157 297 P CA 1.467 64.236 63.100 -0.552 0.000 0.874 297 P CB 0.154 31.559 31.700 -0.492 0.000 0.790 298 E N -1.070 118.962 120.200 -0.279 0.000 2.333 298 E HA -0.066 4.287 4.350 0.005 0.000 0.198 298 E C 1.649 178.175 176.600 -0.124 0.000 1.007 298 E CA 1.043 57.352 56.400 -0.152 0.000 0.845 298 E CB -0.397 29.256 29.700 -0.078 0.000 0.766 298 E HN 0.237 nan 8.360 nan 0.000 0.507 299 A N 0.417 123.138 122.820 -0.166 0.000 2.343 299 A HA 0.439 4.762 4.320 0.005 0.000 0.223 299 A C 1.182 178.688 177.584 -0.131 0.000 1.214 299 A CA 0.325 52.291 52.037 -0.119 0.000 0.900 299 A CB 0.297 19.237 19.000 -0.100 0.000 0.942 299 A HN 0.139 nan 8.150 nan 0.000 0.507 300 A N 0.125 122.839 122.820 -0.176 0.000 2.332 300 A HA 0.548 4.871 4.320 0.005 0.000 0.258 300 A C 0.987 178.504 177.584 -0.112 0.000 1.087 300 A CA 0.169 52.114 52.037 -0.154 0.000 0.802 300 A CB -0.341 18.541 19.000 -0.196 0.000 1.042 300 A HN 0.876 nan 8.150 nan 0.000 0.489 301 G N -0.487 108.260 108.800 -0.089 0.000 2.630 301 G HA2 0.294 4.257 3.960 0.005 0.000 0.236 301 G HA3 0.294 4.257 3.960 0.005 0.000 0.236 301 G C 0.919 175.773 174.900 -0.077 0.000 1.248 301 G CA -0.315 44.742 45.100 -0.071 0.000 0.844 301 G HN 0.723 nan 8.290 nan 0.000 0.588 302 I N 0.590 121.121 120.570 -0.064 0.000 2.315 302 I HA -0.174 3.999 4.170 0.005 0.000 0.251 302 I C 2.795 178.870 176.117 -0.069 0.000 1.125 302 I CA 1.707 62.968 61.300 -0.065 0.000 1.392 302 I CB -0.014 37.955 38.000 -0.051 0.000 1.065 302 I HN 0.754 nan 8.210 nan 0.000 0.424 303 E N 1.472 121.634 120.200 -0.062 0.000 2.338 303 E HA -0.161 4.192 4.350 0.005 0.000 0.197 303 E C 1.791 178.345 176.600 -0.076 0.000 1.007 303 E CA 1.171 57.534 56.400 -0.061 0.000 0.849 303 E CB -0.303 29.369 29.700 -0.046 0.000 0.774 303 E HN 0.447 nan 8.360 nan 0.000 0.506 304 A N 0.969 123.736 122.820 -0.089 0.000 2.168 304 A HA -0.095 4.228 4.320 0.005 0.000 0.215 304 A C 0.834 178.337 177.584 -0.135 0.000 1.152 304 A CA 0.448 52.420 52.037 -0.109 0.000 0.716 304 A CB -0.232 18.695 19.000 -0.121 0.000 0.794 304 A HN 0.170 nan 8.150 nan 0.000 0.465 305 Q N -2.193 117.531 119.800 -0.127 0.000 2.439 305 Q HA -0.261 4.082 4.340 0.005 0.000 0.325 305 Q C 0.959 176.856 176.000 -0.173 0.000 1.372 305 Q CA 1.258 56.976 55.803 -0.142 0.000 0.909 305 Q CB -2.305 26.348 28.738 -0.142 0.000 1.167 305 Q HN 1.720 nan 8.270 nan 0.000 0.418 306 G N -1.636 107.060 108.800 -0.172 0.000 2.195 306 G HA2 -0.291 3.671 3.960 0.005 0.000 0.246 306 G HA3 -0.291 3.671 3.960 0.005 0.000 0.246 306 G C 0.216 174.988 174.900 -0.213 0.000 0.984 306 G CA 0.298 45.281 45.100 -0.195 0.000 0.633 306 G HN 0.326 nan 8.290 nan 0.000 0.525 307 L N -0.022 121.078 121.223 -0.204 0.000 2.365 307 L HA 0.821 5.164 4.340 0.005 0.000 0.267 307 L C 1.041 177.772 176.870 -0.233 0.000 1.033 307 L CA -0.335 54.387 54.840 -0.196 0.000 0.802 307 L CB 1.597 43.553 42.059 -0.171 0.000 1.267 307 L HN 0.303 nan 8.230 nan 0.000 0.457 308 G N -2.271 106.384 108.800 -0.242 0.000 2.870 308 G HA2 0.389 4.352 3.960 0.005 0.000 0.299 308 G HA3 0.389 4.352 3.960 0.005 0.000 0.299 308 G C -1.322 173.524 174.900 -0.091 0.000 1.324 308 G CA -0.461 44.416 45.100 -0.372 0.000 0.808 308 G HN 0.707 nan 8.290 nan 0.000 0.535 309 W N 0.109 121.357 121.300 -0.086 0.000 5.121 309 W HA -0.165 4.498 4.660 0.005 0.000 0.372 309 W C 0.751 177.260 176.519 -0.016 0.000 1.394 309 W CA 0.860 58.169 57.345 -0.059 0.000 0.885 309 W CB -1.154 28.255 29.460 -0.084 0.000 2.520 309 W HN 0.605 nan 8.180 nan 0.000 1.455 310 K N 1.672 122.143 120.400 0.118 0.000 2.472 310 K HA 0.189 4.512 4.320 0.005 0.000 0.280 310 K C 0.556 177.240 176.600 0.141 0.000 1.028 310 K CA 0.543 56.900 56.287 0.117 0.000 1.045 310 K CB 0.662 33.193 32.500 0.053 0.000 0.902 310 K HN -0.019 nan 8.250 nan 0.000 0.478 311 S N 2.954 118.758 115.700 0.173 0.000 2.475 311 S HA 0.491 4.964 4.470 0.005 0.000 0.298 311 S C 0.345 175.029 174.600 0.139 0.000 1.119 311 S CA -0.438 57.863 58.200 0.169 0.000 1.085 311 S CB 1.579 64.906 63.200 0.212 0.000 1.028 311 S HN 0.680 nan 8.310 nan 0.000 0.489 312 A N 4.047 126.943 122.820 0.127 0.000 2.275 312 A HA 0.230 4.553 4.320 0.005 0.000 0.212 312 A C 0.108 177.765 177.584 0.121 0.000 1.201 312 A CA -0.075 52.021 52.037 0.099 0.000 0.843 312 A CB -0.367 18.680 19.000 0.078 0.000 0.873 312 A HN 0.838 nan 8.150 nan 0.000 0.492 313 Y N 2.261 122.578 120.300 0.028 0.000 2.531 313 Y HA 0.359 4.912 4.550 0.005 0.000 0.347 313 Y C 1.021 176.919 175.900 -0.003 0.000 1.024 313 Y CA -0.530 57.576 58.100 0.011 0.000 1.306 313 Y CB -0.346 38.121 38.460 0.012 0.000 1.149 313 Y HN 0.557 nan 8.280 nan 0.000 0.527 314 R N 0.597 120.790 120.500 -0.513 0.000 3.772 314 R HA -0.343 3.999 4.340 0.005 0.000 0.480 314 R C 1.619 177.793 176.300 -0.211 0.000 0.241 314 R CA 2.550 58.386 56.100 -0.441 0.000 1.508 314 R CB -1.707 28.184 30.300 -0.682 0.000 0.956 314 R HN 0.775 nan 8.270 nan 0.000 0.583 315 T N -0.995 113.444 114.554 -0.192 0.000 3.035 315 T HA 0.155 4.508 4.350 0.005 0.000 0.268 315 T C 1.442 176.116 174.700 -0.042 0.000 1.109 315 T CA 1.401 63.434 62.100 -0.111 0.000 1.119 315 T CB 0.137 68.918 68.868 -0.145 0.000 0.900 315 T HN 1.276 nan 8.240 nan 0.000 0.503 316 G N 1.794 110.585 108.800 -0.015 0.000 2.159 316 G HA2 -0.236 3.727 3.960 0.005 0.000 0.256 316 G HA3 -0.236 3.727 3.960 0.005 0.000 0.256 316 G C -0.066 174.904 174.900 0.118 0.000 0.977 316 G CA 0.523 45.681 45.100 0.097 0.000 0.652 316 G HN 1.045 nan 8.290 nan 0.000 0.531 317 K N -2.256 118.097 120.400 -0.080 0.000 2.672 317 K HA 0.619 4.942 4.320 0.005 0.000 0.295 317 K C 1.189 177.460 176.600 -0.549 0.000 1.042 317 K CA -0.054 56.002 56.287 -0.385 0.000 0.869 317 K CB 0.829 33.184 32.500 -0.241 0.000 1.541 317 K HN 1.718 nan 8.250 nan 0.000 0.396 318 G N 0.867 109.173 108.800 -0.824 0.000 2.665 318 G HA2 -0.472 3.491 3.960 0.005 0.000 0.326 318 G HA3 -0.472 3.491 3.960 0.005 0.000 0.326 318 G C 1.132 175.578 174.900 -0.756 0.000 1.231 318 G CA 2.035 46.606 45.100 -0.881 0.000 0.992 318 G HN 1.364 nan 8.290 nan 0.000 0.549 319 A N -0.700 121.433 122.820 -1.145 0.000 2.070 319 A HA 0.127 4.450 4.320 0.005 0.000 0.220 319 A C 1.782 179.260 177.584 -0.176 0.000 1.159 319 A CA 2.386 54.143 52.037 -0.467 0.000 0.656 319 A CB -0.264 18.497 19.000 -0.398 0.000 0.800 319 A HN 0.575 nan 8.150 nan 0.000 0.453 320 D N -0.099 120.182 120.400 -0.200 0.000 2.340 320 D HA 0.328 4.971 4.640 0.005 0.000 0.217 320 D C 0.752 177.103 176.300 0.086 0.000 1.081 320 D CA 0.577 54.582 54.000 0.008 0.000 0.842 320 D CB -0.087 40.669 40.800 -0.074 0.000 0.934 320 D HN 0.420 nan 8.370 nan 0.000 0.511 321 A N 0.889 123.695 122.820 -0.023 0.000 2.520 321 A HA 0.267 4.590 4.320 0.005 0.000 0.235 321 A C 0.244 177.923 177.584 0.158 0.000 1.065 321 A CA 0.362 52.415 52.037 0.026 0.000 0.764 321 A CB 0.135 19.058 19.000 -0.130 0.000 1.002 321 A HN 0.193 nan 8.150 nan 0.000 0.502 322 I N 2.164 122.844 120.570 0.184 0.000 2.468 322 I HA 0.284 4.457 4.170 0.005 0.000 0.285 322 I C 0.509 176.696 176.117 0.117 0.000 1.039 322 I CA -0.229 61.148 61.300 0.129 0.000 1.074 322 I CB 2.271 40.312 38.000 0.068 0.000 1.228 322 I HN 0.791 nan 8.210 nan 0.000 0.436 323 T N 1.109 115.722 114.554 0.099 0.000 3.397 323 T HA -0.006 4.347 4.350 0.005 0.000 0.233 323 T C 1.621 176.286 174.700 -0.059 0.000 0.969 323 T CA 0.985 63.079 62.100 -0.009 0.000 1.316 323 T CB 0.160 69.062 68.868 0.058 0.000 1.175 323 T HN 0.683 nan 8.240 nan 0.000 0.381 324 T N -0.986 113.575 114.554 0.012 0.000 3.051 324 T HA 0.422 4.775 4.350 0.005 0.000 0.255 324 T C 1.811 176.509 174.700 -0.003 0.000 1.085 324 T CA 1.046 63.148 62.100 0.002 0.000 1.109 324 T CB 0.121 69.020 68.868 0.052 0.000 0.921 324 T HN 0.690 nan 8.240 nan 0.000 0.488 325 G N 1.138 109.935 108.800 -0.005 0.000 2.194 325 G HA2 -0.182 3.781 3.960 0.005 0.000 0.236 325 G HA3 -0.182 3.781 3.960 0.005 0.000 0.236 325 G C -0.094 174.777 174.900 -0.049 0.000 0.987 325 G CA -0.052 45.027 45.100 -0.036 0.000 0.635 325 G HN 0.590 nan 8.290 nan 0.000 0.520 326 L N 0.469 121.673 121.223 -0.031 0.000 2.395 326 L HA 0.679 5.022 4.340 0.005 0.000 0.269 326 L C 0.486 177.289 176.870 -0.112 0.000 1.133 326 L CA -0.480 54.327 54.840 -0.056 0.000 0.812 326 L CB 1.405 43.453 42.059 -0.019 0.000 1.125 326 L HN 0.142 nan 8.230 nan 0.000 0.452 327 E N 2.156 122.265 120.200 -0.152 0.000 2.795 327 E HA 0.415 4.768 4.350 0.005 0.000 0.226 327 E C -1.690 174.742 176.600 -0.280 0.000 1.088 327 E CA -0.196 56.074 56.400 -0.217 0.000 0.812 327 E CB 0.947 30.536 29.700 -0.185 0.000 1.328 327 E HN 0.222 nan 8.360 nan 0.000 0.410 328 V N 2.925 122.599 119.914 -0.399 0.000 2.531 328 V HA 0.543 4.666 4.120 0.005 0.000 0.301 328 V C -0.357 175.262 176.094 -0.792 0.000 1.034 328 V CA -0.685 61.287 62.300 -0.547 0.000 0.865 328 V CB 2.279 33.738 31.823 -0.606 0.000 0.995 328 V HN 0.541 nan 8.190 nan 0.000 0.424 329 T N 4.560 118.759 114.554 -0.592 0.000 2.792 329 T HA 0.317 4.670 4.350 0.005 0.000 0.280 329 T C 0.477 174.970 174.700 -0.345 0.000 0.990 329 T CA -0.398 61.413 62.100 -0.481 0.000 0.960 329 T CB 1.134 69.923 68.868 -0.133 0.000 0.939 329 T HN 0.712 nan 8.240 nan 0.000 0.439 330 W N 2.474 123.765 121.300 -0.016 0.000 2.494 330 W HA 0.040 4.703 4.660 0.005 0.000 0.286 330 W C 1.395 177.902 176.519 -0.020 0.000 1.218 330 W CA 0.475 57.816 57.345 -0.006 0.000 1.313 330 W CB -0.378 29.133 29.460 0.084 0.000 1.105 330 W HN 0.601 nan 8.180 nan 0.000 0.561 331 T N -3.478 111.178 114.554 0.171 0.000 2.926 331 T HA 0.286 4.639 4.350 0.005 0.000 0.289 331 T C 0.998 175.691 174.700 -0.011 0.000 1.054 331 T CA 0.059 62.191 62.100 0.055 0.000 1.015 331 T CB 2.176 71.032 68.868 -0.020 0.000 1.167 331 T HN -0.047 nan 8.240 nan 0.000 0.526 332 T N -1.612 112.931 114.554 -0.018 0.000 3.072 332 T HA 0.101 4.454 4.350 0.005 0.000 0.266 332 T C 0.997 175.647 174.700 -0.084 0.000 1.127 332 T CA 0.889 62.970 62.100 -0.031 0.000 1.107 332 T CB -0.800 68.064 68.868 -0.006 0.000 0.910 332 T HN 1.052 nan 8.240 nan 0.000 0.513 333 T N -1.006 113.474 114.554 -0.125 0.000 3.317 333 T HA 0.492 4.845 4.350 0.005 0.000 0.361 333 T C -2.664 171.901 174.700 -0.225 0.000 1.499 333 T CA -1.531 60.469 62.100 -0.167 0.000 1.529 333 T CB 1.606 70.403 68.868 -0.118 0.000 0.997 333 T HN -0.110 nan 8.240 nan 0.000 0.624 334 P HA -0.015 nan 4.420 nan 0.000 0.228 334 P C 1.357 178.533 177.300 -0.206 0.000 1.151 334 P CA 0.889 63.765 63.100 -0.373 0.000 0.770 334 P CB -0.007 31.156 31.700 -0.894 0.000 0.786 335 T N -5.436 108.987 114.554 -0.218 0.000 3.176 335 T HA 0.275 4.628 4.350 0.005 0.000 0.263 335 T C 0.320 175.016 174.700 -0.006 0.000 1.021 335 T CA -0.299 61.724 62.100 -0.128 0.000 0.905 335 T CB -0.321 68.426 68.868 -0.200 0.000 1.057 335 T HN 0.051 nan 8.240 nan 0.000 0.558 336 Q N 0.477 120.312 119.800 0.060 0.000 2.331 336 Q HA 0.291 4.634 4.340 0.005 0.000 0.272 336 Q C -1.242 174.836 176.000 0.129 0.000 1.062 336 Q CA -0.942 54.949 55.803 0.146 0.000 0.806 336 Q CB 1.982 30.751 28.738 0.051 0.000 1.312 336 Q HN 0.530 nan 8.270 nan 0.000 0.431 337 W N 3.488 124.881 121.300 0.154 0.000 2.343 337 W HA 0.121 4.784 4.660 0.005 0.000 0.337 337 W C -0.554 175.902 176.519 -0.106 0.000 1.320 337 W CA 1.317 58.665 57.345 0.004 0.000 1.290 337 W CB 0.617 30.242 29.460 0.275 0.000 1.206 337 W HN 0.760 nan 8.180 nan 0.000 0.565 338 S N 3.586 118.629 115.700 -1.096 0.000 2.643 338 S HA 0.332 4.805 4.470 0.005 0.000 0.270 338 S C -0.858 173.174 174.600 -0.948 0.000 1.166 338 S CA -0.882 56.803 58.200 -0.858 0.000 0.815 338 S CB 1.656 64.590 63.200 -0.443 0.000 1.139 338 S HN 0.609 nan 8.310 nan 0.000 0.472 339 H N 0.325 119.191 119.070 -0.340 0.000 2.488 339 H HA 0.420 4.979 4.556 0.005 0.000 0.294 339 H C 1.388 176.713 175.328 -0.004 0.000 1.088 339 H CA -0.272 55.712 56.048 -0.105 0.000 1.086 339 H CB 0.025 29.826 29.762 0.066 0.000 1.569 339 H HN 0.645 nan 8.280 nan 0.000 0.548 340 N N 0.514 119.199 118.700 -0.024 0.000 2.409 340 N HA -0.127 4.616 4.740 0.005 0.000 0.179 340 N C 1.438 176.959 175.510 0.017 0.000 1.032 340 N CA 0.172 53.230 53.050 0.014 0.000 0.898 340 N CB 0.130 38.595 38.487 -0.036 0.000 0.971 340 N HN 0.247 nan 8.380 nan 0.000 0.441 341 F N 1.094 120.935 119.950 -0.182 0.000 2.046 341 F HA -0.161 4.369 4.527 0.005 0.000 0.297 341 F C 1.603 177.232 175.800 -0.285 0.000 1.123 341 F CA 1.742 59.560 58.000 -0.304 0.000 1.199 341 F CB -0.600 38.036 39.000 -0.606 0.000 0.972 341 F HN -0.030 nan 8.300 nan 0.000 0.474 342 F N 0.471 120.429 119.950 0.012 0.000 2.259 342 F HA -0.096 4.434 4.527 0.005 0.000 0.298 342 F C 2.327 177.967 175.800 -0.267 0.000 1.088 342 F CA 1.035 58.952 58.000 -0.137 0.000 1.358 342 F CB -0.511 38.498 39.000 0.016 0.000 1.040 342 F HN 0.017 nan 8.300 nan 0.000 0.505 343 E N 0.439 120.677 120.200 0.065 0.000 2.070 343 E HA -0.234 4.119 4.350 0.005 0.000 0.197 343 E C 1.831 178.428 176.600 -0.004 0.000 1.004 343 E CA 1.508 57.944 56.400 0.060 0.000 0.805 343 E CB -0.212 29.578 29.700 0.151 0.000 0.744 343 E HN 0.359 nan 8.360 nan 0.000 0.451 344 N N 0.690 119.406 118.700 0.027 0.000 2.106 344 N HA -0.132 4.611 4.740 0.005 0.000 0.188 344 N C 1.868 177.536 175.510 0.264 0.000 1.029 344 N CA 0.549 53.724 53.050 0.208 0.000 0.848 344 N CB -0.491 38.165 38.487 0.282 0.000 1.007 344 N HN 0.052 nan 8.380 nan 0.000 0.423 345 L N 0.272 121.429 121.223 -0.109 0.000 2.021 345 L HA -0.120 4.223 4.340 0.005 0.000 0.215 345 L C 1.677 178.479 176.870 -0.113 0.000 1.074 345 L CA 1.726 56.412 54.840 -0.256 0.000 0.760 345 L CB -0.704 40.910 42.059 -0.741 0.000 0.889 345 L HN 0.090 nan 8.230 nan 0.000 0.433 346 F N -1.486 118.427 119.950 -0.062 0.000 2.664 346 F HA 0.160 4.689 4.527 0.004 0.000 0.296 346 F C 2.222 177.961 175.800 -0.101 0.000 1.125 346 F CA 0.515 58.452 58.000 -0.105 0.000 1.444 346 F CB -0.374 38.480 39.000 -0.244 0.000 1.114 346 F HN 0.169 nan 8.300 nan 0.000 0.576 347 G N -1.391 107.396 108.800 -0.021 0.000 2.683 347 G HA2 0.009 3.972 3.960 0.005 0.000 0.213 347 G HA3 0.009 3.972 3.960 0.005 0.000 0.213 347 G C -0.093 174.474 174.900 -0.555 0.000 1.142 347 G CA 0.220 45.143 45.100 -0.295 0.000 0.793 347 G HN 0.229 nan 8.290 nan 0.000 0.534 348 Y N -0.226 119.969 120.300 -0.176 0.000 2.598 348 Y HA 0.561 5.114 4.550 0.005 0.000 0.340 348 Y C 0.018 175.616 175.900 -0.503 0.000 1.038 348 Y CA -1.334 56.500 58.100 -0.443 0.000 1.100 348 Y CB 1.460 39.404 38.460 -0.860 0.000 1.281 348 Y HN -0.179 nan 8.280 nan 0.000 0.488 349 E N 0.628 120.672 120.200 -0.259 0.000 2.283 349 E HA 0.183 4.536 4.350 0.005 0.000 0.271 349 E C -1.602 174.767 176.600 -0.386 0.000 1.031 349 E CA -0.552 55.738 56.400 -0.183 0.000 0.868 349 E CB 1.122 30.820 29.700 -0.003 0.000 1.094 349 E HN 0.540 nan 8.360 nan 0.000 0.401 350 W N 0.653 122.067 121.300 0.190 0.000 2.632 350 W HA 0.356 5.019 4.660 0.005 0.000 0.328 350 W C 0.343 177.090 176.519 0.379 0.000 1.044 350 W CA -0.617 56.877 57.345 0.249 0.000 1.225 350 W CB 1.321 30.889 29.460 0.181 0.000 1.396 350 W HN 0.344 nan 8.180 nan 0.000 0.499 351 E N 2.232 122.777 120.200 0.576 0.000 2.171 351 E HA 0.379 4.732 4.350 0.005 0.000 0.271 351 E C -1.296 175.410 176.600 0.177 0.000 0.916 351 E CA -1.154 55.447 56.400 0.335 0.000 0.774 351 E CB 1.425 31.208 29.700 0.139 0.000 1.128 351 E HN 0.394 nan 8.360 nan 0.000 0.403 352 L N 4.002 125.086 121.223 -0.232 0.000 2.360 352 L HA 0.339 4.682 4.340 0.005 0.000 0.276 352 L C -0.185 176.465 176.870 -0.366 0.000 1.121 352 L CA 1.035 55.401 54.840 -0.790 0.000 0.845 352 L CB 1.046 42.534 42.059 -0.952 0.000 1.143 352 L HN 0.644 nan 8.230 nan 0.000 0.452 353 T N 3.947 118.300 114.554 -0.334 0.000 2.618 353 T HA 0.544 4.897 4.350 0.005 0.000 0.293 353 T C -1.270 173.348 174.700 -0.138 0.000 1.093 353 T CA -0.703 61.300 62.100 -0.163 0.000 1.061 353 T CB 1.040 69.854 68.868 -0.089 0.000 1.498 353 T HN 0.610 nan 8.240 nan 0.000 0.494 354 K N 1.191 121.530 120.400 -0.102 0.000 2.422 354 K HA 0.592 4.915 4.320 0.005 0.000 0.251 354 K C -0.376 176.164 176.600 -0.100 0.000 0.933 354 K CA -0.800 55.421 56.287 -0.110 0.000 0.798 354 K CB 1.999 34.429 32.500 -0.117 0.000 1.238 354 K HN 0.766 nan 8.250 nan 0.000 0.428 355 S N 1.112 116.747 115.700 -0.108 0.000 2.608 355 S HA 0.197 4.670 4.470 0.005 0.000 0.261 355 S C -1.827 172.708 174.600 -0.109 0.000 1.314 355 S CA -0.902 57.234 58.200 -0.106 0.000 0.992 355 S CB 0.572 63.707 63.200 -0.108 0.000 0.935 355 S HN 0.354 nan 8.310 nan 0.000 0.564 356 P HA 0.077 nan 4.420 nan 0.000 0.226 356 P C 0.762 177.973 177.300 -0.147 0.000 1.146 356 P CA 1.251 64.280 63.100 -0.119 0.000 0.773 356 P CB -0.192 31.434 31.700 -0.125 0.000 0.772 357 A N -1.257 121.476 122.820 -0.144 0.000 2.308 357 A HA 0.522 4.845 4.320 0.005 0.000 0.217 357 A C 1.609 179.119 177.584 -0.123 0.000 1.216 357 A CA 0.604 52.557 52.037 -0.140 0.000 0.864 357 A CB -0.777 18.146 19.000 -0.127 0.000 0.902 357 A HN 0.220 nan 8.150 nan 0.000 0.499 358 G N -1.839 106.883 108.800 -0.130 0.000 2.157 358 G HA2 0.127 4.090 3.960 0.005 0.000 0.239 358 G HA3 0.127 4.090 3.960 0.005 0.000 0.239 358 G C 0.371 175.143 174.900 -0.214 0.000 0.982 358 G CA 0.188 45.198 45.100 -0.151 0.000 0.650 358 G HN 1.522 nan 8.290 nan 0.000 0.527 359 A N 0.701 123.411 122.820 -0.183 0.000 2.316 359 A HA 0.658 4.981 4.320 0.005 0.000 0.284 359 A C 0.443 177.900 177.584 -0.211 0.000 1.115 359 A CA -0.488 51.429 52.037 -0.199 0.000 0.812 359 A CB 0.253 19.198 19.000 -0.092 0.000 1.064 359 A HN 0.426 nan 8.150 nan 0.000 0.489 360 H N 1.646 120.676 119.070 -0.067 0.000 2.803 360 H HA 0.285 4.844 4.556 0.005 0.000 0.330 360 H C 0.382 175.647 175.328 -0.106 0.000 1.057 360 H CA 0.840 56.813 56.048 -0.125 0.000 1.458 360 H CB 0.504 30.199 29.762 -0.111 0.000 1.470 360 H HN 0.789 nan 8.280 nan 0.000 0.560 361 Q N 1.763 121.513 119.800 -0.083 0.000 2.814 361 Q HA 0.459 4.802 4.340 0.005 0.000 0.322 361 Q C -1.640 174.232 176.000 -0.213 0.000 0.888 361 Q CA -1.108 54.679 55.803 -0.026 0.000 0.768 361 Q CB 1.831 30.580 28.738 0.019 0.000 1.443 361 Q HN 0.412 nan 8.270 nan 0.000 0.497 362 W N 0.260 121.584 121.300 0.039 0.000 2.915 362 W HA 0.734 5.397 4.660 0.005 0.000 0.337 362 W C -1.189 175.466 176.519 0.227 0.000 1.102 362 W CA -0.727 56.694 57.345 0.126 0.000 1.224 362 W CB 2.255 31.769 29.460 0.090 0.000 1.416 362 W HN 0.508 nan 8.180 nan 0.000 0.503 363 V N 2.388 122.612 119.914 0.517 0.000 2.876 363 V HA 0.848 4.971 4.120 0.005 0.000 0.312 363 V C -0.622 175.613 176.094 0.235 0.000 1.085 363 V CA -1.115 61.398 62.300 0.354 0.000 0.945 363 V CB 1.701 33.595 31.823 0.119 0.000 1.017 363 V HN 0.684 nan 8.190 nan 0.000 0.428 364 A N 5.485 128.211 122.820 -0.156 0.000 2.404 364 A HA 0.442 4.765 4.320 0.005 0.000 0.273 364 A C 0.213 177.548 177.584 -0.415 0.000 1.144 364 A CA -0.180 51.395 52.037 -0.771 0.000 0.806 364 A CB -0.178 18.001 19.000 -1.369 0.000 1.080 364 A HN 0.845 nan 8.150 nan 0.000 0.509 365 K N 1.612 121.836 120.400 -0.294 0.000 2.447 365 K HA 0.309 4.632 4.320 0.005 0.000 0.281 365 K C 1.236 177.774 176.600 -0.103 0.000 1.031 365 K CA 1.082 57.292 56.287 -0.128 0.000 1.019 365 K CB 0.324 32.786 32.500 -0.063 0.000 0.918 365 K HN 1.341 nan 8.250 nan 0.000 0.476 366 G N 1.624 110.380 108.800 -0.073 0.000 2.166 366 G HA2 -0.338 3.625 3.960 0.005 0.000 0.260 366 G HA3 -0.338 3.625 3.960 0.005 0.000 0.260 366 G C 0.230 175.105 174.900 -0.041 0.000 0.986 366 G CA 0.314 45.389 45.100 -0.041 0.000 0.683 366 G HN 0.817 nan 8.290 nan 0.000 0.527 367 A N -0.136 122.610 122.820 -0.124 0.000 2.351 367 A HA 0.564 4.887 4.320 0.005 0.000 0.257 367 A C 0.489 178.025 177.584 -0.081 0.000 1.087 367 A CA 0.017 51.966 52.037 -0.147 0.000 0.798 367 A CB 0.471 19.168 19.000 -0.506 0.000 1.033 367 A HN 0.304 nan 8.150 nan 0.000 0.488 368 D N 0.499 120.882 120.400 -0.028 0.000 2.358 368 D HA 0.383 5.026 4.640 0.005 0.000 0.244 368 D C 0.332 176.609 176.300 -0.039 0.000 1.163 368 D CA 0.459 54.445 54.000 -0.023 0.000 0.945 368 D CB 0.941 41.743 40.800 0.002 0.000 1.152 368 D HN 0.606 nan 8.370 nan 0.000 0.451 369 A N 0.896 123.696 122.820 -0.033 0.000 2.666 369 A HA 0.281 4.604 4.320 0.005 0.000 0.301 369 A C 1.003 178.573 177.584 -0.023 0.000 1.470 369 A CA -0.437 51.578 52.037 -0.036 0.000 1.159 369 A CB -0.612 18.352 19.000 -0.061 0.000 1.116 369 A HN 0.390 nan 8.150 nan 0.000 0.548 370 V N 0.805 120.716 119.914 -0.005 0.000 3.605 370 V HA 0.349 4.472 4.120 0.005 0.000 0.284 370 V C 0.326 176.434 176.094 0.024 0.000 1.386 370 V CA -0.044 62.264 62.300 0.013 0.000 1.053 370 V CB -0.370 31.474 31.823 0.035 0.000 0.857 370 V HN 0.545 nan 8.190 nan 0.000 0.436 371 I N 4.150 124.746 120.570 0.043 0.000 2.342 371 I HA 0.460 4.633 4.170 0.005 0.000 0.291 371 I C -2.383 173.803 176.117 0.115 0.000 1.010 371 I CA -2.327 59.017 61.300 0.073 0.000 1.308 371 I CB 1.161 39.217 38.000 0.093 0.000 1.400 371 I HN 0.129 nan 8.210 nan 0.000 0.488 372 P HA 0.095 nan 4.420 nan 0.000 0.271 372 P C -0.558 176.942 177.300 0.333 0.000 1.218 372 P CA -0.197 63.003 63.100 0.167 0.000 0.780 372 P CB 0.967 32.755 31.700 0.146 0.000 0.901 373 D N 0.831 121.371 120.400 0.234 0.000 2.339 373 D HA 0.278 4.921 4.640 0.005 0.000 0.245 373 D C 1.263 177.570 176.300 0.011 0.000 1.115 373 D CA -0.277 53.857 54.000 0.224 0.000 0.917 373 D CB 0.684 41.566 40.800 0.136 0.000 1.192 373 D HN 0.292 nan 8.370 nan 0.000 0.428 374 A N 2.363 124.948 122.820 -0.390 0.000 2.119 374 A HA 0.045 4.368 4.320 0.005 0.000 0.216 374 A C 1.051 177.934 177.584 -1.167 0.000 1.152 374 A CA 0.790 52.006 52.037 -1.368 0.000 0.708 374 A CB -0.315 17.789 19.000 -1.493 0.000 0.805 374 A HN 0.645 nan 8.150 nan 0.000 0.460 375 F N -1.896 117.912 119.950 -0.237 0.000 2.883 375 F HA 0.240 4.770 4.527 0.005 0.000 0.351 375 F C 0.073 175.825 175.800 -0.080 0.000 0.970 375 F CA -0.513 57.393 58.000 -0.155 0.000 1.130 375 F CB 0.856 39.759 39.000 -0.162 0.000 1.015 375 F HN 0.036 nan 8.300 nan 0.000 0.585 376 D N 1.553 122.010 120.400 0.095 0.000 2.453 376 D HA 0.277 4.920 4.640 0.005 0.000 0.238 376 D C -2.173 174.142 176.300 0.025 0.000 1.088 376 D CA -2.278 51.757 54.000 0.057 0.000 0.854 376 D CB 1.935 42.766 40.800 0.051 0.000 1.076 376 D HN -0.091 nan 8.370 nan 0.000 0.533 377 P HA -0.108 nan 4.420 nan 0.000 0.221 377 P C 1.148 178.446 177.300 -0.003 0.000 1.145 377 P CA 0.846 63.952 63.100 0.011 0.000 0.795 377 P CB 0.244 31.951 31.700 0.011 0.000 0.775 378 S N -2.400 113.294 115.700 -0.009 0.000 2.558 378 S HA 0.093 4.566 4.470 0.005 0.000 0.217 378 S C 0.754 175.325 174.600 -0.049 0.000 0.975 378 S CA 0.014 58.200 58.200 -0.023 0.000 0.912 378 S CB -0.477 62.713 63.200 -0.017 0.000 0.776 378 S HN 0.047 nan 8.310 nan 0.000 0.526 379 K N 1.305 121.666 120.400 -0.066 0.000 2.182 379 K HA 0.511 4.834 4.320 0.005 0.000 0.262 379 K C -0.474 175.989 176.600 -0.229 0.000 0.957 379 K CA -0.607 55.587 56.287 -0.155 0.000 0.842 379 K CB 1.347 33.758 32.500 -0.148 0.000 1.099 379 K HN 0.117 nan 8.250 nan 0.000 0.438 380 K N 1.646 121.849 120.400 -0.328 0.000 2.395 380 K HA 0.486 4.809 4.320 0.005 0.000 0.245 380 K C -0.645 175.636 176.600 -0.531 0.000 1.017 380 K CA -0.965 55.134 56.287 -0.313 0.000 0.852 380 K CB 1.904 34.330 32.500 -0.124 0.000 1.311 380 K HN 0.572 nan 8.250 nan 0.000 0.452 381 H N 0.635 119.701 119.070 -0.007 0.000 2.928 381 H HA 0.334 4.893 4.556 0.005 0.000 0.371 381 H C -0.338 174.964 175.328 -0.043 0.000 1.186 381 H CA -0.785 55.248 56.048 -0.024 0.000 1.134 381 H CB 1.729 31.477 29.762 -0.023 0.000 1.824 381 H HN 0.316 nan 8.280 nan 0.000 0.554 382 R N 1.217 121.761 120.500 0.073 0.000 2.641 382 R HA 0.217 4.559 4.340 0.005 0.000 0.269 382 R C -2.301 173.981 176.300 -0.030 0.000 1.074 382 R CA -1.503 54.576 56.100 -0.035 0.000 1.133 382 R CB -0.141 30.112 30.300 -0.077 0.000 1.029 382 R HN 0.273 nan 8.270 nan 0.000 0.488 383 P HA -0.023 nan 4.420 nan 0.000 0.266 383 P C -0.714 176.676 177.300 0.150 0.000 1.195 383 P CA 0.310 63.408 63.100 -0.003 0.000 0.768 383 P CB 0.756 32.393 31.700 -0.105 0.000 0.838 384 T N -0.206 114.443 114.554 0.158 0.000 2.883 384 T HA 0.833 5.186 4.350 0.005 0.000 0.296 384 T C -0.648 174.029 174.700 -0.039 0.000 1.117 384 T CA -0.855 61.341 62.100 0.160 0.000 1.006 384 T CB 1.238 70.092 68.868 -0.023 0.000 1.191 384 T HN 0.118 nan 8.240 nan 0.000 0.508 385 M N 1.406 120.942 119.600 -0.106 0.000 2.520 385 M HA 0.464 4.947 4.480 0.005 0.000 0.283 385 M C -1.184 175.150 176.300 0.056 0.000 1.237 385 M CA -0.693 54.495 55.300 -0.186 0.000 0.885 385 M CB 2.309 34.429 32.600 -0.800 0.000 1.727 385 M HN 0.681 nan 8.290 nan 0.000 0.468 386 L N 0.643 121.969 121.223 0.172 0.000 2.439 386 L HA 0.352 4.695 4.340 0.005 0.000 0.261 386 L C 1.545 178.519 176.870 0.174 0.000 1.153 386 L CA -0.274 54.715 54.840 0.249 0.000 0.808 386 L CB 0.487 42.725 42.059 0.297 0.000 1.126 386 L HN 0.780 nan 8.230 nan 0.000 0.460 387 T N -0.492 114.259 114.554 0.328 0.000 2.685 387 T HA -0.216 4.137 4.350 0.005 0.000 0.268 387 T C 1.728 176.453 174.700 0.042 0.000 1.034 387 T CA 2.312 64.529 62.100 0.195 0.000 1.149 387 T CB -0.305 68.779 68.868 0.361 0.000 0.860 387 T HN 0.926 nan 8.240 nan 0.000 0.449 388 T N 0.299 114.924 114.554 0.119 0.000 2.995 388 T HA -0.058 4.295 4.350 0.005 0.000 0.269 388 T C 1.472 176.191 174.700 0.032 0.000 1.091 388 T CA 0.863 63.020 62.100 0.094 0.000 1.128 388 T CB -0.222 68.740 68.868 0.157 0.000 0.891 388 T HN 0.276 nan 8.240 nan 0.000 0.492 389 D N 1.862 122.295 120.400 0.056 0.000 2.117 389 D HA 0.016 4.659 4.640 0.005 0.000 0.198 389 D C 2.140 178.348 176.300 -0.154 0.000 0.982 389 D CA 0.817 54.831 54.000 0.024 0.000 0.828 389 D CB -0.248 40.621 40.800 0.116 0.000 0.967 389 D HN 0.365 nan 8.370 nan 0.000 0.464 390 L N 1.073 122.131 121.223 -0.275 0.000 2.191 390 L HA -0.118 4.225 4.340 0.005 0.000 0.212 390 L C 2.391 179.217 176.870 -0.072 0.000 1.103 390 L CA 0.542 55.202 54.840 -0.300 0.000 0.769 390 L CB -0.424 41.351 42.059 -0.474 0.000 0.908 390 L HN -0.065 nan 8.230 nan 0.000 0.438 391 S N 0.515 116.199 115.700 -0.026 0.000 2.402 391 S HA -0.165 4.308 4.470 0.005 0.000 0.233 391 S C 1.921 176.574 174.600 0.089 0.000 1.030 391 S CA 1.198 59.445 58.200 0.078 0.000 1.003 391 S CB -0.297 62.968 63.200 0.109 0.000 0.813 391 S HN 0.393 nan 8.310 nan 0.000 0.477 392 L N 0.503 121.693 121.223 -0.055 0.000 2.275 392 L HA 0.010 4.353 4.340 0.005 0.000 0.215 392 L C 2.624 179.434 176.870 -0.100 0.000 1.119 392 L CA 1.000 55.795 54.840 -0.075 0.000 0.790 392 L CB -0.356 41.653 42.059 -0.083 0.000 0.919 392 L HN 0.274 nan 8.230 nan 0.000 0.443 393 R N -0.338 119.980 120.500 -0.303 0.000 2.175 393 R HA 0.021 4.364 4.340 0.005 0.000 0.202 393 R C 1.823 177.824 176.300 -0.498 0.000 1.018 393 R CA 0.594 56.361 56.100 -0.556 0.000 1.029 393 R CB 0.123 29.790 30.300 -1.056 0.000 0.959 393 R HN 0.167 nan 8.270 nan 0.000 0.480 394 F N 0.655 120.573 119.950 -0.052 0.000 2.746 394 F HA 0.192 4.722 4.527 0.005 0.000 0.297 394 F C 0.611 176.401 175.800 -0.016 0.000 1.113 394 F CA -0.353 57.624 58.000 -0.038 0.000 1.367 394 F CB 0.390 39.338 39.000 -0.086 0.000 1.111 394 F HN -0.030 nan 8.300 nan 0.000 0.590 395 D N 1.829 122.301 120.400 0.120 0.000 2.317 395 D HA 0.063 4.706 4.640 0.005 0.000 0.252 395 D C -1.947 174.351 176.300 -0.004 0.000 1.174 395 D CA -1.677 52.340 54.000 0.028 0.000 0.866 395 D CB 1.806 42.580 40.800 -0.043 0.000 1.127 395 D HN -0.025 nan 8.370 nan 0.000 0.467 396 P HA -0.161 nan 4.420 nan 0.000 0.215 396 P C 0.988 178.260 177.300 -0.047 0.000 1.157 396 P CA 1.575 64.661 63.100 -0.022 0.000 0.874 396 P CB 0.183 31.868 31.700 -0.025 0.000 0.790 397 A N -1.666 121.089 122.820 -0.108 0.000 1.898 397 A HA -0.202 4.121 4.320 0.005 0.000 0.216 397 A C 2.221 179.786 177.584 -0.032 0.000 1.181 397 A CA 1.336 53.307 52.037 -0.109 0.000 0.620 397 A CB -1.887 17.006 19.000 -0.177 0.000 0.819 397 A HN 0.203 nan 8.150 nan 0.000 0.442 398 Y N -0.569 119.689 120.300 -0.070 0.000 2.224 398 Y HA -0.210 4.343 4.550 0.005 0.000 0.289 398 Y C 2.714 178.556 175.900 -0.098 0.000 1.146 398 Y CA 0.935 58.980 58.100 -0.093 0.000 1.182 398 Y CB 0.037 38.446 38.460 -0.084 0.000 0.983 398 Y HN 0.383 nan 8.280 nan 0.000 0.524 399 E N 1.433 121.687 120.200 0.091 0.000 2.110 399 E HA -0.205 4.148 4.350 0.005 0.000 0.193 399 E C 1.687 178.293 176.600 0.010 0.000 0.988 399 E CA 1.238 57.678 56.400 0.066 0.000 0.804 399 E CB -0.012 29.712 29.700 0.041 0.000 0.745 399 E HN 0.500 nan 8.360 nan 0.000 0.458 400 K N 0.029 120.404 120.400 -0.041 0.000 2.057 400 K HA -0.100 4.222 4.320 0.005 0.000 0.207 400 K C 2.379 178.866 176.600 -0.189 0.000 1.049 400 K CA 1.378 57.604 56.287 -0.101 0.000 0.931 400 K CB -0.120 32.330 32.500 -0.083 0.000 0.714 400 K HN 0.184 nan 8.250 nan 0.000 0.440 401 I N 0.888 121.326 120.570 -0.220 0.000 2.233 401 I HA -0.243 3.929 4.170 0.005 0.000 0.243 401 I C 2.254 177.967 176.117 -0.673 0.000 1.093 401 I CA 1.012 62.028 61.300 -0.473 0.000 1.380 401 I CB -0.278 37.473 38.000 -0.415 0.000 1.067 401 I HN 0.019 nan 8.210 nan 0.000 0.413 402 S N 0.488 115.942 115.700 -0.411 0.000 2.374 402 S HA -0.282 4.190 4.470 0.005 0.000 0.227 402 S C 2.077 176.367 174.600 -0.516 0.000 1.037 402 S CA 1.700 59.586 58.200 -0.523 0.000 1.024 402 S CB -0.472 62.703 63.200 -0.040 0.000 0.861 402 S HN 0.367 nan 8.310 nan 0.000 0.456 403 R N 1.175 121.499 120.500 -0.294 0.000 2.081 403 R HA -0.033 4.310 4.340 0.005 0.000 0.235 403 R C 2.512 178.626 176.300 -0.310 0.000 1.131 403 R CA 1.407 57.252 56.100 -0.426 0.000 0.960 403 R CB -0.174 29.887 30.300 -0.399 0.000 0.856 403 R HN 0.308 nan 8.270 nan 0.000 0.436 404 R N -0.348 119.975 120.500 -0.294 0.000 2.081 404 R HA -0.129 4.213 4.340 0.005 0.000 0.235 404 R C 2.044 178.315 176.300 -0.048 0.000 1.131 404 R CA 1.864 57.851 56.100 -0.187 0.000 0.960 404 R CB -0.339 29.836 30.300 -0.209 0.000 0.856 404 R HN 0.300 nan 8.270 nan 0.000 0.436 405 F N -1.000 118.783 119.950 -0.277 0.000 2.186 405 F HA -0.213 4.316 4.527 0.005 0.000 0.299 405 F C 2.532 178.177 175.800 -0.259 0.000 1.090 405 F CA 0.689 58.523 58.000 -0.277 0.000 1.307 405 F CB -0.270 38.407 39.000 -0.539 0.000 1.019 405 F HN 0.282 nan 8.300 nan 0.000 0.489 406 H N 0.847 119.709 119.070 -0.347 0.000 2.352 406 H HA -0.144 4.415 4.556 0.005 0.000 0.299 406 H C 1.777 177.044 175.328 -0.100 0.000 1.097 406 H CA 1.990 57.933 56.048 -0.175 0.000 1.311 406 H CB -0.197 29.413 29.762 -0.253 0.000 1.377 406 H HN 0.287 nan 8.280 nan 0.000 0.504 407 E N -0.667 119.415 120.200 -0.197 0.000 2.230 407 E HA 0.028 4.381 4.350 0.005 0.000 0.192 407 E C -0.066 176.467 176.600 -0.111 0.000 0.987 407 E CA 0.327 56.590 56.400 -0.230 0.000 0.841 407 E CB 0.353 29.936 29.700 -0.195 0.000 0.783 407 E HN 0.435 nan 8.360 nan 0.000 0.481 408 N N 1.113 119.799 118.700 -0.024 0.000 2.841 408 N HA 0.126 4.869 4.740 0.005 0.000 0.257 408 N C -2.396 173.162 175.510 0.080 0.000 1.396 408 N CA -0.993 52.075 53.050 0.031 0.000 0.823 408 N CB 1.489 40.020 38.487 0.073 0.000 1.162 408 N HN -0.035 nan 8.380 nan 0.000 0.503 409 P HA -0.079 nan 4.420 nan 0.000 0.222 409 P C 1.098 178.458 177.300 0.100 0.000 1.147 409 P CA 1.109 64.169 63.100 -0.067 0.000 0.790 409 P CB 0.597 31.847 31.700 -0.750 0.000 0.780 410 E N -0.669 119.588 120.200 0.094 0.000 2.152 410 E HA -0.145 4.208 4.350 0.005 0.000 0.192 410 E C 2.101 178.777 176.600 0.127 0.000 0.983 410 E CA 0.854 57.329 56.400 0.124 0.000 0.818 410 E CB -0.273 29.483 29.700 0.092 0.000 0.758 410 E HN 0.324 nan 8.360 nan 0.000 0.467 411 Q N -0.675 119.214 119.800 0.149 0.000 2.119 411 Q HA -0.147 4.195 4.340 0.005 0.000 0.201 411 Q C 1.869 177.911 176.000 0.071 0.000 0.972 411 Q CA 0.955 56.862 55.803 0.174 0.000 0.847 411 Q CB -0.132 28.773 28.738 0.278 0.000 0.903 411 Q HN 0.282 nan 8.270 nan 0.000 0.433 412 F N 1.412 121.231 119.950 -0.218 0.000 2.075 412 F HA -0.157 4.373 4.527 0.004 0.000 0.297 412 F C 2.108 177.861 175.800 -0.077 0.000 1.113 412 F CA 1.364 58.990 58.000 -0.622 0.000 1.218 412 F CB -0.849 38.022 39.000 -0.216 0.000 0.984 412 F HN -0.008 nan 8.300 nan 0.000 0.472 413 A N -0.072 122.782 122.820 0.057 0.000 1.883 413 A HA -0.278 4.045 4.320 0.005 0.000 0.217 413 A C 2.020 179.640 177.584 0.059 0.000 1.186 413 A CA 2.191 54.285 52.037 0.095 0.000 0.624 413 A CB -1.394 17.699 19.000 0.154 0.000 0.822 413 A HN 0.497 nan 8.150 nan 0.000 0.444 414 D N -0.568 119.856 120.400 0.040 0.000 2.117 414 D HA -0.013 4.630 4.640 0.005 0.000 0.197 414 D C 2.066 178.404 176.300 0.065 0.000 0.987 414 D CA 1.658 55.685 54.000 0.045 0.000 0.829 414 D CB -0.227 40.610 40.800 0.063 0.000 0.961 414 D HN 0.340 nan 8.370 nan 0.000 0.460 415 A N -0.250 122.611 122.820 0.069 0.000 1.877 415 A HA -0.129 4.194 4.320 0.005 0.000 0.216 415 A C 2.334 180.028 177.584 0.182 0.000 1.186 415 A CA 1.306 53.415 52.037 0.120 0.000 0.620 415 A CB -1.326 17.749 19.000 0.126 0.000 0.822 415 A HN 0.485 nan 8.150 nan 0.000 0.443 416 F N 0.614 120.549 119.950 -0.025 0.000 2.134 416 F HA -0.084 4.445 4.527 0.004 0.000 0.299 416 F C 2.526 178.407 175.800 0.134 0.000 1.097 416 F CA 1.083 59.075 58.000 -0.014 0.000 1.264 416 F CB -0.050 38.791 39.000 -0.266 0.000 1.001 416 F HN 0.291 nan 8.300 nan 0.000 0.479 417 A N 0.828 123.737 122.820 0.149 0.000 1.902 417 A HA -0.191 4.132 4.320 0.005 0.000 0.217 417 A C 2.167 179.807 177.584 0.093 0.000 1.181 417 A CA 1.671 53.795 52.037 0.146 0.000 0.623 417 A CB -0.714 18.364 19.000 0.130 0.000 0.818 417 A HN 0.446 nan 8.150 nan 0.000 0.443 418 R N -0.604 119.858 120.500 -0.063 0.000 2.075 418 R HA -0.040 4.303 4.340 0.005 0.000 0.232 418 R C 2.452 178.771 176.300 0.030 0.000 1.126 418 R CA 1.208 57.165 56.100 -0.239 0.000 0.963 418 R CB -0.418 29.718 30.300 -0.272 0.000 0.858 418 R HN 0.509 nan 8.270 nan 0.000 0.435 419 A N 0.744 123.623 122.820 0.097 0.000 1.930 419 A HA -0.180 4.143 4.320 0.005 0.000 0.217 419 A C 1.872 179.534 177.584 0.130 0.000 1.175 419 A CA 0.828 52.935 52.037 0.117 0.000 0.627 419 A CB -0.852 18.271 19.000 0.204 0.000 0.815 419 A HN 0.607 nan 8.150 nan 0.000 0.443 420 W N -0.353 120.915 121.300 -0.053 0.000 2.358 420 W HA -0.234 4.429 4.660 0.005 0.000 0.303 420 W C 1.841 178.416 176.519 0.093 0.000 1.208 420 W CA 1.800 59.107 57.345 -0.064 0.000 1.274 420 W CB -0.463 28.800 29.460 -0.328 0.000 1.138 420 W HN 0.405 nan 8.180 nan 0.000 0.515 421 F N 2.012 122.028 119.950 0.110 0.000 2.095 421 F HA -0.217 4.313 4.527 0.004 0.000 0.298 421 F C 2.657 178.475 175.800 0.030 0.000 1.104 421 F CA 2.827 60.903 58.000 0.127 0.000 1.232 421 F CB -0.857 38.287 39.000 0.240 0.000 0.987 421 F HN -0.228 nan 8.300 nan 0.000 0.475 422 K N 0.161 120.473 120.400 -0.145 0.000 2.009 422 K HA -0.248 4.075 4.320 0.005 0.000 0.210 422 K C 2.189 178.382 176.600 -0.677 0.000 1.049 422 K CA 1.857 57.675 56.287 -0.781 0.000 0.929 422 K CB -0.684 31.305 32.500 -0.851 0.000 0.714 422 K HN 0.357 nan 8.250 nan 0.000 0.440 423 L N 1.226 122.202 121.223 -0.411 0.000 2.013 423 L HA -0.196 4.146 4.340 0.005 0.000 0.212 423 L C 2.110 178.713 176.870 -0.445 0.000 1.073 423 L CA 2.702 57.342 54.840 -0.334 0.000 0.753 423 L CB -0.946 40.990 42.059 -0.206 0.000 0.890 423 L HN 0.469 nan 8.230 nan 0.000 0.432 424 T N -5.395 108.833 114.554 -0.544 0.000 3.081 424 T HA 0.041 4.394 4.350 0.005 0.000 0.250 424 T C 1.004 175.268 174.700 -0.727 0.000 1.100 424 T CA 0.869 62.610 62.100 -0.598 0.000 1.038 424 T CB -0.460 68.002 68.868 -0.676 0.000 0.962 424 T HN 0.538 nan 8.240 nan 0.000 0.516 425 H N 0.123 118.817 119.070 -0.627 0.000 3.058 425 H HA 0.358 4.917 4.556 0.005 0.000 0.266 425 H C 2.155 177.276 175.328 -0.344 0.000 1.135 425 H CA -0.365 55.356 56.048 -0.543 0.000 1.174 425 H CB 0.281 29.570 29.762 -0.787 0.000 1.581 425 H HN 0.324 nan 8.280 nan 0.000 0.553 426 R N 1.112 121.335 120.500 -0.463 0.000 2.112 426 R HA -0.155 4.188 4.340 0.005 0.000 0.242 426 R C 0.637 176.744 176.300 -0.322 0.000 1.137 426 R CA 2.159 57.966 56.100 -0.489 0.000 0.944 426 R CB -0.535 29.321 30.300 -0.740 0.000 0.857 426 R HN 0.300 nan 8.270 nan 0.000 0.435 427 D N -0.011 120.120 120.400 -0.448 0.000 2.319 427 D HA -0.023 4.620 4.640 0.005 0.000 0.230 427 D C 1.568 177.782 176.300 -0.143 0.000 1.094 427 D CA 0.254 54.079 54.000 -0.291 0.000 0.856 427 D CB -0.021 40.609 40.800 -0.282 0.000 0.915 427 D HN 0.366 nan 8.370 nan 0.000 0.517 428 M N 0.155 119.691 119.600 -0.107 0.000 2.506 428 M HA 0.164 4.646 4.480 0.005 0.000 0.260 428 M C 1.037 177.314 176.300 -0.039 0.000 1.104 428 M CA 0.941 56.199 55.300 -0.070 0.000 1.112 428 M CB 0.048 32.609 32.600 -0.065 0.000 1.401 428 M HN 0.312 nan 8.290 nan 0.000 0.473 429 G N 0.619 109.422 108.800 0.004 0.000 2.587 429 G HA2 -0.156 3.807 3.960 0.005 0.000 0.212 429 G HA3 -0.156 3.807 3.960 0.005 0.000 0.212 429 G C -2.933 171.929 174.900 -0.062 0.000 1.327 429 G CA -1.257 43.803 45.100 -0.066 0.000 0.898 429 G HN 0.132 nan 8.290 nan 0.000 0.551 430 P HA 0.292 nan 4.420 nan 0.000 0.269 430 P C 0.996 178.104 177.300 -0.319 0.000 1.215 430 P CA -0.144 62.868 63.100 -0.146 0.000 0.780 430 P CB 0.307 32.004 31.700 -0.004 0.000 0.898 431 R N 1.916 122.120 120.500 -0.493 0.000 2.200 431 R HA -0.155 4.188 4.340 0.005 0.000 0.234 431 R C 1.946 178.007 176.300 -0.398 0.000 1.127 431 R CA 1.512 57.103 56.100 -0.849 0.000 0.989 431 R CB -0.831 29.082 30.300 -0.645 0.000 0.869 431 R HN 0.518 nan 8.270 nan 0.000 0.459 432 A N 1.309 124.019 122.820 -0.184 0.000 2.076 432 A HA -0.168 4.155 4.320 0.005 0.000 0.220 432 A C 1.829 179.411 177.584 -0.003 0.000 1.160 432 A CA 1.134 53.142 52.037 -0.048 0.000 0.653 432 A CB -0.278 18.741 19.000 0.032 0.000 0.801 432 A HN 0.259 nan 8.150 nan 0.000 0.455 433 R N -1.858 118.617 120.500 -0.042 0.000 2.299 433 R HA 0.042 4.385 4.340 0.005 0.000 0.197 433 R C -0.489 175.888 176.300 0.128 0.000 0.971 433 R CA -0.074 56.019 56.100 -0.011 0.000 1.030 433 R CB -0.086 30.105 30.300 -0.181 0.000 0.932 433 R HN 0.472 nan 8.270 nan 0.000 0.477 434 Y N 1.576 121.827 120.300 -0.082 0.000 2.465 434 Y HA 0.158 4.712 4.550 0.006 0.000 0.331 434 Y C 0.593 176.463 175.900 -0.050 0.000 1.102 434 Y CA -0.582 57.477 58.100 -0.067 0.000 1.358 434 Y CB 0.230 38.677 38.460 -0.022 0.000 1.213 434 Y HN -0.114 nan 8.280 nan 0.000 0.525 435 L N 2.530 123.763 121.223 0.017 0.000 2.334 435 L HA 0.876 5.219 4.340 0.005 0.000 0.273 435 L C 0.552 177.553 176.870 0.218 0.000 1.013 435 L CA -0.823 54.066 54.840 0.083 0.000 0.816 435 L CB 1.859 43.925 42.059 0.012 0.000 1.278 435 L HN 0.798 nan 8.230 nan 0.000 0.431 436 G N 2.007 110.974 108.800 0.279 0.000 2.592 436 G HA2 -0.100 3.863 3.960 0.005 0.000 0.684 436 G HA3 -0.100 3.863 3.960 0.005 0.000 0.684 436 G C -2.502 172.500 174.900 0.171 0.000 1.291 436 G CA -0.366 44.920 45.100 0.310 0.000 0.891 436 G HN 0.518 nan 8.290 nan 0.000 0.544 437 P HA 0.185 nan 4.420 nan 0.000 0.249 437 P C 0.605 177.950 177.300 0.074 0.000 1.229 437 P CA 0.856 63.999 63.100 0.073 0.000 0.788 437 P CB 0.387 32.109 31.700 0.037 0.000 1.072 438 E N -0.271 120.008 120.200 0.133 0.000 2.558 438 E HA 0.150 4.503 4.350 0.005 0.000 0.205 438 E C -0.238 176.404 176.600 0.069 0.000 1.006 438 E CA -0.247 56.220 56.400 0.112 0.000 0.961 438 E CB 0.892 30.721 29.700 0.215 0.000 1.044 438 E HN 0.016 nan 8.360 nan 0.000 0.465 439 V N 3.508 123.458 119.914 0.060 0.000 2.508 439 V HA 0.084 4.207 4.120 0.005 0.000 0.281 439 V C -2.047 174.004 176.094 -0.072 0.000 1.041 439 V CA -1.359 60.970 62.300 0.047 0.000 1.016 439 V CB 0.339 32.243 31.823 0.134 0.000 0.984 439 V HN 0.091 nan 8.190 nan 0.000 0.478 440 P HA 0.182 nan 4.420 nan 0.000 0.267 440 P C 0.461 177.638 177.300 -0.204 0.000 1.205 440 P CA -0.075 62.790 63.100 -0.392 0.000 0.765 440 P CB 0.949 32.220 31.700 -0.715 0.000 0.828 441 A N 2.993 125.695 122.820 -0.196 0.000 2.014 441 A HA -0.121 4.202 4.320 0.005 0.000 0.218 441 A C 1.060 178.584 177.584 -0.099 0.000 1.163 441 A CA 0.644 52.610 52.037 -0.119 0.000 0.652 441 A CB -0.739 18.199 19.000 -0.104 0.000 0.808 441 A HN 0.638 nan 8.150 nan 0.000 0.449 442 E N 0.623 120.757 120.200 -0.110 0.000 2.417 442 E HA 0.257 4.610 4.350 0.005 0.000 0.261 442 E C -1.043 175.547 176.600 -0.017 0.000 1.000 442 E CA -0.294 56.092 56.400 -0.022 0.000 0.919 442 E CB 0.507 30.263 29.700 0.093 0.000 0.955 442 E HN 0.137 nan 8.360 nan 0.000 0.455 443 V N 6.715 126.601 119.914 -0.046 0.000 2.461 443 V HA 0.203 4.326 4.120 0.005 0.000 0.275 443 V C 0.233 176.256 176.094 -0.118 0.000 1.047 443 V CA -0.317 61.922 62.300 -0.103 0.000 0.955 443 V CB 0.772 32.532 31.823 -0.106 0.000 0.988 443 V HN 0.558 nan 8.190 nan 0.000 0.471 444 L N 4.649 125.721 121.223 -0.251 0.000 2.325 444 L HA 0.382 4.725 4.340 0.005 0.000 0.278 444 L C 0.999 177.636 176.870 -0.388 0.000 1.023 444 L CA -0.707 53.938 54.840 -0.326 0.000 0.811 444 L CB 1.460 43.186 42.059 -0.555 0.000 1.249 444 L HN 0.460 nan 8.230 nan 0.000 0.431 445 L N 3.385 124.508 121.223 -0.166 0.000 2.081 445 L HA -0.194 4.149 4.340 0.005 0.000 0.212 445 L C 2.101 178.951 176.870 -0.034 0.000 1.080 445 L CA 1.983 56.788 54.840 -0.058 0.000 0.754 445 L CB -0.573 41.519 42.059 0.054 0.000 0.893 445 L HN 0.790 nan 8.230 nan 0.000 0.433 446 W N -1.225 120.111 121.300 0.060 0.000 2.699 446 W HA -0.100 4.562 4.660 0.004 0.000 0.249 446 W C 1.317 177.863 176.519 0.045 0.000 1.280 446 W CA 0.230 57.609 57.345 0.057 0.000 1.345 446 W CB -1.128 28.368 29.460 0.060 0.000 1.128 446 W HN 0.328 nan 8.180 nan 0.000 0.642 447 Q N 1.074 120.619 119.800 -0.426 0.000 2.482 447 Q HA -0.060 4.283 4.340 0.005 0.000 0.209 447 Q C -0.304 175.620 176.000 -0.126 0.000 0.961 447 Q CA 0.520 56.121 55.803 -0.338 0.000 0.945 447 Q CB -0.443 27.926 28.738 -0.615 0.000 1.012 447 Q HN 0.063 nan 8.270 nan 0.000 0.515 448 D N 1.300 121.670 120.400 -0.049 0.000 2.735 448 D HA -0.131 4.511 4.640 0.005 0.000 0.235 448 D C -2.412 173.858 176.300 -0.050 0.000 1.175 448 D CA 0.516 54.508 54.000 -0.014 0.000 0.683 448 D CB -0.718 40.103 40.800 0.034 0.000 1.008 448 D HN 0.306 nan 8.370 nan 0.000 0.416 449 P HA 0.186 nan 4.420 nan 0.000 0.269 449 P C 0.371 177.634 177.300 -0.061 0.000 1.209 449 P CA -0.078 62.961 63.100 -0.102 0.000 0.776 449 P CB 0.904 32.535 31.700 -0.115 0.000 0.876 450 I N 3.477 124.011 120.570 -0.060 0.000 2.465 450 I HA 0.292 4.465 4.170 0.005 0.000 0.291 450 I C -2.039 174.053 176.117 -0.041 0.000 1.014 450 I CA -2.577 58.701 61.300 -0.038 0.000 1.093 450 I CB 1.740 39.725 38.000 -0.024 0.000 1.267 450 I HN 0.181 nan 8.210 nan 0.000 0.431 451 P HA 0.134 nan 4.420 nan 0.000 0.267 451 P C -0.522 176.761 177.300 -0.028 0.000 1.200 451 P CA -0.337 62.748 63.100 -0.024 0.000 0.772 451 P CB 0.519 32.216 31.700 -0.006 0.000 0.855 452 A N 2.573 125.373 122.820 -0.033 0.000 2.511 452 A HA 0.193 4.516 4.320 0.005 0.000 0.242 452 A C 0.127 177.683 177.584 -0.047 0.000 1.069 452 A CA -0.270 51.742 52.037 -0.043 0.000 0.763 452 A CB -0.145 18.830 19.000 -0.042 0.000 1.001 452 A HN 0.406 nan 8.150 nan 0.000 0.498 453 V N 3.002 122.865 119.914 -0.084 0.000 2.488 453 V HA 0.171 4.294 4.120 0.005 0.000 0.277 453 V C 0.254 176.240 176.094 -0.180 0.000 1.046 453 V CA 0.633 62.833 62.300 -0.166 0.000 0.986 453 V CB 1.063 32.739 31.823 -0.245 0.000 0.989 453 V HN 1.032 nan 8.190 nan 0.000 0.475 454 D N 1.719 122.024 120.400 -0.159 0.000 2.535 454 D HA 0.172 4.815 4.640 0.005 0.000 0.229 454 D C 0.039 176.331 176.300 -0.012 0.000 1.238 454 D CA -0.245 53.720 54.000 -0.059 0.000 0.824 454 D CB -0.034 40.776 40.800 0.017 0.000 1.045 454 D HN 0.777 nan 8.370 nan 0.000 0.500 455 H N -3.091 115.986 119.070 0.011 0.000 2.946 455 H HA 0.752 5.311 4.556 0.005 0.000 0.365 455 H C -3.038 172.304 175.328 0.023 0.000 1.197 455 H CA -2.334 53.724 56.048 0.017 0.000 1.131 455 H CB -0.024 29.753 29.762 0.025 0.000 1.849 455 H HN -0.339 nan 8.280 nan 0.000 0.555 456 P HA 0.078 nan 4.420 nan 0.000 0.266 456 P C -0.396 177.054 177.300 0.251 0.000 1.195 456 P CA -0.071 63.113 63.100 0.141 0.000 0.768 456 P CB 0.623 32.397 31.700 0.123 0.000 0.838 457 L N 2.849 124.154 121.223 0.137 0.000 2.416 457 L HA 0.450 4.793 4.340 0.005 0.000 0.262 457 L C 1.011 177.983 176.870 0.170 0.000 1.093 457 L CA -1.298 53.641 54.840 0.165 0.000 0.801 457 L CB 0.479 42.581 42.059 0.071 0.000 1.191 457 L HN 0.362 nan 8.230 nan 0.000 0.459 458 I N -1.252 119.431 120.570 0.188 0.000 2.754 458 I HA 0.140 4.313 4.170 0.005 0.000 0.285 458 I C -0.256 175.945 176.117 0.141 0.000 1.166 458 I CA -0.544 60.862 61.300 0.176 0.000 1.417 458 I CB 0.336 38.406 38.000 0.117 0.000 1.382 458 I HN 0.560 nan 8.210 nan 0.000 0.588 459 D N 4.042 124.519 120.400 0.128 0.000 2.588 459 D HA 0.516 5.159 4.640 0.005 0.000 0.268 459 D C 0.930 177.288 176.300 0.096 0.000 1.176 459 D CA -0.350 53.710 54.000 0.100 0.000 1.080 459 D CB 0.903 41.752 40.800 0.082 0.000 1.186 459 D HN 0.594 nan 8.370 nan 0.000 0.619 460 A N -0.294 122.574 122.820 0.080 0.000 1.933 460 A HA 0.042 4.365 4.320 0.005 0.000 0.218 460 A C 2.129 179.746 177.584 0.056 0.000 1.175 460 A CA 2.429 54.509 52.037 0.071 0.000 0.628 460 A CB -1.415 17.619 19.000 0.058 0.000 0.814 460 A HN 0.656 nan 8.150 nan 0.000 0.444 461 A N 0.074 122.930 122.820 0.061 0.000 1.898 461 A HA -0.164 4.159 4.320 0.005 0.000 0.216 461 A C 1.764 179.391 177.584 0.071 0.000 1.181 461 A CA 1.742 53.814 52.037 0.059 0.000 0.620 461 A CB -0.513 18.524 19.000 0.062 0.000 0.819 461 A HN 0.486 nan 8.150 nan 0.000 0.442 462 D N 0.296 120.755 120.400 0.099 0.000 2.117 462 D HA -0.076 4.567 4.640 0.005 0.000 0.197 462 D C 2.220 178.497 176.300 -0.038 0.000 0.987 462 D CA 1.534 55.604 54.000 0.117 0.000 0.829 462 D CB -0.458 40.456 40.800 0.190 0.000 0.961 462 D HN 0.433 nan 8.370 nan 0.000 0.460 463 A N 1.244 124.041 122.820 -0.038 0.000 1.933 463 A HA -0.030 4.292 4.320 0.005 0.000 0.218 463 A C 2.346 179.866 177.584 -0.107 0.000 1.175 463 A CA 2.088 54.053 52.037 -0.119 0.000 0.628 463 A CB -0.627 18.343 19.000 -0.050 0.000 0.814 463 A HN 0.236 nan 8.150 nan 0.000 0.444 464 A N -0.255 122.542 122.820 -0.038 0.000 1.877 464 A HA -0.213 4.110 4.320 0.005 0.000 0.216 464 A C 2.053 179.621 177.584 -0.027 0.000 1.186 464 A CA 1.859 53.881 52.037 -0.025 0.000 0.620 464 A CB -0.603 18.400 19.000 0.005 0.000 0.822 464 A HN 0.673 nan 8.150 nan 0.000 0.443 465 E N -0.239 119.959 120.200 -0.004 0.000 2.058 465 E HA -0.190 4.163 4.350 0.005 0.000 0.194 465 E C 1.955 178.538 176.600 -0.029 0.000 0.997 465 E CA 1.310 57.722 56.400 0.020 0.000 0.801 465 E CB -0.215 29.547 29.700 0.104 0.000 0.746 465 E HN 0.623 nan 8.360 nan 0.000 0.450 466 L N 0.497 121.646 121.223 -0.124 0.000 2.093 466 L HA -0.164 4.179 4.340 0.005 0.000 0.208 466 L C 2.633 179.420 176.870 -0.138 0.000 1.085 466 L CA 1.207 55.933 54.840 -0.191 0.000 0.755 466 L CB -0.246 41.592 42.059 -0.369 0.000 0.904 466 L HN 0.049 nan 8.230 nan 0.000 0.435 467 K N -0.008 120.312 120.400 -0.133 0.000 2.057 467 K HA -0.155 4.167 4.320 0.005 0.000 0.207 467 K C 2.246 178.811 176.600 -0.059 0.000 1.049 467 K CA 1.359 57.585 56.287 -0.102 0.000 0.931 467 K CB -0.288 32.155 32.500 -0.096 0.000 0.714 467 K HN 0.286 nan 8.250 nan 0.000 0.440 468 A N 1.744 124.539 122.820 -0.041 0.000 1.908 468 A HA -0.224 4.099 4.320 0.005 0.000 0.218 468 A C 1.961 179.534 177.584 -0.017 0.000 1.181 468 A CA 1.715 53.739 52.037 -0.021 0.000 0.627 468 A CB -0.312 18.684 19.000 -0.007 0.000 0.818 468 A HN 0.171 nan 8.150 nan 0.000 0.445 469 K N -0.711 119.678 120.400 -0.019 0.000 2.097 469 K HA -0.018 4.304 4.320 0.005 0.000 0.205 469 K C 1.833 178.422 176.600 -0.019 0.000 1.050 469 K CA 1.199 57.480 56.287 -0.010 0.000 0.938 469 K CB -0.277 32.225 32.500 0.003 0.000 0.718 469 K HN 0.265 nan 8.250 nan 0.000 0.442 470 V N 1.412 121.304 119.914 -0.037 0.000 2.295 470 V HA -0.249 3.874 4.120 0.005 0.000 0.246 470 V C 2.082 178.162 176.094 -0.023 0.000 1.049 470 V CA 1.671 63.950 62.300 -0.035 0.000 1.024 470 V CB -0.340 31.451 31.823 -0.052 0.000 0.648 470 V HN 0.294 nan 8.190 nan 0.000 0.447 471 L N -0.029 121.180 121.223 -0.024 0.000 2.141 471 L HA -0.100 4.243 4.340 0.005 0.000 0.209 471 L C 2.576 179.440 176.870 -0.011 0.000 1.094 471 L CA 1.390 56.219 54.840 -0.018 0.000 0.763 471 L CB -0.720 41.327 42.059 -0.020 0.000 0.908 471 L HN 0.365 nan 8.230 nan 0.000 0.437 472 A N -0.072 122.743 122.820 -0.009 0.000 2.119 472 A HA -0.131 4.192 4.320 0.005 0.000 0.217 472 A C 2.445 180.027 177.584 -0.002 0.000 1.153 472 A CA 1.360 53.395 52.037 -0.004 0.000 0.692 472 A CB -0.431 18.569 19.000 -0.000 0.000 0.799 472 A HN 0.510 nan 8.150 nan 0.000 0.458 473 S N -1.859 113.839 115.700 -0.003 0.000 2.453 473 S HA 0.291 4.764 4.470 0.005 0.000 0.231 473 S C 1.584 176.184 174.600 0.000 0.000 1.005 473 S CA 1.291 59.490 58.200 -0.001 0.000 0.949 473 S CB -0.326 62.873 63.200 -0.002 0.000 0.774 473 S HN 1.817 nan 8.310 nan 0.000 0.510 474 G N 0.565 109.364 108.800 -0.001 0.000 2.194 474 G HA2 -0.202 3.761 3.960 0.005 0.000 0.236 474 G HA3 -0.202 3.761 3.960 0.005 0.000 0.236 474 G C -0.024 174.876 174.900 -0.000 0.000 0.987 474 G CA -0.015 45.084 45.100 -0.000 0.000 0.635 474 G HN 0.519 nan 8.290 nan 0.000 0.520 475 L N 2.481 123.704 121.223 -0.001 0.000 2.490 475 L HA 0.394 4.737 4.340 0.005 0.000 0.274 475 L C 1.667 178.537 176.870 -0.001 0.000 1.201 475 L CA 0.672 55.513 54.840 0.001 0.000 0.869 475 L CB 0.582 42.642 42.059 0.002 0.000 1.123 475 L HN 0.466 nan 8.230 nan 0.000 0.484 476 T N -0.497 114.057 114.554 0.001 0.000 2.874 476 T HA 0.241 4.594 4.350 0.005 0.000 0.281 476 T C 1.305 175.999 174.700 -0.010 0.000 0.994 476 T CA -0.971 61.126 62.100 -0.005 0.000 1.015 476 T CB 1.527 70.394 68.868 -0.002 0.000 1.028 476 T HN 0.238 nan 8.240 nan 0.000 0.523 477 V N 1.406 121.306 119.914 -0.023 0.000 2.252 477 V HA -0.202 3.921 4.120 0.005 0.000 0.249 477 V C 3.056 179.131 176.094 -0.031 0.000 1.056 477 V CA 2.583 64.859 62.300 -0.041 0.000 1.022 477 V CB -1.214 30.573 31.823 -0.060 0.000 0.641 477 V HN 1.117 nan 8.190 nan 0.000 0.445 478 S N -1.072 114.615 115.700 -0.022 0.000 2.359 478 S HA -0.318 4.155 4.470 0.005 0.000 0.224 478 S C 2.039 176.653 174.600 0.023 0.000 1.035 478 S CA 2.253 60.448 58.200 -0.007 0.000 1.018 478 S CB -0.277 62.920 63.200 -0.005 0.000 0.876 478 S HN 0.713 nan 8.310 nan 0.000 0.448 479 Q N 0.108 119.922 119.800 0.024 0.000 2.084 479 Q HA -0.048 4.295 4.340 0.005 0.000 0.202 479 Q C 2.337 178.374 176.000 0.061 0.000 0.978 479 Q CA 1.730 57.557 55.803 0.040 0.000 0.844 479 Q CB -0.283 28.471 28.738 0.028 0.000 0.898 479 Q HN 0.541 nan 8.270 nan 0.000 0.426 480 L N -0.466 120.786 121.223 0.049 0.000 2.044 480 L HA -0.151 4.192 4.340 0.005 0.000 0.205 480 L C 2.342 179.294 176.870 0.135 0.000 1.075 480 L CA 0.665 55.547 54.840 0.069 0.000 0.747 480 L CB -0.442 41.636 42.059 0.031 0.000 0.903 480 L HN 0.079 nan 8.230 nan 0.000 0.435 481 V N -0.720 119.253 119.914 0.098 0.000 2.295 481 V HA -0.257 3.866 4.120 0.005 0.000 0.246 481 V C 2.590 178.885 176.094 0.336 0.000 1.049 481 V CA 2.063 64.465 62.300 0.169 0.000 1.024 481 V CB -0.451 31.350 31.823 -0.036 0.000 0.648 481 V HN 0.379 nan 8.190 nan 0.000 0.447 482 S N -0.098 115.731 115.700 0.215 0.000 2.370 482 S HA -0.227 4.246 4.470 0.005 0.000 0.226 482 S C 2.065 176.828 174.600 0.272 0.000 1.033 482 S CA 2.047 60.394 58.200 0.245 0.000 1.011 482 S CB -0.546 62.741 63.200 0.145 0.000 0.852 482 S HN 0.690 nan 8.310 nan 0.000 0.457 483 T N 2.366 117.038 114.554 0.197 0.000 2.708 483 T HA -0.034 4.319 4.350 0.005 0.000 0.266 483 T C 2.157 176.956 174.700 0.165 0.000 1.037 483 T CA 1.295 63.485 62.100 0.150 0.000 1.146 483 T CB -0.503 68.426 68.868 0.102 0.000 0.865 483 T HN 0.484 nan 8.240 nan 0.000 0.435 484 A N 1.022 123.987 122.820 0.242 0.000 1.929 484 A HA -0.052 4.271 4.320 0.005 0.000 0.216 484 A C 2.140 179.806 177.584 0.137 0.000 1.176 484 A CA 0.997 53.155 52.037 0.202 0.000 0.628 484 A CB -1.006 18.205 19.000 0.351 0.000 0.816 484 A HN 0.751 nan 8.150 nan 0.000 0.444 485 W N 0.925 122.302 121.300 0.128 0.000 2.355 485 W HA -0.213 4.449 4.660 0.004 0.000 0.309 485 W C 2.203 178.735 176.519 0.022 0.000 1.206 485 W CA 2.011 59.378 57.345 0.036 0.000 1.284 485 W CB -0.288 29.280 29.460 0.180 0.000 1.145 485 W HN 0.417 nan 8.180 nan 0.000 0.502 486 A N 1.016 123.891 122.820 0.090 0.000 1.940 486 A HA -0.110 4.213 4.320 0.005 0.000 0.219 486 A C 2.157 179.685 177.584 -0.094 0.000 1.176 486 A CA 2.704 54.738 52.037 -0.004 0.000 0.631 486 A CB -1.293 17.768 19.000 0.103 0.000 0.814 486 A HN 0.347 nan 8.150 nan 0.000 0.446 487 A N -0.458 122.315 122.820 -0.078 0.000 1.873 487 A HA 0.215 4.538 4.320 0.005 0.000 0.215 487 A C 2.433 179.922 177.584 -0.159 0.000 1.186 487 A CA 2.090 54.072 52.037 -0.092 0.000 0.616 487 A CB -0.817 18.149 19.000 -0.057 0.000 0.823 487 A HN 1.044 nan 8.150 nan 0.000 0.442 488 A N -0.319 122.335 122.820 -0.276 0.000 2.030 488 A HA 0.134 4.457 4.320 0.005 0.000 0.215 488 A C 2.184 179.523 177.584 -0.409 0.000 1.164 488 A CA 1.463 53.300 52.037 -0.334 0.000 0.697 488 A CB -0.567 18.172 19.000 -0.435 0.000 0.827 488 A HN 0.933 nan 8.150 nan 0.000 0.457 489 S N 0.076 115.379 115.700 -0.663 0.000 2.650 489 S HA -0.046 4.427 4.470 0.005 0.000 0.219 489 S C 1.394 175.802 174.600 -0.320 0.000 0.960 489 S CA 1.069 58.798 58.200 -0.785 0.000 0.925 489 S CB -1.034 61.118 63.200 -1.746 0.000 0.775 489 S HN 0.628 nan 8.310 nan 0.000 0.525 490 T N -1.441 113.025 114.554 -0.145 0.000 3.118 490 T HA 0.189 4.542 4.350 0.005 0.000 0.260 490 T C 0.227 174.944 174.700 0.028 0.000 1.139 490 T CA -0.401 61.703 62.100 0.005 0.000 1.085 490 T CB -0.752 68.179 68.868 0.104 0.000 0.934 490 T HN 0.418 nan 8.240 nan 0.000 0.518 491 F N 4.133 124.017 119.950 -0.110 0.000 2.471 491 F HA 0.397 4.927 4.527 0.004 0.000 0.353 491 F C 0.556 176.334 175.800 -0.038 0.000 1.113 491 F CA -1.178 56.785 58.000 -0.061 0.000 1.262 491 F CB 0.677 39.618 39.000 -0.100 0.000 1.146 491 F HN 0.131 nan 8.300 nan 0.000 0.578 492 R N 3.993 123.996 120.500 -0.828 0.000 2.628 492 R HA 0.490 4.833 4.340 0.005 0.000 0.288 492 R C 0.185 176.035 176.300 -0.751 0.000 0.980 492 R CA -0.537 55.258 56.100 -0.509 0.000 0.891 492 R CB 1.251 31.406 30.300 -0.242 0.000 1.188 492 R HN 0.772 nan 8.270 nan 0.000 0.450 493 G N 0.870 109.545 108.800 -0.209 0.000 2.650 493 G HA2 -0.204 3.759 3.960 0.005 0.000 0.214 493 G HA3 -0.204 3.759 3.960 0.005 0.000 0.214 493 G C 1.160 176.055 174.900 -0.007 0.000 1.136 493 G CA 0.602 45.722 45.100 0.033 0.000 0.789 493 G HN 0.739 nan 8.290 nan 0.000 0.536 494 S N 1.495 117.159 115.700 -0.060 0.000 2.356 494 S HA -0.137 4.336 4.470 0.005 0.000 0.223 494 S C 1.594 176.200 174.600 0.011 0.000 1.032 494 S CA 1.659 59.850 58.200 -0.015 0.000 1.005 494 S CB -0.110 63.068 63.200 -0.038 0.000 0.867 494 S HN 0.462 nan 8.310 nan 0.000 0.449 495 D N -0.292 120.097 120.400 -0.018 0.000 2.527 495 D HA 0.189 4.832 4.640 0.005 0.000 0.224 495 D C 0.023 176.285 176.300 -0.063 0.000 1.217 495 D CA -0.283 53.727 54.000 0.016 0.000 0.819 495 D CB -0.552 40.357 40.800 0.182 0.000 1.061 495 D HN 0.422 nan 8.370 nan 0.000 0.515 496 K N 0.238 120.531 120.400 -0.177 0.000 3.088 496 K HA -0.229 4.094 4.320 0.005 0.000 0.273 496 K C -0.088 176.423 176.600 -0.149 0.000 1.111 496 K CA 0.626 56.795 56.287 -0.196 0.000 0.803 496 K CB -1.289 31.238 32.500 0.044 0.000 1.226 496 K HN 0.338 nan 8.250 nan 0.000 0.485 497 R N 0.249 120.623 120.500 -0.210 0.000 2.543 497 R HA 0.561 4.904 4.340 0.005 0.000 0.268 497 R C 0.980 177.221 176.300 -0.098 0.000 1.067 497 R CA 0.074 56.132 56.100 -0.070 0.000 1.142 497 R CB 0.962 31.266 30.300 0.006 0.000 1.110 497 R HN 0.314 nan 8.270 nan 0.000 0.549 498 G N -0.612 108.220 108.800 0.053 0.000 2.728 498 G HA2 0.221 4.184 3.960 0.005 0.000 0.294 498 G HA3 0.221 4.184 3.960 0.005 0.000 0.294 498 G C -0.023 175.014 174.900 0.228 0.000 1.342 498 G CA -0.428 44.730 45.100 0.098 0.000 0.866 498 G HN 1.151 nan 8.290 nan 0.000 0.534 499 G N -2.642 106.258 108.800 0.166 0.000 2.592 499 G HA2 0.482 4.445 3.960 0.005 0.000 0.684 499 G HA3 0.482 4.445 3.960 0.005 0.000 0.684 499 G C 0.924 175.822 174.900 -0.003 0.000 1.291 499 G CA 0.988 46.146 45.100 0.096 0.000 0.891 499 G HN 2.448 nan 8.290 nan 0.000 0.544 500 A N -0.281 122.497 122.820 -0.070 0.000 2.072 500 A HA 0.309 4.632 4.320 0.005 0.000 0.216 500 A C 1.286 178.846 177.584 -0.041 0.000 1.156 500 A CA 1.527 53.522 52.037 -0.070 0.000 0.701 500 A CB -0.300 18.639 19.000 -0.102 0.000 0.816 500 A HN 1.169 nan 8.150 nan 0.000 0.458 501 N N -0.063 118.616 118.700 -0.035 0.000 2.458 501 N HA 0.309 5.052 4.740 0.005 0.000 0.258 501 N C 1.126 176.633 175.510 -0.006 0.000 1.219 501 N CA 1.616 54.655 53.050 -0.020 0.000 0.902 501 N CB 0.564 39.042 38.487 -0.015 0.000 1.076 501 N HN 0.596 nan 8.380 nan 0.000 0.455 502 G N 2.174 110.971 108.800 -0.006 0.000 2.254 502 G HA2 -0.134 3.829 3.960 0.005 0.000 0.225 502 G HA3 -0.134 3.829 3.960 0.005 0.000 0.225 502 G C 0.406 175.298 174.900 -0.014 0.000 1.003 502 G CA 0.356 45.451 45.100 -0.008 0.000 0.622 502 G HN 1.639 nan 8.290 nan 0.000 0.507 503 A N -0.513 122.297 122.820 -0.017 0.000 2.640 503 A HA -0.255 4.068 4.320 0.005 0.000 0.300 503 A C 1.461 179.019 177.584 -0.044 0.000 1.499 503 A CA 2.275 54.297 52.037 -0.025 0.000 0.759 503 A CB -1.624 17.368 19.000 -0.013 0.000 1.048 503 A HN 1.025 nan 8.150 nan 0.000 0.450 504 R N -0.646 119.820 120.500 -0.056 0.000 2.307 504 R HA 0.166 4.509 4.340 0.005 0.000 0.199 504 R C 1.911 178.126 176.300 -0.141 0.000 1.000 504 R CA 0.888 56.936 56.100 -0.086 0.000 1.023 504 R CB -0.163 30.089 30.300 -0.079 0.000 0.908 504 R HN 0.820 nan 8.270 nan 0.000 0.473 505 I N 2.121 122.616 120.570 -0.125 0.000 2.530 505 I HA -0.284 3.889 4.170 0.005 0.000 0.257 505 I C 2.212 178.250 176.117 -0.133 0.000 1.179 505 I CA 1.303 62.513 61.300 -0.150 0.000 1.440 505 I CB 0.013 37.959 38.000 -0.089 0.000 1.087 505 I HN 0.145 nan 8.210 nan 0.000 0.440 506 R N 0.212 120.655 120.500 -0.096 0.000 2.297 506 R HA 0.143 4.485 4.340 0.005 0.000 0.197 506 R C 0.318 176.567 176.300 -0.085 0.000 0.943 506 R CA 0.047 56.103 56.100 -0.075 0.000 1.038 506 R CB -0.114 30.158 30.300 -0.046 0.000 0.957 506 R HN 0.287 nan 8.270 nan 0.000 0.484 507 L N 0.617 121.773 121.223 -0.113 0.000 2.335 507 L HA 0.594 4.937 4.340 0.005 0.000 0.268 507 L C 0.186 176.968 176.870 -0.146 0.000 1.016 507 L CA -1.472 53.306 54.840 -0.103 0.000 0.805 507 L CB 1.284 43.292 42.059 -0.085 0.000 1.311 507 L HN 0.004 nan 8.230 nan 0.000 0.456 508 A N 1.230 123.985 122.820 -0.109 0.000 2.462 508 A HA 0.362 4.685 4.320 0.005 0.000 0.243 508 A C -1.825 175.674 177.584 -0.142 0.000 1.076 508 A CA -0.835 51.130 52.037 -0.120 0.000 0.773 508 A CB -0.151 18.818 19.000 -0.051 0.000 1.010 508 A HN 0.601 nan 8.150 nan 0.000 0.493 509 P HA 0.017 nan 4.420 nan 0.000 0.257 509 P C 0.778 177.630 177.300 -0.746 0.000 1.241 509 P CA 0.430 63.375 63.100 -0.258 0.000 0.816 509 P CB 0.371 32.068 31.700 -0.005 0.000 1.150 510 Q N 1.337 120.542 119.800 -0.991 0.000 2.135 510 Q HA -0.175 4.168 4.340 0.005 0.000 0.204 510 Q C 2.082 177.652 176.000 -0.716 0.000 0.981 510 Q CA 1.803 56.729 55.803 -1.462 0.000 0.856 510 Q CB -0.442 27.721 28.738 -0.959 0.000 0.902 510 Q HN 0.459 nan 8.270 nan 0.000 0.425 511 K N 0.173 120.333 120.400 -0.400 0.000 2.362 511 K HA -0.114 4.209 4.320 0.005 0.000 0.200 511 K C 0.586 177.117 176.600 -0.114 0.000 1.046 511 K CA 1.485 57.656 56.287 -0.194 0.000 0.952 511 K CB 0.250 32.672 32.500 -0.130 0.000 0.753 511 K HN 0.088 nan 8.250 nan 0.000 0.466 512 D N -0.240 120.081 120.400 -0.132 0.000 2.369 512 D HA -0.000 4.643 4.640 0.005 0.000 0.211 512 D C -0.271 176.124 176.300 0.158 0.000 1.077 512 D CA -0.044 53.963 54.000 0.012 0.000 0.842 512 D CB 0.109 40.928 40.800 0.030 0.000 0.947 512 D HN 0.163 nan 8.370 nan 0.000 0.509 513 W N 2.448 123.756 121.300 0.013 0.000 2.210 513 W HA 0.093 4.760 4.660 0.012 0.000 0.330 513 W C 1.808 178.323 176.519 -0.008 0.000 1.334 513 W CA -0.944 56.408 57.345 0.012 0.000 1.227 513 W CB 0.380 29.841 29.460 0.003 0.000 1.178 513 W HN 0.066 nan 8.180 nan 0.000 0.560 514 E N 2.449 122.784 120.200 0.225 0.000 2.085 514 E HA -0.213 4.140 4.350 0.005 0.000 0.194 514 E C 2.030 178.589 176.600 -0.067 0.000 0.994 514 E CA 1.871 58.338 56.400 0.111 0.000 0.801 514 E CB 0.102 29.910 29.700 0.178 0.000 0.743 514 E HN 0.486 nan 8.360 nan 0.000 0.453 515 A N 0.921 123.579 122.820 -0.270 0.000 2.024 515 A HA -0.170 4.153 4.320 0.005 0.000 0.220 515 A C 1.686 179.172 177.584 -0.163 0.000 1.164 515 A CA 1.476 53.139 52.037 -0.623 0.000 0.643 515 A CB -0.398 18.206 19.000 -0.660 0.000 0.806 515 A HN 0.249 nan 8.150 nan 0.000 0.451 516 N N -0.035 118.684 118.700 0.032 0.000 2.398 516 N HA 0.040 4.783 4.740 0.005 0.000 0.188 516 N C -0.511 175.029 175.510 0.050 0.000 1.122 516 N CA 0.419 53.516 53.050 0.078 0.000 0.866 516 N CB -0.159 38.400 38.487 0.120 0.000 0.970 516 N HN 0.581 nan 8.380 nan 0.000 0.462 517 Q N -1.093 118.726 119.800 0.032 0.000 2.453 517 Q HA -0.159 4.183 4.340 0.005 0.000 0.350 517 Q C -1.877 174.146 176.000 0.039 0.000 1.447 517 Q CA -0.165 55.660 55.803 0.036 0.000 0.968 517 Q CB -1.307 27.452 28.738 0.036 0.000 1.175 517 Q HN 0.272 nan 8.270 nan 0.000 0.354 518 P HA -0.256 nan 4.420 nan 0.000 0.216 518 P C 1.083 178.398 177.300 0.024 0.000 1.154 518 P CA 1.430 64.549 63.100 0.032 0.000 0.865 518 P CB 0.158 31.882 31.700 0.040 0.000 0.789 519 E N -0.467 119.750 120.200 0.028 0.000 2.072 519 E HA -0.212 4.141 4.350 0.005 0.000 0.190 519 E C 2.145 178.758 176.600 0.022 0.000 0.982 519 E CA 0.977 57.392 56.400 0.024 0.000 0.803 519 E CB -0.676 29.039 29.700 0.025 0.000 0.755 519 E HN 0.453 nan 8.360 nan 0.000 0.453 520 Q N 0.836 120.652 119.800 0.026 0.000 2.046 520 Q HA -0.162 4.180 4.340 0.005 0.000 0.200 520 Q C 2.372 178.387 176.000 0.025 0.000 0.975 520 Q CA 0.927 56.746 55.803 0.027 0.000 0.836 520 Q CB -0.107 28.651 28.738 0.032 0.000 0.896 520 Q HN 0.171 nan 8.270 nan 0.000 0.428 521 L N 1.031 122.269 121.223 0.026 0.000 1.990 521 L HA -0.188 4.154 4.340 0.005 0.000 0.213 521 L C 2.314 179.191 176.870 0.011 0.000 1.072 521 L CA 2.476 57.329 54.840 0.021 0.000 0.755 521 L CB -1.070 40.998 42.059 0.015 0.000 0.889 521 L HN 0.302 nan 8.230 nan 0.000 0.432 522 A N -0.558 122.267 122.820 0.008 0.000 1.892 522 A HA -0.198 4.125 4.320 0.005 0.000 0.218 522 A C 2.455 180.043 177.584 0.006 0.000 1.188 522 A CA 2.352 54.391 52.037 0.004 0.000 0.631 522 A CB -1.313 17.690 19.000 0.005 0.000 0.822 522 A HN 0.644 nan 8.150 nan 0.000 0.447 523 A N -0.753 122.074 122.820 0.011 0.000 1.898 523 A HA 0.040 4.363 4.320 0.005 0.000 0.216 523 A C 2.239 179.830 177.584 0.011 0.000 1.181 523 A CA 1.739 53.782 52.037 0.011 0.000 0.620 523 A CB -0.912 18.095 19.000 0.013 0.000 0.819 523 A HN 0.417 nan 8.150 nan 0.000 0.442 524 V N 0.266 120.188 119.914 0.014 0.000 2.295 524 V HA -0.256 3.867 4.120 0.005 0.000 0.246 524 V C 2.550 178.650 176.094 0.010 0.000 1.049 524 V CA 1.938 64.248 62.300 0.015 0.000 1.024 524 V CB -0.812 31.026 31.823 0.025 0.000 0.648 524 V HN 0.561 nan 8.190 nan 0.000 0.447 525 L N -0.165 121.062 121.223 0.007 0.000 2.093 525 L HA -0.189 4.154 4.340 0.005 0.000 0.208 525 L C 2.596 179.466 176.870 0.001 0.000 1.085 525 L CA 1.886 56.727 54.840 0.002 0.000 0.755 525 L CB -0.568 41.488 42.059 -0.004 0.000 0.904 525 L HN 0.463 nan 8.230 nan 0.000 0.435 526 E N -0.032 120.170 120.200 0.003 0.000 2.077 526 E HA -0.209 4.144 4.350 0.005 0.000 0.193 526 E C 1.968 178.570 176.600 0.004 0.000 0.989 526 E CA 1.874 58.275 56.400 0.003 0.000 0.800 526 E CB 0.109 29.811 29.700 0.004 0.000 0.746 526 E HN 0.341 nan 8.360 nan 0.000 0.452 527 T N 1.366 115.923 114.554 0.005 0.000 2.746 527 T HA -0.113 4.240 4.350 0.005 0.000 0.267 527 T C 1.864 176.565 174.700 0.002 0.000 1.039 527 T CA 1.159 63.261 62.100 0.004 0.000 1.142 527 T CB -0.179 68.691 68.868 0.004 0.000 0.866 527 T HN 0.157 nan 8.240 nan 0.000 0.444 528 L N 0.751 121.974 121.223 -0.000 0.000 2.046 528 L HA -0.092 4.251 4.340 0.005 0.000 0.208 528 L C 2.889 179.757 176.870 -0.002 0.000 1.077 528 L CA 1.128 55.964 54.840 -0.006 0.000 0.747 528 L CB -0.487 41.567 42.059 -0.008 0.000 0.896 528 L HN 0.143 nan 8.230 nan 0.000 0.432 529 E N 0.427 120.628 120.200 0.002 0.000 2.110 529 E HA -0.168 4.185 4.350 0.005 0.000 0.193 529 E C 2.171 178.778 176.600 0.012 0.000 0.988 529 E CA 1.386 57.789 56.400 0.006 0.000 0.804 529 E CB -0.113 29.589 29.700 0.003 0.000 0.745 529 E HN 0.395 nan 8.360 nan 0.000 0.458 530 A N 0.501 123.328 122.820 0.011 0.000 1.902 530 A HA -0.127 4.196 4.320 0.005 0.000 0.217 530 A C 2.406 180.005 177.584 0.025 0.000 1.181 530 A CA 1.287 53.333 52.037 0.015 0.000 0.623 530 A CB -0.613 18.394 19.000 0.012 0.000 0.818 530 A HN 0.284 nan 8.150 nan 0.000 0.443 531 I N -1.060 119.522 120.570 0.021 0.000 2.179 531 I HA -0.252 3.921 4.170 0.005 0.000 0.242 531 I C 2.734 178.887 176.117 0.061 0.000 1.088 531 I CA 1.642 62.961 61.300 0.031 0.000 1.357 531 I CB -0.319 37.683 38.000 0.003 0.000 1.051 531 I HN 0.374 nan 8.210 nan 0.000 0.409 532 R N 0.457 120.981 120.500 0.040 0.000 2.073 532 R HA -0.175 4.168 4.340 0.005 0.000 0.234 532 R C 2.312 178.673 176.300 0.103 0.000 1.134 532 R CA 2.154 58.292 56.100 0.064 0.000 0.952 532 R CB -0.348 29.968 30.300 0.026 0.000 0.850 532 R HN 0.234 nan 8.270 nan 0.000 0.433 533 T N 0.584 115.174 114.554 0.060 0.000 2.684 533 T HA -0.138 4.215 4.350 0.005 0.000 0.267 533 T C 1.743 176.474 174.700 0.050 0.000 1.036 533 T CA 1.526 63.653 62.100 0.044 0.000 1.148 533 T CB -0.293 68.589 68.868 0.023 0.000 0.863 533 T HN 0.498 nan 8.240 nan 0.000 0.436 534 A N 0.756 123.613 122.820 0.061 0.000 1.877 534 A HA -0.040 4.283 4.320 0.005 0.000 0.216 534 A C 2.031 179.657 177.584 0.069 0.000 1.186 534 A CA 1.519 53.588 52.037 0.053 0.000 0.620 534 A CB -1.003 18.030 19.000 0.054 0.000 0.822 534 A HN 0.521 nan 8.150 nan 0.000 0.443 535 F N 1.431 121.370 119.950 -0.018 0.000 2.075 535 F HA -0.213 4.316 4.527 0.003 0.000 0.297 535 F C 1.989 177.775 175.800 -0.024 0.000 1.113 535 F CA 2.177 60.165 58.000 -0.019 0.000 1.218 535 F CB -0.248 38.740 39.000 -0.020 0.000 0.984 535 F HN 0.204 nan 8.300 nan 0.000 0.472 536 N N 0.478 119.239 118.700 0.102 0.000 2.223 536 N HA -0.092 4.651 4.740 0.005 0.000 0.185 536 N C 1.983 177.430 175.510 -0.105 0.000 1.016 536 N CA 1.255 54.298 53.050 -0.011 0.000 0.863 536 N CB -1.051 37.465 38.487 0.049 0.000 0.983 536 N HN 0.480 nan 8.380 nan 0.000 0.429 537 G N -0.285 108.470 108.800 -0.076 0.000 2.511 537 G HA2 0.010 3.973 3.960 0.005 0.000 0.217 537 G HA3 0.010 3.973 3.960 0.005 0.000 0.217 537 G C 1.304 176.139 174.900 -0.109 0.000 1.133 537 G CA 0.686 45.743 45.100 -0.072 0.000 0.792 537 G HN 0.396 nan 8.290 nan 0.000 0.539 538 A N -0.629 122.088 122.820 -0.172 0.000 2.251 538 A HA 0.317 4.640 4.320 0.005 0.000 0.209 538 A C 1.175 178.614 177.584 -0.242 0.000 1.187 538 A CA 0.191 52.113 52.037 -0.192 0.000 0.823 538 A CB 0.054 18.933 19.000 -0.201 0.000 0.846 538 A HN 0.272 nan 8.150 nan 0.000 0.486 539 Q N 0.515 120.148 119.800 -0.278 0.000 2.260 539 Q HA 0.453 4.796 4.340 0.005 0.000 0.242 539 Q C -0.314 175.605 176.000 -0.136 0.000 0.932 539 Q CA -0.115 55.535 55.803 -0.254 0.000 0.891 539 Q CB 0.897 29.468 28.738 -0.278 0.000 1.222 539 Q HN 0.208 nan 8.270 nan 0.000 0.453 540 R N -0.731 119.708 120.500 -0.101 0.000 2.828 540 R HA 0.600 4.943 4.340 0.005 0.000 0.264 540 R C 0.729 177.008 176.300 -0.035 0.000 1.022 540 R CA -0.244 55.821 56.100 -0.058 0.000 1.021 540 R CB 0.830 31.102 30.300 -0.046 0.000 1.163 540 R HN 0.853 nan 8.270 nan 0.000 0.494 541 G N -0.463 108.326 108.800 -0.018 0.000 2.162 541 G HA2 -0.241 3.721 3.960 0.005 0.000 0.260 541 G HA3 -0.241 3.721 3.960 0.005 0.000 0.260 541 G C 0.779 175.688 174.900 0.015 0.000 0.976 541 G CA 0.781 45.882 45.100 0.000 0.000 0.655 541 G HN 1.297 nan 8.290 nan 0.000 0.533 542 G N -0.706 108.097 108.800 0.004 0.000 2.175 542 G HA2 -0.233 3.730 3.960 0.005 0.000 0.244 542 G HA3 -0.233 3.730 3.960 0.005 0.000 0.244 542 G C 0.343 175.261 174.900 0.030 0.000 0.982 542 G CA 1.242 46.353 45.100 0.019 0.000 0.641 542 G HN 1.454 nan 8.290 nan 0.000 0.527 543 K N 1.077 121.496 120.400 0.031 0.000 2.448 543 K HA 0.417 4.740 4.320 0.005 0.000 0.278 543 K C 0.510 177.102 176.600 -0.013 0.000 1.009 543 K CA 0.660 56.987 56.287 0.068 0.000 0.995 543 K CB 0.113 32.664 32.500 0.085 0.000 0.917 543 K HN 0.703 nan 8.250 nan 0.000 0.481 544 Q N 1.172 120.936 119.800 -0.060 0.000 2.575 544 Q HA 0.425 4.768 4.340 0.005 0.000 0.290 544 Q C -1.912 174.102 176.000 0.024 0.000 0.963 544 Q CA -1.156 54.611 55.803 -0.060 0.000 0.783 544 Q CB 1.706 30.284 28.738 -0.268 0.000 1.467 544 Q HN 0.343 nan 8.270 nan 0.000 0.402 545 V N 1.706 121.692 119.914 0.120 0.000 2.513 545 V HA 0.581 4.704 4.120 0.005 0.000 0.299 545 V C -0.299 175.825 176.094 0.049 0.000 1.035 545 V CA 0.013 62.360 62.300 0.078 0.000 0.889 545 V CB 1.911 33.697 31.823 -0.061 0.000 0.988 545 V HN 0.958 nan 8.190 nan 0.000 0.440 546 S N 5.625 121.377 115.700 0.087 0.000 2.603 546 S HA 0.205 4.678 4.470 0.005 0.000 0.268 546 S C 0.848 175.471 174.600 0.038 0.000 1.317 546 S CA -0.237 58.003 58.200 0.067 0.000 1.012 546 S CB 1.251 64.508 63.200 0.094 0.000 0.926 546 S HN 0.803 nan 8.310 nan 0.000 0.539 547 L N 1.916 123.154 121.223 0.024 0.000 2.141 547 L HA 0.083 4.426 4.340 0.005 0.000 0.209 547 L C 2.580 179.461 176.870 0.018 0.000 1.094 547 L CA 2.118 56.964 54.840 0.011 0.000 0.763 547 L CB -1.447 40.614 42.059 0.004 0.000 0.908 547 L HN 0.965 nan 8.230 nan 0.000 0.437 548 A N -0.703 122.133 122.820 0.026 0.000 1.865 548 A HA -0.262 4.061 4.320 0.005 0.000 0.217 548 A C 2.071 179.692 177.584 0.062 0.000 1.191 548 A CA 2.066 54.120 52.037 0.028 0.000 0.623 548 A CB -0.923 18.089 19.000 0.021 0.000 0.826 548 A HN 0.480 nan 8.150 nan 0.000 0.444 549 D N -0.654 119.806 120.400 0.100 0.000 2.123 549 D HA -0.133 4.510 4.640 0.005 0.000 0.196 549 D C 1.824 178.202 176.300 0.130 0.000 0.992 549 D CA 1.361 55.492 54.000 0.219 0.000 0.833 549 D CB -0.355 40.606 40.800 0.270 0.000 0.954 549 D HN 0.322 nan 8.370 nan 0.000 0.455 550 L N 0.677 121.911 121.223 0.018 0.000 2.093 550 L HA -0.035 4.308 4.340 0.005 0.000 0.208 550 L C 2.076 178.917 176.870 -0.048 0.000 1.085 550 L CA 1.118 55.914 54.840 -0.074 0.000 0.755 550 L CB -0.435 41.578 42.059 -0.077 0.000 0.904 550 L HN 0.006 nan 8.230 nan 0.000 0.435 551 I N -1.687 118.884 120.570 0.002 0.000 2.179 551 I HA -0.296 3.877 4.170 0.005 0.000 0.242 551 I C 2.291 178.440 176.117 0.053 0.000 1.088 551 I CA 1.307 62.620 61.300 0.022 0.000 1.357 551 I CB -0.354 37.659 38.000 0.023 0.000 1.051 551 I HN 0.068 nan 8.210 nan 0.000 0.409 552 V N 0.478 120.440 119.914 0.080 0.000 2.307 552 V HA -0.266 3.857 4.120 0.005 0.000 0.245 552 V C 2.377 178.544 176.094 0.122 0.000 1.045 552 V CA 1.525 63.911 62.300 0.143 0.000 1.024 552 V CB -0.578 31.373 31.823 0.214 0.000 0.651 552 V HN 0.343 nan 8.190 nan 0.000 0.449 553 L N 1.024 122.178 121.223 -0.115 0.000 2.043 553 L HA -0.164 4.179 4.340 0.005 0.000 0.212 553 L C 2.442 179.199 176.870 -0.188 0.000 1.075 553 L CA 2.436 56.981 54.840 -0.491 0.000 0.752 553 L CB -0.980 40.534 42.059 -0.908 0.000 0.891 553 L HN 0.249 nan 8.230 nan 0.000 0.432 554 A N -0.797 121.965 122.820 -0.096 0.000 1.933 554 A HA -0.063 4.260 4.320 0.005 0.000 0.218 554 A C 2.355 179.967 177.584 0.048 0.000 1.175 554 A CA 1.491 53.508 52.037 -0.033 0.000 0.628 554 A CB -1.510 17.479 19.000 -0.018 0.000 0.814 554 A HN 0.527 nan 8.150 nan 0.000 0.444 555 G N -0.815 108.076 108.800 0.153 0.000 2.418 555 G HA2 -0.265 3.698 3.960 0.005 0.000 0.217 555 G HA3 -0.265 3.698 3.960 0.005 0.000 0.217 555 G C 1.573 176.617 174.900 0.240 0.000 1.158 555 G CA 1.322 46.607 45.100 0.308 0.000 0.771 555 G HN 0.527 nan 8.290 nan 0.000 0.545 556 C N 0.976 120.437 119.300 0.268 0.000 2.429 556 C HA 0.151 4.614 4.460 0.005 0.000 0.277 556 C C 3.537 178.535 174.990 0.014 0.000 1.262 556 C CA 0.759 59.883 59.018 0.177 0.000 1.733 556 C CB -1.013 26.843 27.740 0.193 0.000 2.010 556 C HN 0.573 nan 8.230 nan 0.000 0.483 557 A N 0.922 123.732 122.820 -0.016 0.000 1.940 557 A HA 0.027 4.350 4.320 0.005 0.000 0.219 557 A C 2.401 179.955 177.584 -0.050 0.000 1.176 557 A CA 2.149 54.161 52.037 -0.042 0.000 0.631 557 A CB -1.210 17.757 19.000 -0.055 0.000 0.814 557 A HN 0.561 nan 8.150 nan 0.000 0.446 558 G N -0.669 108.101 108.800 -0.051 0.000 2.418 558 G HA2 -0.091 3.872 3.960 0.005 0.000 0.217 558 G HA3 -0.091 3.872 3.960 0.005 0.000 0.217 558 G C 1.500 176.312 174.900 -0.146 0.000 1.158 558 G CA 1.191 46.243 45.100 -0.080 0.000 0.771 558 G HN 0.320 nan 8.290 nan 0.000 0.545 559 V N 0.820 120.599 119.914 -0.225 0.000 2.343 559 V HA -0.181 3.942 4.120 0.005 0.000 0.247 559 V C 2.684 178.687 176.094 -0.153 0.000 1.051 559 V CA 2.184 64.315 62.300 -0.282 0.000 1.036 559 V CB -0.530 31.019 31.823 -0.456 0.000 0.654 559 V HN 0.476 nan 8.190 nan 0.000 0.451 560 E N -0.160 119.983 120.200 -0.095 0.000 2.058 560 E HA -0.342 4.011 4.350 0.005 0.000 0.194 560 E C 2.270 178.844 176.600 -0.043 0.000 0.997 560 E CA 1.697 58.068 56.400 -0.048 0.000 0.801 560 E CB -0.203 29.481 29.700 -0.027 0.000 0.746 560 E HN 0.525 nan 8.360 nan 0.000 0.450 561 Q N 0.831 120.601 119.800 -0.050 0.000 2.124 561 Q HA -0.143 4.200 4.340 0.005 0.000 0.202 561 Q C 1.898 177.871 176.000 -0.046 0.000 0.977 561 Q CA 1.817 57.597 55.803 -0.039 0.000 0.850 561 Q CB -0.299 28.415 28.738 -0.039 0.000 0.901 561 Q HN 0.264 nan 8.270 nan 0.000 0.429 562 A N 0.136 122.909 122.820 -0.079 0.000 1.898 562 A HA -0.018 4.305 4.320 0.005 0.000 0.216 562 A C 2.289 179.835 177.584 -0.063 0.000 1.181 562 A CA 1.757 53.739 52.037 -0.091 0.000 0.620 562 A CB -1.152 17.753 19.000 -0.159 0.000 0.819 562 A HN 0.521 nan 8.150 nan 0.000 0.442 563 A N -0.037 122.747 122.820 -0.060 0.000 1.877 563 A HA -0.185 4.138 4.320 0.005 0.000 0.216 563 A C 2.143 179.766 177.584 0.065 0.000 1.186 563 A CA 2.042 54.073 52.037 -0.009 0.000 0.620 563 A CB -0.506 18.487 19.000 -0.011 0.000 0.822 563 A HN 0.566 nan 8.150 nan 0.000 0.443 564 K N -0.316 120.105 120.400 0.035 0.000 2.032 564 K HA -0.242 4.081 4.320 0.005 0.000 0.209 564 K C 1.646 178.267 176.600 0.036 0.000 1.048 564 K CA 1.768 58.077 56.287 0.038 0.000 0.927 564 K CB -0.305 32.203 32.500 0.015 0.000 0.712 564 K HN 0.404 nan 8.250 nan 0.000 0.441 565 N N 0.595 119.306 118.700 0.018 0.000 2.184 565 N HA -0.184 4.559 4.740 0.005 0.000 0.190 565 N C 1.254 176.787 175.510 0.038 0.000 1.011 565 N CA 1.498 54.557 53.050 0.016 0.000 0.867 565 N CB -0.291 38.194 38.487 -0.003 0.000 0.993 565 N HN 0.352 nan 8.380 nan 0.000 0.433 566 A N -0.674 122.191 122.820 0.075 0.000 2.307 566 A HA 0.477 4.800 4.320 0.005 0.000 0.218 566 A C 1.366 179.056 177.584 0.178 0.000 1.228 566 A CA 0.560 52.679 52.037 0.137 0.000 0.857 566 A CB -0.257 18.847 19.000 0.173 0.000 0.897 566 A HN 0.289 nan 8.150 nan 0.000 0.495 567 G N -0.608 108.250 108.800 0.096 0.000 2.137 567 G HA2 -0.210 3.753 3.960 0.005 0.000 0.237 567 G HA3 -0.210 3.753 3.960 0.005 0.000 0.237 567 G C -0.064 174.787 174.900 -0.082 0.000 1.002 567 G CA 0.314 45.413 45.100 -0.001 0.000 0.702 567 G HN 0.725 nan 8.290 nan 0.000 0.515 568 H N -0.376 118.702 119.070 0.014 0.000 2.499 568 H HA 0.630 5.189 4.556 0.005 0.000 0.340 568 H C 0.216 175.551 175.328 0.011 0.000 1.148 568 H CA -0.022 56.036 56.048 0.018 0.000 1.215 568 H CB 2.020 31.799 29.762 0.027 0.000 1.529 568 H HN 0.461 nan 8.280 nan 0.000 0.510 569 A N 3.351 126.243 122.820 0.120 0.000 2.341 569 A HA 0.473 4.796 4.320 0.005 0.000 0.326 569 A C -0.458 177.172 177.584 0.076 0.000 1.402 569 A CA -0.496 51.585 52.037 0.073 0.000 0.957 569 A CB -0.176 18.849 19.000 0.042 0.000 1.151 569 A HN 0.355 nan 8.150 nan 0.000 0.533 570 V N 2.603 122.554 119.914 0.061 0.000 2.588 570 V HA 0.588 4.711 4.120 0.005 0.000 0.304 570 V C 0.255 176.369 176.094 0.033 0.000 1.042 570 V CA -0.452 61.876 62.300 0.047 0.000 0.877 570 V CB 2.117 33.960 31.823 0.033 0.000 0.996 570 V HN 0.926 nan 8.190 nan 0.000 0.425 571 T N 1.447 116.022 114.554 0.036 0.000 2.795 571 T HA 0.726 5.079 4.350 0.005 0.000 0.282 571 T C -0.509 174.220 174.700 0.048 0.000 0.980 571 T CA -0.677 61.445 62.100 0.037 0.000 1.012 571 T CB 1.532 70.422 68.868 0.038 0.000 0.936 571 T HN 0.306 nan 8.240 nan 0.000 0.457 572 V N 5.167 125.117 119.914 0.060 0.000 2.407 572 V HA 0.381 4.504 4.120 0.005 0.000 0.278 572 V C -1.978 174.193 176.094 0.128 0.000 1.037 572 V CA -1.877 60.481 62.300 0.096 0.000 0.900 572 V CB 0.799 32.690 31.823 0.112 0.000 0.983 572 V HN 0.825 nan 8.190 nan 0.000 0.459 573 P HA 0.227 nan 4.420 nan 0.000 0.266 573 P C -1.030 176.388 177.300 0.197 0.000 1.195 573 P CA 0.079 63.247 63.100 0.114 0.000 0.768 573 P CB 0.234 31.967 31.700 0.055 0.000 0.838 574 F N 1.580 121.534 119.950 0.006 0.000 2.588 574 F HA 0.609 5.139 4.527 0.004 0.000 0.318 574 F C -1.436 174.350 175.800 -0.024 0.000 1.155 574 F CA -0.885 57.111 58.000 -0.006 0.000 0.967 574 F CB 1.431 40.433 39.000 0.004 0.000 1.236 574 F HN 0.385 nan 8.300 nan 0.000 0.455 575 A N 8.203 130.466 122.820 -0.927 0.000 2.273 575 A HA 0.749 5.072 4.320 0.005 0.000 0.315 575 A C -2.759 174.157 177.584 -1.113 0.000 1.256 575 A CA -1.646 49.932 52.037 -0.765 0.000 0.851 575 A CB 0.270 19.016 19.000 -0.424 0.000 1.172 575 A HN 0.493 nan 8.150 nan 0.000 0.508 576 P HA 0.464 nan 4.420 nan 0.000 0.275 576 P C 0.729 177.909 177.300 -0.200 0.000 1.266 576 P CA 0.900 63.796 63.100 -0.340 0.000 0.793 576 P CB 0.971 32.697 31.700 0.043 0.000 1.074 577 G N -1.036 107.719 108.800 -0.077 0.000 2.227 577 G HA2 -0.136 3.827 3.960 0.005 0.000 0.168 577 G HA3 -0.136 3.827 3.960 0.005 0.000 0.168 577 G C 0.165 175.032 174.900 -0.055 0.000 1.006 577 G CA -0.536 44.521 45.100 -0.072 0.000 0.684 577 G HN 0.522 nan 8.290 nan 0.000 0.489 578 R N 0.559 121.039 120.500 -0.034 0.000 2.641 578 R HA 0.666 5.009 4.340 0.005 0.000 0.269 578 R C 0.473 176.785 176.300 0.021 0.000 1.074 578 R CA 0.651 56.742 56.100 -0.016 0.000 1.133 578 R CB 0.947 31.242 30.300 -0.008 0.000 1.029 578 R HN 0.529 nan 8.270 nan 0.000 0.488 579 A N 1.341 124.170 122.820 0.015 0.000 2.430 579 A HA 0.412 4.735 4.320 0.005 0.000 0.300 579 A C -1.304 176.294 177.584 0.024 0.000 1.124 579 A CA -0.930 51.129 52.037 0.036 0.000 0.766 579 A CB 1.297 20.310 19.000 0.022 0.000 1.328 579 A HN 0.601 nan 8.150 nan 0.000 0.424 580 D N 1.329 121.747 120.400 0.030 0.000 2.274 580 D HA 0.522 5.165 4.640 0.005 0.000 0.239 580 D C 0.234 176.537 176.300 0.005 0.000 1.104 580 D CA 0.349 54.357 54.000 0.014 0.000 0.840 580 D CB 1.655 42.465 40.800 0.016 0.000 1.100 580 D HN 0.710 nan 8.370 nan 0.000 0.477 581 A N 2.035 124.852 122.820 -0.005 0.000 2.322 581 A HA 0.515 4.838 4.320 0.005 0.000 0.269 581 A C 0.670 178.247 177.584 -0.011 0.000 1.094 581 A CA -0.501 51.530 52.037 -0.010 0.000 0.807 581 A CB 0.423 19.415 19.000 -0.015 0.000 1.047 581 A HN 0.529 nan 8.150 nan 0.000 0.487 582 S N 0.311 116.005 115.700 -0.011 0.000 2.693 582 S HA 0.300 4.773 4.470 0.005 0.000 0.276 582 S C 0.846 175.439 174.600 -0.012 0.000 1.192 582 S CA -0.029 58.165 58.200 -0.010 0.000 0.994 582 S CB 1.134 64.330 63.200 -0.006 0.000 1.012 582 S HN 0.727 nan 8.310 nan 0.000 0.550 583 Q N 0.668 120.461 119.800 -0.012 0.000 2.096 583 Q HA -0.146 4.197 4.340 0.005 0.000 0.204 583 Q C 1.589 177.587 176.000 -0.002 0.000 0.982 583 Q CA 2.185 57.981 55.803 -0.012 0.000 0.850 583 Q CB -0.594 28.137 28.738 -0.011 0.000 0.901 583 Q HN 0.876 nan 8.270 nan 0.000 0.422 584 E N -0.230 119.970 120.200 0.000 0.000 2.268 584 E HA -0.134 4.219 4.350 0.005 0.000 0.195 584 E C 1.336 177.939 176.600 0.005 0.000 0.995 584 E CA 0.891 57.295 56.400 0.006 0.000 0.836 584 E CB 0.035 29.739 29.700 0.006 0.000 0.763 584 E HN 0.477 nan 8.360 nan 0.000 0.491 585 Q N -0.289 119.509 119.800 -0.002 0.000 2.365 585 Q HA 0.097 4.440 4.340 0.005 0.000 0.203 585 Q C -0.415 175.584 176.000 -0.002 0.000 0.929 585 Q CA 0.428 56.226 55.803 -0.008 0.000 0.948 585 Q CB 0.676 29.403 28.738 -0.018 0.000 1.043 585 Q HN -0.017 nan 8.270 nan 0.000 0.505 586 T N 0.821 115.379 114.554 0.006 0.000 2.934 586 T HA 0.062 4.415 4.350 0.005 0.000 0.328 586 T C -1.085 173.633 174.700 0.030 0.000 1.068 586 T CA -0.730 61.378 62.100 0.012 0.000 1.018 586 T CB 1.008 69.871 68.868 -0.008 0.000 1.009 586 T HN 0.003 nan 8.240 nan 0.000 0.471 587 D N 3.472 123.905 120.400 0.055 0.000 2.342 587 D HA 0.073 4.715 4.640 0.005 0.000 0.260 587 D C 1.262 177.610 176.300 0.080 0.000 1.278 587 D CA -0.173 53.873 54.000 0.076 0.000 0.910 587 D CB 1.060 41.926 40.800 0.109 0.000 1.079 587 D HN 0.188 nan 8.370 nan 0.000 0.496 588 V N 4.425 124.380 119.914 0.068 0.000 2.407 588 V HA -0.243 3.880 4.120 0.005 0.000 0.248 588 V C 2.090 178.249 176.094 0.109 0.000 1.055 588 V CA 1.743 64.087 62.300 0.074 0.000 1.049 588 V CB -0.371 31.486 31.823 0.057 0.000 0.662 588 V HN 0.551 nan 8.190 nan 0.000 0.455 589 E N -0.098 120.164 120.200 0.104 0.000 2.051 589 E HA -0.196 4.157 4.350 0.005 0.000 0.192 589 E C 2.398 179.072 176.600 0.125 0.000 0.991 589 E CA 1.572 58.038 56.400 0.111 0.000 0.799 589 E CB -0.369 29.390 29.700 0.099 0.000 0.748 589 E HN 0.476 nan 8.360 nan 0.000 0.449 590 S N -0.041 115.737 115.700 0.130 0.000 2.402 590 S HA -0.123 4.350 4.470 0.005 0.000 0.229 590 S C 1.858 176.550 174.600 0.153 0.000 1.021 590 S CA 0.829 59.114 58.200 0.141 0.000 0.974 590 S CB -0.068 63.226 63.200 0.156 0.000 0.800 590 S HN 0.111 nan 8.310 nan 0.000 0.484 591 M N 1.753 121.453 119.600 0.167 0.000 2.374 591 M HA 0.253 4.736 4.480 0.005 0.000 0.264 591 M C 1.838 178.342 176.300 0.341 0.000 1.067 591 M CA 1.038 56.472 55.300 0.222 0.000 1.103 591 M CB -0.902 31.798 32.600 0.167 0.000 1.402 591 M HN 0.340 nan 8.290 nan 0.000 0.444 592 A N -0.513 122.467 122.820 0.268 0.000 1.940 592 A HA -0.124 4.199 4.320 0.005 0.000 0.219 592 A C 2.058 179.695 177.584 0.088 0.000 1.176 592 A CA 1.992 54.174 52.037 0.241 0.000 0.631 592 A CB -1.524 17.574 19.000 0.163 0.000 0.814 592 A HN 0.592 nan 8.150 nan 0.000 0.446 593 V N -2.456 117.501 119.914 0.071 0.000 2.913 593 V HA -0.030 4.093 4.120 0.005 0.000 0.260 593 V C 1.839 177.905 176.094 -0.046 0.000 1.098 593 V CA 1.540 63.836 62.300 -0.008 0.000 1.121 593 V CB -0.815 31.009 31.823 0.001 0.000 0.714 593 V HN 0.455 nan 8.190 nan 0.000 0.487 594 L N 0.452 121.690 121.223 0.025 0.000 2.554 594 L HA 0.217 4.559 4.340 0.005 0.000 0.226 594 L C 1.361 178.052 176.870 -0.299 0.000 1.137 594 L CA 0.323 55.170 54.840 0.012 0.000 0.863 594 L CB -0.272 41.922 42.059 0.225 0.000 0.985 594 L HN 0.487 nan 8.230 nan 0.000 0.451 595 E N 3.414 123.177 120.200 -0.729 0.000 2.417 595 E HA 0.033 4.386 4.350 0.005 0.000 0.261 595 E C -2.067 174.142 176.600 -0.652 0.000 1.000 595 E CA -1.643 53.843 56.400 -1.523 0.000 0.919 595 E CB 0.702 29.485 29.700 -1.528 0.000 0.955 595 E HN -0.028 nan 8.360 nan 0.000 0.455 596 P HA -0.015 nan 4.420 nan 0.000 0.280 596 P C 0.551 177.873 177.300 0.038 0.000 1.300 596 P CA -0.107 62.930 63.100 -0.105 0.000 0.785 596 P CB 1.108 32.825 31.700 0.028 0.000 0.874 597 V N 1.098 121.023 119.914 0.018 0.000 3.354 597 V HA 0.439 4.562 4.120 0.005 0.000 0.258 597 V C 0.746 176.924 176.094 0.140 0.000 1.159 597 V CA 0.705 63.072 62.300 0.112 0.000 1.125 597 V CB -0.673 31.149 31.823 -0.000 0.000 0.774 597 V HN 0.506 nan 8.190 nan 0.000 0.464 598 A N 0.557 123.445 122.820 0.114 0.000 2.381 598 A HA 0.732 5.055 4.320 0.005 0.000 0.299 598 A C -1.499 176.205 177.584 0.199 0.000 1.049 598 A CA -0.155 51.958 52.037 0.127 0.000 0.715 598 A CB 1.612 20.643 19.000 0.052 0.000 1.222 598 A HN 0.296 nan 8.150 nan 0.000 0.428 599 D N 2.110 122.682 120.400 0.287 0.000 2.323 599 D HA 0.390 5.033 4.640 0.005 0.000 0.242 599 D C 1.088 177.533 176.300 0.241 0.000 1.347 599 D CA 0.394 54.591 54.000 0.327 0.000 0.988 599 D CB 0.956 42.021 40.800 0.441 0.000 1.314 599 D HN 0.503 nan 8.370 nan 0.000 0.564 600 G N 1.388 110.214 108.800 0.044 0.000 2.471 600 G HA2 -0.195 3.768 3.960 0.005 0.000 0.219 600 G HA3 -0.195 3.768 3.960 0.005 0.000 0.219 600 G C 1.134 175.928 174.900 -0.176 0.000 1.125 600 G CA 0.293 45.328 45.100 -0.109 0.000 0.775 600 G HN 0.493 nan 8.290 nan 0.000 0.548 601 F N 0.221 120.223 119.950 0.085 0.000 2.502 601 F HA 0.153 4.682 4.527 0.004 0.000 0.298 601 F C 2.512 178.202 175.800 -0.183 0.000 1.111 601 F CA 0.662 58.599 58.000 -0.106 0.000 1.445 601 F CB 0.265 39.185 39.000 -0.133 0.000 1.081 601 F HN 0.006 nan 8.300 nan 0.000 0.558 602 R N -0.282 120.313 120.500 0.158 0.000 2.577 602 R HA 0.111 4.454 4.340 0.005 0.000 0.344 602 R C -0.009 176.374 176.300 0.137 0.000 1.037 602 R CA -0.198 55.970 56.100 0.113 0.000 1.102 602 R CB -0.093 30.334 30.300 0.211 0.000 1.313 602 R HN -0.050 nan 8.270 nan 0.000 0.561 603 N N 1.125 119.885 118.700 0.100 0.000 2.727 603 N HA -0.271 4.471 4.740 0.005 0.000 0.249 603 N C -1.581 174.050 175.510 0.202 0.000 1.048 603 N CA 0.935 54.052 53.050 0.112 0.000 0.714 603 N CB -0.951 37.592 38.487 0.092 0.000 0.959 603 N HN 0.373 nan 8.380 nan 0.000 0.544 604 Y N 0.084 120.435 120.300 0.085 0.000 2.364 604 Y HA 0.677 5.230 4.550 0.006 0.000 0.340 604 Y C -0.752 175.206 175.900 0.097 0.000 0.975 604 Y CA -0.860 57.299 58.100 0.097 0.000 1.089 604 Y CB 1.026 39.558 38.460 0.121 0.000 1.192 604 Y HN 0.109 nan 8.280 nan 0.000 0.454 605 L N 7.317 128.166 121.223 -0.623 0.000 2.438 605 L HA 0.404 4.747 4.340 0.005 0.000 0.270 605 L C 0.662 177.056 176.870 -0.793 0.000 0.972 605 L CA -0.696 53.816 54.840 -0.545 0.000 0.831 605 L CB 2.278 44.197 42.059 -0.233 0.000 1.273 605 L HN 0.695 nan 8.230 nan 0.000 0.405 606 K N 1.779 121.814 120.400 -0.608 0.000 2.103 606 K HA 0.111 4.434 4.320 0.005 0.000 0.204 606 K C 0.689 177.144 176.600 -0.240 0.000 1.052 606 K CA 1.250 57.342 56.287 -0.324 0.000 0.945 606 K CB 0.300 32.825 32.500 0.042 0.000 0.722 606 K HN 0.829 nan 8.250 nan 0.000 0.443 607 G N -0.443 108.093 108.800 -0.441 0.000 2.782 607 G HA2 0.326 4.289 3.960 0.005 0.000 0.304 607 G HA3 0.326 4.289 3.960 0.005 0.000 0.304 607 G C -1.668 172.660 174.900 -0.953 0.000 1.315 607 G CA -0.796 43.971 45.100 -0.554 0.000 0.791 607 G HN -0.024 nan 8.290 nan 0.000 0.519 608 K N 0.153 120.155 120.400 -0.664 0.000 2.248 608 K HA 0.582 4.905 4.320 0.005 0.000 0.281 608 K C -1.359 174.944 176.600 -0.495 0.000 1.054 608 K CA -0.131 55.851 56.287 -0.508 0.000 0.903 608 K CB 0.541 32.900 32.500 -0.234 0.000 1.077 608 K HN 0.451 nan 8.250 nan 0.000 0.474 609 Y N 0.965 121.231 120.300 -0.055 0.000 2.587 609 Y HA 0.366 4.918 4.550 0.004 0.000 0.337 609 Y C 1.407 177.277 175.900 -0.051 0.000 1.065 609 Y CA -1.203 56.863 58.100 -0.057 0.000 1.126 609 Y CB 1.593 40.011 38.460 -0.071 0.000 1.279 609 Y HN 0.411 nan 8.280 nan 0.000 0.489 610 R N 0.127 120.703 120.500 0.126 0.000 2.115 610 R HA 0.019 4.362 4.340 0.005 0.000 0.226 610 R C -0.226 176.087 176.300 0.021 0.000 1.100 610 R CA 0.541 56.667 56.100 0.043 0.000 0.980 610 R CB -0.022 30.288 30.300 0.016 0.000 0.875 610 R HN 0.316 nan 8.270 nan 0.000 0.445 611 V N 3.773 123.696 119.914 0.016 0.000 2.508 611 V HA 0.103 4.226 4.120 0.005 0.000 0.281 611 V C -2.048 174.052 176.094 0.011 0.000 1.041 611 V CA -1.530 60.752 62.300 -0.029 0.000 1.016 611 V CB 0.941 32.704 31.823 -0.101 0.000 0.984 611 V HN 0.094 nan 8.190 nan 0.000 0.478 612 P HA 0.134 nan 4.420 nan 0.000 0.268 612 P C 0.623 177.922 177.300 -0.002 0.000 1.205 612 P CA -0.038 63.065 63.100 0.006 0.000 0.771 612 P CB 0.760 32.458 31.700 -0.002 0.000 0.858 613 A N 3.579 126.405 122.820 0.011 0.000 2.024 613 A HA -0.209 4.114 4.320 0.005 0.000 0.220 613 A C 1.845 179.408 177.584 -0.036 0.000 1.164 613 A CA 1.558 53.598 52.037 0.005 0.000 0.643 613 A CB -0.855 18.154 19.000 0.014 0.000 0.806 613 A HN 0.695 nan 8.150 nan 0.000 0.451 614 E N 0.149 120.315 120.200 -0.056 0.000 2.152 614 E HA -0.083 4.270 4.350 0.005 0.000 0.192 614 E C 1.808 178.339 176.600 -0.114 0.000 0.983 614 E CA 1.421 57.757 56.400 -0.107 0.000 0.818 614 E CB -0.822 28.797 29.700 -0.136 0.000 0.758 614 E HN 0.332 nan 8.360 nan 0.000 0.467 615 V N 2.025 121.887 119.914 -0.086 0.000 2.427 615 V HA -0.219 3.903 4.120 0.005 0.000 0.248 615 V C 2.651 178.691 176.094 -0.090 0.000 1.051 615 V CA 1.387 63.634 62.300 -0.089 0.000 1.048 615 V CB -0.553 31.222 31.823 -0.080 0.000 0.666 615 V HN 0.204 nan 8.190 nan 0.000 0.456 616 L N -0.739 120.438 121.223 -0.077 0.000 2.141 616 L HA -0.161 4.182 4.340 0.005 0.000 0.209 616 L C 2.441 179.278 176.870 -0.055 0.000 1.094 616 L CA 1.026 55.824 54.840 -0.070 0.000 0.763 616 L CB -0.597 41.432 42.059 -0.051 0.000 0.908 616 L HN 0.350 nan 8.230 nan 0.000 0.437 617 L N -0.222 120.952 121.223 -0.080 0.000 1.989 617 L HA -0.179 4.164 4.340 0.005 0.000 0.211 617 L C 2.395 179.224 176.870 -0.069 0.000 1.071 617 L CA 1.772 56.538 54.840 -0.124 0.000 0.749 617 L CB -0.434 41.513 42.059 -0.187 0.000 0.890 617 L HN -0.092 nan 8.230 nan 0.000 0.431 618 V N -0.017 119.848 119.914 -0.082 0.000 2.407 618 V HA -0.302 3.821 4.120 0.005 0.000 0.248 618 V C 2.304 178.382 176.094 -0.027 0.000 1.055 618 V CA 1.920 64.185 62.300 -0.059 0.000 1.049 618 V CB -0.838 30.919 31.823 -0.110 0.000 0.662 618 V HN 0.632 nan 8.190 nan 0.000 0.455 619 D N 0.202 120.577 120.400 -0.042 0.000 2.097 619 D HA -0.250 4.393 4.640 0.005 0.000 0.195 619 D C 2.129 178.436 176.300 0.012 0.000 0.989 619 D CA 1.561 55.538 54.000 -0.039 0.000 0.827 619 D CB -0.094 40.663 40.800 -0.072 0.000 0.966 619 D HN 0.273 nan 8.370 nan 0.000 0.456 620 K N 0.390 120.826 120.400 0.059 0.000 2.057 620 K HA -0.037 4.286 4.320 0.005 0.000 0.207 620 K C 1.866 178.610 176.600 0.240 0.000 1.049 620 K CA 1.565 57.947 56.287 0.157 0.000 0.931 620 K CB -0.728 31.916 32.500 0.241 0.000 0.714 620 K HN 0.159 nan 8.250 nan 0.000 0.440 621 A N 0.735 123.724 122.820 0.282 0.000 1.908 621 A HA -0.226 4.097 4.320 0.005 0.000 0.218 621 A C 2.243 179.906 177.584 0.132 0.000 1.181 621 A CA 1.769 53.983 52.037 0.296 0.000 0.627 621 A CB -0.697 18.467 19.000 0.274 0.000 0.818 621 A HN 0.500 nan 8.150 nan 0.000 0.445 622 Q N -0.159 119.678 119.800 0.061 0.000 2.084 622 Q HA -0.114 4.228 4.340 0.005 0.000 0.202 622 Q C 2.093 178.110 176.000 0.027 0.000 0.978 622 Q CA 1.488 57.296 55.803 0.007 0.000 0.844 622 Q CB -0.284 28.430 28.738 -0.040 0.000 0.898 622 Q HN 0.729 nan 8.270 nan 0.000 0.426 623 L N 0.289 121.534 121.223 0.036 0.000 2.083 623 L HA -0.177 4.166 4.340 0.005 0.000 0.209 623 L C 2.328 179.253 176.870 0.092 0.000 1.083 623 L CA 0.779 55.637 54.840 0.030 0.000 0.752 623 L CB -0.360 41.700 42.059 0.002 0.000 0.899 623 L HN 0.196 nan 8.230 nan 0.000 0.433 624 L N -0.142 121.147 121.223 0.111 0.000 2.610 624 L HA -0.040 4.303 4.340 0.005 0.000 0.232 624 L C 1.169 178.101 176.870 0.103 0.000 1.149 624 L CA 0.735 55.648 54.840 0.122 0.000 0.872 624 L CB -0.756 41.325 42.059 0.036 0.000 0.992 624 L HN 0.568 nan 8.230 nan 0.000 0.447 625 T N -3.033 111.580 114.554 0.098 0.000 4.358 625 T HA -0.231 4.122 4.350 0.005 0.000 0.326 625 T C -0.051 174.676 174.700 0.044 0.000 0.793 625 T CA 0.446 62.589 62.100 0.073 0.000 1.973 625 T CB -2.663 66.266 68.868 0.100 0.000 1.915 625 T HN 0.196 nan 8.240 nan 0.000 0.920 626 L N 1.905 123.158 121.223 0.051 0.000 2.312 626 L HA 0.638 4.981 4.340 0.005 0.000 0.281 626 L C 1.379 178.290 176.870 0.069 0.000 1.070 626 L CA -0.502 54.375 54.840 0.061 0.000 0.805 626 L CB 1.500 43.615 42.059 0.093 0.000 1.174 626 L HN 0.587 nan 8.230 nan 0.000 0.434 627 S N 1.795 117.558 115.700 0.104 0.000 2.617 627 S HA 0.318 4.791 4.470 0.005 0.000 0.259 627 S C 1.139 175.858 174.600 0.199 0.000 1.301 627 S CA -0.076 58.228 58.200 0.174 0.000 0.984 627 S CB 1.409 64.764 63.200 0.259 0.000 0.954 627 S HN 0.695 nan 8.310 nan 0.000 0.572 628 A N 1.075 124.093 122.820 0.330 0.000 1.877 628 A HA 0.093 4.416 4.320 0.005 0.000 0.216 628 A C -0.322 177.437 177.584 0.292 0.000 1.186 628 A CA 1.472 53.677 52.037 0.281 0.000 0.620 628 A CB -2.213 16.984 19.000 0.329 0.000 0.822 628 A HN 0.730 nan 8.150 nan 0.000 0.443 629 P HA -0.155 nan 4.420 nan 0.000 0.215 629 P C 1.133 178.559 177.300 0.211 0.000 1.153 629 P CA 1.580 64.842 63.100 0.270 0.000 0.853 629 P CB -0.090 31.744 31.700 0.225 0.000 0.788 630 E N -0.996 119.304 120.200 0.166 0.000 2.077 630 E HA -0.182 4.171 4.350 0.005 0.000 0.193 630 E C 2.020 178.698 176.600 0.130 0.000 0.989 630 E CA 1.023 57.482 56.400 0.098 0.000 0.800 630 E CB -0.547 29.191 29.700 0.064 0.000 0.746 630 E HN 0.213 nan 8.360 nan 0.000 0.452 631 M N 0.632 120.368 119.600 0.226 0.000 2.086 631 M HA -0.187 4.296 4.480 0.005 0.000 0.261 631 M C 1.976 178.488 176.300 0.353 0.000 1.067 631 M CA 1.660 57.191 55.300 0.385 0.000 1.116 631 M CB -0.146 32.700 32.600 0.410 0.000 1.348 631 M HN 0.010 nan 8.290 nan 0.000 0.407 632 T N 0.560 115.303 114.554 0.314 0.000 2.708 632 T HA -0.124 4.229 4.350 0.005 0.000 0.266 632 T C 1.760 176.531 174.700 0.118 0.000 1.037 632 T CA 1.835 64.078 62.100 0.239 0.000 1.146 632 T CB -0.434 68.664 68.868 0.384 0.000 0.865 632 T HN 0.300 nan 8.240 nan 0.000 0.435 633 V N 1.367 121.285 119.914 0.007 0.000 2.358 633 V HA -0.066 4.057 4.120 0.005 0.000 0.246 633 V C 2.372 178.569 176.094 0.173 0.000 1.047 633 V CA 1.096 63.348 62.300 -0.080 0.000 1.035 633 V CB -0.673 30.926 31.823 -0.373 0.000 0.658 633 V HN 0.296 nan 8.190 nan 0.000 0.452 634 L N -0.114 121.171 121.223 0.104 0.000 1.994 634 L HA -0.152 4.191 4.340 0.005 0.000 0.208 634 L C 2.236 179.191 176.870 0.142 0.000 1.071 634 L CA 1.916 56.821 54.840 0.109 0.000 0.745 634 L CB -0.625 41.396 42.059 -0.063 0.000 0.892 634 L HN 0.264 nan 8.230 nan 0.000 0.431 635 L N -0.851 120.426 121.223 0.089 0.000 2.017 635 L HA -0.101 4.242 4.340 0.005 0.000 0.208 635 L C 2.307 178.843 176.870 -0.557 0.000 1.073 635 L CA 1.796 56.535 54.840 -0.168 0.000 0.745 635 L CB -0.954 40.883 42.059 -0.369 0.000 0.894 635 L HN 0.406 nan 8.230 nan 0.000 0.432 636 G N -1.216 107.206 108.800 -0.630 0.000 2.422 636 G HA2 -0.212 3.751 3.960 0.005 0.000 0.218 636 G HA3 -0.212 3.751 3.960 0.005 0.000 0.218 636 G C 1.431 176.077 174.900 -0.423 0.000 1.146 636 G CA 0.609 45.097 45.100 -1.020 0.000 0.769 636 G HN 0.568 nan 8.290 nan 0.000 0.547 637 G N 0.856 109.650 108.800 -0.010 0.000 2.394 637 G HA2 -0.097 3.866 3.960 0.005 0.000 0.214 637 G HA3 -0.097 3.866 3.960 0.005 0.000 0.214 637 G C 1.803 176.521 174.900 -0.305 0.000 1.176 637 G CA 0.624 45.607 45.100 -0.195 0.000 0.786 637 G HN 0.403 nan 8.290 nan 0.000 0.533 638 L N -0.046 121.098 121.223 -0.131 0.000 2.042 638 L HA -0.100 4.243 4.340 0.005 0.000 0.210 638 L C 3.197 179.925 176.870 -0.236 0.000 1.076 638 L CA 0.830 55.567 54.840 -0.172 0.000 0.749 638 L CB -0.350 41.571 42.059 -0.230 0.000 0.893 638 L HN 0.061 nan 8.230 nan 0.000 0.432 639 R N 0.101 120.405 120.500 -0.327 0.000 2.096 639 R HA -0.160 4.183 4.340 0.005 0.000 0.240 639 R C 2.188 178.353 176.300 -0.225 0.000 1.139 639 R CA 1.929 57.838 56.100 -0.318 0.000 0.952 639 R CB -1.138 28.867 30.300 -0.493 0.000 0.854 639 R HN 0.483 nan 8.270 nan 0.000 0.436 640 V N -1.797 117.980 119.914 -0.228 0.000 3.129 640 V HA 0.036 4.159 4.120 0.005 0.000 0.259 640 V C 2.026 178.030 176.094 -0.150 0.000 1.116 640 V CA 1.022 63.224 62.300 -0.164 0.000 1.127 640 V CB -0.487 31.241 31.823 -0.158 0.000 0.742 640 V HN 0.096 nan 8.190 nan 0.000 0.474 641 L N 1.354 122.466 121.223 -0.185 0.000 2.509 641 L HA 0.428 4.770 4.340 0.005 0.000 0.222 641 L C 1.778 178.584 176.870 -0.107 0.000 1.123 641 L CA 0.832 55.571 54.840 -0.168 0.000 0.856 641 L CB -0.478 41.445 42.059 -0.227 0.000 0.985 641 L HN 0.635 nan 8.230 nan 0.000 0.456 642 G N 0.042 108.785 108.800 -0.094 0.000 2.165 642 G HA2 -0.250 3.713 3.960 0.005 0.000 0.226 642 G HA3 -0.250 3.713 3.960 0.005 0.000 0.226 642 G C 0.689 175.567 174.900 -0.037 0.000 1.035 642 G CA 0.184 45.251 45.100 -0.055 0.000 0.744 642 G HN 0.390 nan 8.290 nan 0.000 0.501 643 A N -0.594 122.190 122.820 -0.059 0.000 2.238 643 A HA 0.339 4.662 4.320 0.005 0.000 0.208 643 A C 1.162 178.739 177.584 -0.012 0.000 1.177 643 A CA 0.481 52.499 52.037 -0.032 0.000 0.804 643 A CB -0.082 18.858 19.000 -0.099 0.000 0.823 643 A HN 0.453 nan 8.150 nan 0.000 0.482 644 N N 0.398 119.086 118.700 -0.019 0.000 2.458 644 N HA 0.184 4.927 4.740 0.005 0.000 0.258 644 N C -0.120 175.420 175.510 0.050 0.000 1.219 644 N CA 0.149 53.210 53.050 0.018 0.000 0.902 644 N CB 0.741 39.231 38.487 0.006 0.000 1.076 644 N HN 0.031 nan 8.380 nan 0.000 0.455 645 V N 1.633 121.599 119.914 0.086 0.000 2.673 645 V HA 0.162 4.285 4.120 0.005 0.000 0.303 645 V C 1.538 177.678 176.094 0.077 0.000 1.046 645 V CA 1.073 63.422 62.300 0.081 0.000 1.126 645 V CB 0.346 32.229 31.823 0.099 0.000 0.934 645 V HN 0.978 nan 8.190 nan 0.000 0.487 646 G N 3.586 112.421 108.800 0.057 0.000 2.155 646 G HA2 -0.285 3.678 3.960 0.005 0.000 0.257 646 G HA3 -0.285 3.678 3.960 0.005 0.000 0.257 646 G C 0.387 175.302 174.900 0.025 0.000 0.983 646 G CA 0.312 45.440 45.100 0.046 0.000 0.676 646 G HN 0.882 nan 8.290 nan 0.000 0.528 647 Q N -1.658 118.155 119.800 0.021 0.000 2.480 647 Q HA -0.217 4.126 4.340 0.005 0.000 0.265 647 Q C 0.872 176.866 176.000 -0.012 0.000 1.072 647 Q CA 1.450 57.258 55.803 0.007 0.000 1.018 647 Q CB -2.124 26.619 28.738 0.009 0.000 1.433 647 Q HN 1.586 nan 8.270 nan 0.000 0.513 648 S N -0.139 115.547 115.700 -0.023 0.000 2.558 648 S HA 0.119 4.592 4.470 0.005 0.000 0.288 648 S C 1.174 175.729 174.600 -0.075 0.000 1.318 648 S CA -0.115 58.028 58.200 -0.095 0.000 1.056 648 S CB 0.668 63.805 63.200 -0.106 0.000 0.853 648 S HN 0.214 nan 8.310 nan 0.000 0.505 649 R N 2.223 122.661 120.500 -0.103 0.000 2.297 649 R HA 0.150 4.493 4.340 0.005 0.000 0.197 649 R C 0.110 176.490 176.300 0.133 0.000 0.943 649 R CA 0.296 56.416 56.100 0.034 0.000 1.038 649 R CB -1.068 29.286 30.300 0.090 0.000 0.957 649 R HN 0.741 nan 8.270 nan 0.000 0.484 650 H N -0.264 118.870 119.070 0.107 0.000 3.107 650 H HA 0.143 4.702 4.556 0.005 0.000 0.301 650 H C 1.226 176.520 175.328 -0.057 0.000 0.981 650 H CA 0.424 56.539 56.048 0.113 0.000 1.443 650 H CB 0.456 30.285 29.762 0.111 0.000 1.479 650 H HN 0.388 nan 8.280 nan 0.000 0.564 651 G N 2.576 111.313 108.800 -0.106 0.000 2.189 651 G HA2 -0.319 3.644 3.960 0.005 0.000 0.267 651 G HA3 -0.319 3.644 3.960 0.005 0.000 0.267 651 G C 0.428 174.755 174.900 -0.956 0.000 0.975 651 G CA 0.328 44.888 45.100 -0.901 0.000 0.644 651 G HN 0.533 nan 8.290 nan 0.000 0.537 652 V N 1.818 121.509 119.914 -0.373 0.000 2.055 652 V HA 0.312 4.435 4.120 0.005 0.000 0.248 652 V C 0.658 176.713 176.094 -0.065 0.000 1.476 652 V CA 0.010 62.204 62.300 -0.176 0.000 1.417 652 V CB -0.821 30.999 31.823 -0.006 0.000 1.465 652 V HN 0.336 nan 8.190 nan 0.000 0.502 653 F N 2.130 121.888 119.950 -0.319 0.000 2.640 653 F HA 0.404 4.934 4.527 0.006 0.000 0.354 653 F C 0.883 176.307 175.800 -0.627 0.000 1.213 653 F CA -0.207 57.194 58.000 -0.998 0.000 1.314 653 F CB 0.417 38.739 39.000 -1.131 0.000 1.679 653 F HN 0.403 nan 8.300 nan 0.000 0.622 654 T N -0.321 114.220 114.554 -0.021 0.000 2.885 654 T HA 0.552 4.905 4.350 0.005 0.000 0.322 654 T C -0.013 174.845 174.700 0.263 0.000 1.387 654 T CA -0.169 61.999 62.100 0.114 0.000 1.041 654 T CB 1.719 70.600 68.868 0.022 0.000 1.287 654 T HN 0.228 nan 8.240 nan 0.000 0.491 655 A N 2.632 125.582 122.820 0.216 0.000 2.348 655 A HA 0.335 4.658 4.320 0.005 0.000 0.224 655 A C 0.901 178.540 177.584 0.092 0.000 1.227 655 A CA -0.214 51.921 52.037 0.163 0.000 0.885 655 A CB -0.023 19.058 19.000 0.136 0.000 0.933 655 A HN 0.671 nan 8.150 nan 0.000 0.506 656 R N 0.734 121.276 120.500 0.070 0.000 2.835 656 R HA 0.358 4.701 4.340 0.005 0.000 0.290 656 R C -0.530 175.779 176.300 0.015 0.000 1.410 656 R CA -0.425 55.697 56.100 0.037 0.000 1.590 656 R CB -0.005 30.312 30.300 0.029 0.000 1.288 656 R HN 0.390 nan 8.270 nan 0.000 0.637 657 E N 1.927 122.139 120.200 0.020 0.000 2.437 657 E HA -0.137 4.216 4.350 0.005 0.000 0.263 657 E C -0.227 176.359 176.600 -0.023 0.000 1.030 657 E CA 0.649 57.046 56.400 -0.005 0.000 0.934 657 E CB 0.443 30.149 29.700 0.009 0.000 0.943 657 E HN 0.480 nan 8.360 nan 0.000 0.444 658 Q N -1.177 118.592 119.800 -0.052 0.000 2.424 658 Q HA -0.251 4.092 4.340 0.005 0.000 0.234 658 Q C -1.116 174.847 176.000 -0.062 0.000 0.748 658 Q CA 0.640 56.405 55.803 -0.062 0.000 1.286 658 Q CB -1.719 26.995 28.738 -0.041 0.000 1.494 658 Q HN 0.502 nan 8.270 nan 0.000 0.683 659 A N 0.742 123.527 122.820 -0.057 0.000 2.342 659 A HA 0.643 4.966 4.320 0.005 0.000 0.323 659 A C -0.474 177.064 177.584 -0.076 0.000 1.125 659 A CA -0.599 51.410 52.037 -0.047 0.000 0.785 659 A CB 1.066 20.060 19.000 -0.010 0.000 1.221 659 A HN 0.172 nan 8.150 nan 0.000 0.463 660 L N 3.789 124.959 121.223 -0.088 0.000 2.462 660 L HA 0.434 4.777 4.340 0.005 0.000 0.283 660 L C 0.620 177.492 176.870 0.004 0.000 1.166 660 L CA 0.914 55.688 54.840 -0.110 0.000 0.964 660 L CB -0.503 41.439 42.059 -0.195 0.000 1.294 660 L HN 0.857 nan 8.230 nan 0.000 0.449 661 T N 0.032 114.579 114.554 -0.012 0.000 2.864 661 T HA 0.403 4.756 4.350 0.005 0.000 0.289 661 T C 0.543 174.943 174.700 -0.500 0.000 1.082 661 T CA -0.547 61.503 62.100 -0.084 0.000 1.009 661 T CB 1.179 70.013 68.868 -0.057 0.000 1.234 661 T HN 0.464 nan 8.240 nan 0.000 0.526 662 N N -0.152 118.191 118.700 -0.596 0.000 2.322 662 N HA 0.052 4.795 4.740 0.005 0.000 0.216 662 N C 0.204 175.587 175.510 -0.210 0.000 1.144 662 N CA -0.144 52.477 53.050 -0.714 0.000 0.830 662 N CB -0.327 37.931 38.487 -0.382 0.000 1.034 662 N HN 0.528 nan 8.380 nan 0.000 0.484 663 D N 0.625 120.914 120.400 -0.185 0.000 2.190 663 D HA -0.178 4.465 4.640 0.005 0.000 0.200 663 D C 1.203 177.426 176.300 -0.130 0.000 0.992 663 D CA 0.713 54.654 54.000 -0.098 0.000 0.854 663 D CB -0.307 40.453 40.800 -0.066 0.000 0.936 663 D HN 0.381 nan 8.370 nan 0.000 0.462 664 F N 0.244 119.966 119.950 -0.379 0.000 2.126 664 F HA -0.201 4.329 4.527 0.005 0.000 0.299 664 F C 1.870 177.417 175.800 -0.422 0.000 1.096 664 F CA 1.362 59.072 58.000 -0.483 0.000 1.255 664 F CB -0.358 38.130 39.000 -0.854 0.000 0.997 664 F HN -0.121 nan 8.300 nan 0.000 0.479 665 F N -0.439 119.495 119.950 -0.027 0.000 2.128 665 F HA -0.121 4.409 4.527 0.005 0.000 0.295 665 F C 2.330 178.068 175.800 -0.103 0.000 1.100 665 F CA 1.257 59.230 58.000 -0.046 0.000 1.260 665 F CB -1.118 37.925 39.000 0.072 0.000 1.009 665 F HN -0.249 nan 8.300 nan 0.000 0.476 666 V N 0.452 120.414 119.914 0.080 0.000 2.343 666 V HA -0.285 3.838 4.120 0.005 0.000 0.247 666 V C 2.074 178.148 176.094 -0.033 0.000 1.051 666 V CA 1.940 64.260 62.300 0.033 0.000 1.036 666 V CB -0.649 31.192 31.823 0.031 0.000 0.654 666 V HN 0.359 nan 8.190 nan 0.000 0.451 667 N N 0.027 118.652 118.700 -0.124 0.000 2.171 667 N HA -0.097 4.646 4.740 0.005 0.000 0.184 667 N C 1.738 177.058 175.510 -0.316 0.000 1.021 667 N CA 1.210 54.137 53.050 -0.205 0.000 0.854 667 N CB -0.397 37.852 38.487 -0.396 0.000 0.994 667 N HN 0.404 nan 8.380 nan 0.000 0.426 668 L N 1.236 122.197 121.223 -0.436 0.000 2.042 668 L HA -0.031 4.312 4.340 0.005 0.000 0.210 668 L C 1.697 178.468 176.870 -0.165 0.000 1.076 668 L CA 1.458 56.033 54.840 -0.441 0.000 0.749 668 L CB -0.438 41.289 42.059 -0.553 0.000 0.893 668 L HN 0.094 nan 8.230 nan 0.000 0.432 669 L N -0.598 120.578 121.223 -0.078 0.000 2.591 669 L HA 0.066 4.409 4.340 0.005 0.000 0.228 669 L C 0.298 177.184 176.870 0.026 0.000 1.133 669 L CA -0.206 54.634 54.840 0.001 0.000 0.880 669 L CB -0.609 41.473 42.059 0.038 0.000 1.033 669 L HN 0.184 nan 8.230 nan 0.000 0.450 670 D N 0.915 121.333 120.400 0.030 0.000 2.363 670 D HA -0.058 4.584 4.640 0.005 0.000 0.263 670 D C 0.948 177.288 176.300 0.067 0.000 1.258 670 D CA 0.082 54.111 54.000 0.049 0.000 0.907 670 D CB 1.162 41.999 40.800 0.062 0.000 1.107 670 D HN -0.075 nan 8.370 nan 0.000 0.495 671 M N 3.568 123.196 119.600 0.047 0.000 2.557 671 M HA 0.111 4.594 4.480 0.005 0.000 0.259 671 M C 1.833 178.149 176.300 0.026 0.000 1.086 671 M CA 0.826 56.153 55.300 0.045 0.000 1.096 671 M CB -0.408 32.209 32.600 0.028 0.000 1.424 671 M HN 0.424 nan 8.290 nan 0.000 0.488 672 G N -0.760 108.049 108.800 0.016 0.000 2.501 672 G HA2 -0.111 3.852 3.960 0.005 0.000 0.220 672 G HA3 -0.111 3.852 3.960 0.005 0.000 0.220 672 G C 0.454 175.327 174.900 -0.044 0.000 1.114 672 G CA 0.939 46.032 45.100 -0.012 0.000 0.757 672 G HN 0.471 nan 8.290 nan 0.000 0.559 673 T N -0.112 114.421 114.554 -0.037 0.000 2.797 673 T HA 0.479 4.832 4.350 0.005 0.000 0.279 673 T C -0.721 173.883 174.700 -0.160 0.000 0.991 673 T CA -0.500 61.507 62.100 -0.155 0.000 0.979 673 T CB 2.525 71.293 68.868 -0.167 0.000 0.943 673 T HN 0.272 nan 8.240 nan 0.000 0.444 674 E N 2.171 122.219 120.200 -0.253 0.000 2.191 674 E HA 0.428 4.781 4.350 0.005 0.000 0.274 674 E C -1.408 175.032 176.600 -0.265 0.000 0.948 674 E CA -0.840 55.480 56.400 -0.133 0.000 0.802 674 E CB 1.079 30.741 29.700 -0.063 0.000 1.137 674 E HN 0.544 nan 8.360 nan 0.000 0.397 675 W N 3.135 124.453 121.300 0.029 0.000 2.632 675 W HA 0.497 5.159 4.660 0.004 0.000 0.328 675 W C -0.349 176.243 176.519 0.123 0.000 1.044 675 W CA -0.652 56.737 57.345 0.075 0.000 1.225 675 W CB 1.638 31.122 29.460 0.039 0.000 1.396 675 W HN 0.299 nan 8.180 nan 0.000 0.499 676 K N 3.305 123.935 120.400 0.383 0.000 2.498 676 K HA 0.409 4.732 4.320 0.005 0.000 0.254 676 K C -2.618 174.157 176.600 0.292 0.000 0.933 676 K CA -1.949 54.515 56.287 0.295 0.000 0.806 676 K CB 2.676 35.258 32.500 0.137 0.000 1.301 676 K HN 0.033 nan 8.250 nan 0.000 0.432 677 P HA -0.034 nan 4.420 nan 0.000 0.271 677 P C -0.357 176.866 177.300 -0.128 0.000 1.216 677 P CA -0.166 62.789 63.100 -0.241 0.000 0.776 677 P CB 0.425 31.971 31.700 -0.257 0.000 0.881 678 T N -1.004 113.447 114.554 -0.172 0.000 2.868 678 T HA 0.364 4.717 4.350 0.005 0.000 0.292 678 T C 1.551 176.205 174.700 -0.078 0.000 1.028 678 T CA -0.077 61.974 62.100 -0.081 0.000 1.059 678 T CB 0.650 69.483 68.868 -0.058 0.000 0.991 678 T HN 0.395 nan 8.240 nan 0.000 0.531 679 A N 1.906 124.701 122.820 -0.043 0.000 1.883 679 A HA 0.131 4.454 4.320 0.005 0.000 0.217 679 A C 2.626 180.186 177.584 -0.040 0.000 1.186 679 A CA 1.831 53.846 52.037 -0.035 0.000 0.624 679 A CB -1.524 17.464 19.000 -0.020 0.000 0.822 679 A HN 1.296 nan 8.150 nan 0.000 0.444 680 A N -2.017 120.782 122.820 -0.035 0.000 2.066 680 A HA 0.135 4.458 4.320 0.005 0.000 0.218 680 A C 0.696 178.253 177.584 -0.045 0.000 1.157 680 A CA 1.453 53.471 52.037 -0.030 0.000 0.670 680 A CB -0.045 18.946 19.000 -0.015 0.000 0.804 680 A HN 0.427 nan 8.150 nan 0.000 0.453 681 D N -2.556 117.800 120.400 -0.073 0.000 2.419 681 D HA 0.449 5.092 4.640 0.005 0.000 0.219 681 D C 0.298 176.488 176.300 -0.183 0.000 1.349 681 D CA 0.308 54.248 54.000 -0.101 0.000 0.964 681 D CB 1.025 41.779 40.800 -0.078 0.000 1.463 681 D HN 0.002 nan 8.370 nan 0.000 0.573 682 A N 2.862 125.574 122.820 -0.180 0.000 2.168 682 A HA -0.041 4.282 4.320 0.005 0.000 0.215 682 A C 1.184 178.525 177.584 -0.404 0.000 1.152 682 A CA 0.862 52.744 52.037 -0.259 0.000 0.716 682 A CB 0.148 19.067 19.000 -0.136 0.000 0.794 682 A HN 0.466 nan 8.150 nan 0.000 0.465 683 D N -0.788 119.442 120.400 -0.284 0.000 2.349 683 D HA 0.172 4.815 4.640 0.005 0.000 0.214 683 D C -0.037 176.122 176.300 -0.236 0.000 1.063 683 D CA 0.364 54.249 54.000 -0.191 0.000 0.847 683 D CB 0.584 41.346 40.800 -0.062 0.000 0.933 683 D HN 0.172 nan 8.370 nan 0.000 0.513 684 V N 1.130 120.807 119.914 -0.394 0.000 2.547 684 V HA 0.389 4.512 4.120 0.005 0.000 0.299 684 V C -0.528 175.282 176.094 -0.473 0.000 1.040 684 V CA -0.653 61.469 62.300 -0.296 0.000 0.913 684 V CB 1.627 33.335 31.823 -0.191 0.000 0.992 684 V HN -0.161 nan 8.190 nan 0.000 0.449 685 F N 1.418 121.404 119.950 0.061 0.000 2.532 685 F HA 0.564 5.094 4.527 0.004 0.000 0.321 685 F C 0.304 176.295 175.800 0.318 0.000 1.089 685 F CA -0.782 57.340 58.000 0.204 0.000 0.926 685 F CB 1.740 40.896 39.000 0.259 0.000 1.168 685 F HN 0.392 nan 8.300 nan 0.000 0.459 686 E N 0.782 121.228 120.200 0.410 0.000 2.166 686 E HA 0.556 4.909 4.350 0.005 0.000 0.275 686 E C -0.339 176.266 176.600 0.008 0.000 0.941 686 E CA -0.774 55.756 56.400 0.216 0.000 0.784 686 E CB 1.994 31.743 29.700 0.082 0.000 1.115 686 E HN 0.807 nan 8.360 nan 0.000 0.399 687 G N 3.098 111.633 108.800 -0.442 0.000 2.415 687 G HA2 0.416 4.378 3.960 0.005 0.000 0.317 687 G HA3 0.416 4.378 3.960 0.005 0.000 0.317 687 G C -0.411 174.064 174.900 -0.707 0.000 1.152 687 G CA -0.479 43.829 45.100 -1.321 0.000 0.956 687 G HN 0.322 nan 8.290 nan 0.000 0.458 688 R N 1.834 122.013 120.500 -0.535 0.000 2.637 688 R HA 0.233 4.576 4.340 0.005 0.000 0.291 688 R C -0.615 175.512 176.300 -0.289 0.000 0.963 688 R CA -0.907 54.994 56.100 -0.331 0.000 0.901 688 R CB 1.937 32.112 30.300 -0.207 0.000 1.160 688 R HN 0.555 nan 8.270 nan 0.000 0.457 689 D N 1.992 122.247 120.400 -0.241 0.000 2.531 689 D HA -0.087 4.556 4.640 0.005 0.000 0.239 689 D C 0.780 177.002 176.300 -0.130 0.000 1.144 689 D CA 0.682 54.576 54.000 -0.176 0.000 0.869 689 D CB 0.810 41.517 40.800 -0.155 0.000 1.160 689 D HN 0.441 nan 8.370 nan 0.000 0.484 690 R N 2.806 123.244 120.500 -0.103 0.000 2.096 690 R HA -0.152 4.191 4.340 0.005 0.000 0.235 690 R C 1.949 178.213 176.300 -0.059 0.000 1.127 690 R CA 1.618 57.675 56.100 -0.072 0.000 0.968 690 R CB -0.008 30.262 30.300 -0.050 0.000 0.861 690 R HN 0.560 nan 8.270 nan 0.000 0.440 691 A N -0.306 122.479 122.820 -0.058 0.000 1.855 691 A HA -0.118 4.205 4.320 0.005 0.000 0.213 691 A C 2.163 179.716 177.584 -0.051 0.000 1.195 691 A CA 1.810 53.818 52.037 -0.048 0.000 0.610 691 A CB -0.592 18.382 19.000 -0.043 0.000 0.837 691 A HN 0.494 nan 8.150 nan 0.000 0.444 692 T N -5.182 109.333 114.554 -0.064 0.000 3.010 692 T HA 0.401 4.754 4.350 0.005 0.000 0.252 692 T C 1.532 176.190 174.700 -0.069 0.000 1.047 692 T CA 1.345 63.407 62.100 -0.064 0.000 1.140 692 T CB 0.098 68.923 68.868 -0.071 0.000 0.885 692 T HN 1.736 nan 8.240 nan 0.000 0.464 693 G N 1.277 110.026 108.800 -0.086 0.000 2.176 693 G HA2 -0.234 3.729 3.960 0.005 0.000 0.232 693 G HA3 -0.234 3.729 3.960 0.005 0.000 0.232 693 G C -0.147 174.689 174.900 -0.105 0.000 0.986 693 G CA 0.183 45.229 45.100 -0.089 0.000 0.643 693 G HN 0.894 nan 8.290 nan 0.000 0.522 694 E N 0.462 120.592 120.200 -0.116 0.000 2.452 694 E HA 0.283 4.636 4.350 0.005 0.000 0.261 694 E C 0.534 177.026 176.600 -0.181 0.000 0.987 694 E CA -0.728 55.592 56.400 -0.134 0.000 0.926 694 E CB 0.274 29.891 29.700 -0.139 0.000 0.934 694 E HN 0.339 nan 8.360 nan 0.000 0.452 695 L N 5.254 126.376 121.223 -0.167 0.000 2.534 695 L HA 0.012 4.354 4.340 0.005 0.000 0.271 695 L C 0.524 177.213 176.870 -0.302 0.000 1.178 695 L CA 1.037 55.758 54.840 -0.199 0.000 0.907 695 L CB 0.541 42.527 42.059 -0.122 0.000 1.164 695 L HN 0.634 nan 8.230 nan 0.000 0.482 696 K N 3.223 123.355 120.400 -0.448 0.000 2.367 696 K HA 0.271 4.594 4.320 0.005 0.000 0.198 696 K C -0.974 175.077 176.600 -0.914 0.000 1.132 696 K CA 0.433 56.234 56.287 -0.809 0.000 0.941 696 K CB 0.390 32.282 32.500 -1.012 0.000 1.052 696 K HN 0.642 nan 8.250 nan 0.000 0.507 697 W N -0.451 120.757 121.300 -0.153 0.000 3.074 697 W HA 0.314 4.976 4.660 0.004 0.000 0.332 697 W C -0.773 175.846 176.519 0.168 0.000 1.253 697 W CA -1.095 56.284 57.345 0.057 0.000 1.180 697 W CB 0.962 30.459 29.460 0.062 0.000 1.445 697 W HN -0.245 nan 8.180 nan 0.000 0.573 698 T N -0.786 114.188 114.554 0.701 0.000 2.916 698 T HA 0.940 5.293 4.350 0.005 0.000 0.292 698 T C -0.459 174.703 174.700 0.771 0.000 1.055 698 T CA -0.643 61.859 62.100 0.669 0.000 1.009 698 T CB 1.975 71.165 68.868 0.538 0.000 1.118 698 T HN 0.970 nan 8.240 nan 0.000 0.497 699 G N 0.483 109.616 108.800 0.555 0.000 2.692 699 G HA2 0.658 4.621 3.960 0.005 0.000 0.291 699 G HA3 0.658 4.621 3.960 0.005 0.000 0.291 699 G C -0.426 174.575 174.900 0.168 0.000 1.423 699 G CA -0.370 44.951 45.100 0.368 0.000 0.843 699 G HN 1.083 nan 8.290 nan 0.000 0.486 700 T N -2.074 112.535 114.554 0.093 0.000 2.893 700 T HA 0.397 4.750 4.350 0.005 0.000 0.279 700 T C 1.396 176.188 174.700 0.153 0.000 0.991 700 T CA -0.620 61.557 62.100 0.129 0.000 0.950 700 T CB 1.662 70.560 68.868 0.051 0.000 1.223 700 T HN 0.443 nan 8.240 nan 0.000 0.585 701 R N -0.444 120.170 120.500 0.190 0.000 2.105 701 R HA -0.040 4.303 4.340 0.005 0.000 0.239 701 R C 2.256 178.535 176.300 -0.034 0.000 1.135 701 R CA 1.056 57.184 56.100 0.047 0.000 0.967 701 R CB -0.935 29.422 30.300 0.096 0.000 0.861 701 R HN 0.446 nan 8.270 nan 0.000 0.442 702 V N 1.527 121.447 119.914 0.010 0.000 2.427 702 V HA -0.205 3.918 4.120 0.005 0.000 0.248 702 V C 1.582 177.757 176.094 0.135 0.000 1.051 702 V CA 1.772 64.084 62.300 0.020 0.000 1.048 702 V CB -0.351 31.472 31.823 -0.001 0.000 0.666 702 V HN 0.273 nan 8.190 nan 0.000 0.456 703 D N 0.138 120.601 120.400 0.105 0.000 2.084 703 D HA -0.076 4.567 4.640 0.005 0.000 0.196 703 D C 2.091 178.493 176.300 0.170 0.000 0.985 703 D CA 1.161 55.277 54.000 0.194 0.000 0.826 703 D CB -0.144 40.708 40.800 0.086 0.000 0.978 703 D HN 0.308 nan 8.370 nan 0.000 0.456 704 L N 0.886 122.042 121.223 -0.112 0.000 2.395 704 L HA -0.022 4.321 4.340 0.005 0.000 0.218 704 L C 2.437 179.166 176.870 -0.235 0.000 1.130 704 L CA 0.147 54.782 54.840 -0.341 0.000 0.826 704 L CB -0.058 41.578 42.059 -0.704 0.000 0.941 704 L HN -0.072 nan 8.230 nan 0.000 0.451 705 V N -0.243 119.570 119.914 -0.169 0.000 2.594 705 V HA -0.271 3.852 4.120 0.005 0.000 0.253 705 V C 2.133 178.081 176.094 -0.243 0.000 1.069 705 V CA 1.690 63.846 62.300 -0.240 0.000 1.082 705 V CB -0.359 31.276 31.823 -0.313 0.000 0.680 705 V HN 0.274 nan 8.190 nan 0.000 0.469 706 F N 0.908 120.851 119.950 -0.011 0.000 2.365 706 F HA 0.104 4.633 4.527 0.005 0.000 0.300 706 F C 2.183 178.005 175.800 0.037 0.000 1.090 706 F CA 1.247 59.295 58.000 0.080 0.000 1.408 706 F CB -0.489 38.648 39.000 0.228 0.000 1.060 706 F HN 0.308 nan 8.300 nan 0.000 0.534 707 G N -2.173 106.656 108.800 0.047 0.000 3.126 707 G HA2 0.054 4.017 3.960 0.005 0.000 0.224 707 G HA3 0.054 4.017 3.960 0.005 0.000 0.224 707 G C 1.348 176.197 174.900 -0.085 0.000 1.142 707 G CA 0.746 45.818 45.100 -0.047 0.000 0.759 707 G HN 0.341 nan 8.290 nan 0.000 0.550 708 S N -1.029 114.618 115.700 -0.088 0.000 3.039 708 S HA 0.120 4.593 4.470 0.005 0.000 0.251 708 S C 0.700 175.252 174.600 -0.081 0.000 1.064 708 S CA -0.344 57.791 58.200 -0.109 0.000 0.822 708 S CB -0.278 62.828 63.200 -0.157 0.000 0.802 708 S HN 0.319 nan 8.310 nan 0.000 0.519 709 H N 2.755 121.733 119.070 -0.154 0.000 2.964 709 H HA 0.183 4.743 4.556 0.005 0.000 0.328 709 H C 1.399 176.666 175.328 -0.101 0.000 1.030 709 H CA 1.071 57.034 56.048 -0.142 0.000 1.445 709 H CB 1.322 30.982 29.762 -0.171 0.000 1.449 709 H HN 0.510 nan 8.280 nan 0.000 0.581 710 S N 2.872 118.359 115.700 -0.356 0.000 2.423 710 S HA -0.174 4.299 4.470 0.005 0.000 0.231 710 S C 1.859 176.451 174.600 -0.012 0.000 1.014 710 S CA 1.001 59.099 58.200 -0.170 0.000 0.965 710 S CB 0.006 63.065 63.200 -0.234 0.000 0.785 710 S HN 0.764 nan 8.310 nan 0.000 0.495 711 Q N 0.819 120.689 119.800 0.116 0.000 2.096 711 Q HA 0.133 4.476 4.340 0.005 0.000 0.197 711 Q C 2.145 178.284 176.000 0.233 0.000 0.964 711 Q CA 0.962 56.898 55.803 0.223 0.000 0.838 711 Q CB -0.195 28.739 28.738 0.326 0.000 0.906 711 Q HN 0.569 nan 8.270 nan 0.000 0.444 712 L N 0.126 121.526 121.223 0.296 0.000 2.093 712 L HA -0.146 4.197 4.340 0.005 0.000 0.208 712 L C 2.701 179.717 176.870 0.243 0.000 1.085 712 L CA 1.135 56.081 54.840 0.177 0.000 0.755 712 L CB -0.422 41.583 42.059 -0.091 0.000 0.904 712 L HN 0.227 nan 8.230 nan 0.000 0.435 713 R N 0.458 121.064 120.500 0.178 0.000 2.115 713 R HA -0.140 4.203 4.340 0.005 0.000 0.230 713 R C 2.335 178.714 176.300 0.132 0.000 1.111 713 R CA 1.219 57.411 56.100 0.155 0.000 0.976 713 R CB -0.150 30.194 30.300 0.073 0.000 0.870 713 R HN 0.317 nan 8.270 nan 0.000 0.445 714 A N 1.093 123.975 122.820 0.104 0.000 1.902 714 A HA -0.132 4.191 4.320 0.005 0.000 0.217 714 A C 2.136 179.764 177.584 0.074 0.000 1.181 714 A CA 1.205 53.283 52.037 0.068 0.000 0.623 714 A CB -0.465 18.566 19.000 0.050 0.000 0.818 714 A HN 0.336 nan 8.150 nan 0.000 0.443 715 L N -0.979 120.325 121.223 0.135 0.000 2.056 715 L HA -0.145 4.198 4.340 0.005 0.000 0.207 715 L C 3.094 180.069 176.870 0.174 0.000 1.078 715 L CA 0.997 55.931 54.840 0.155 0.000 0.749 715 L CB -0.664 41.553 42.059 0.264 0.000 0.901 715 L HN 0.420 nan 8.230 nan 0.000 0.433 716 A N 0.086 123.068 122.820 0.271 0.000 1.940 716 A HA -0.232 4.091 4.320 0.005 0.000 0.219 716 A C 2.154 179.826 177.584 0.147 0.000 1.176 716 A CA 1.712 53.935 52.037 0.310 0.000 0.631 716 A CB -0.448 18.860 19.000 0.513 0.000 0.814 716 A HN 0.452 nan 8.150 nan 0.000 0.446 717 E N -0.454 119.804 120.200 0.096 0.000 2.110 717 E HA -0.130 4.223 4.350 0.005 0.000 0.193 717 E C 1.963 178.538 176.600 -0.042 0.000 0.988 717 E CA 1.231 57.653 56.400 0.036 0.000 0.804 717 E CB -0.273 29.441 29.700 0.023 0.000 0.745 717 E HN 0.411 nan 8.360 nan 0.000 0.458 718 V N 0.371 120.207 119.914 -0.129 0.000 2.287 718 V HA -0.285 3.838 4.120 0.005 0.000 0.248 718 V C 1.762 177.646 176.094 -0.350 0.000 1.053 718 V CA 1.885 64.013 62.300 -0.287 0.000 1.027 718 V CB -0.565 30.983 31.823 -0.459 0.000 0.646 718 V HN 0.344 nan 8.190 nan 0.000 0.447 719 Y N 0.341 120.516 120.300 -0.208 0.000 2.516 719 Y HA 0.134 4.687 4.550 0.006 0.000 0.291 719 Y C 2.282 178.075 175.900 -0.177 0.000 1.131 719 Y CA 0.702 58.618 58.100 -0.307 0.000 1.281 719 Y CB -0.184 37.759 38.460 -0.862 0.000 1.013 719 Y HN 0.321 nan 8.280 nan 0.000 0.554 720 G N -0.993 107.835 108.800 0.048 0.000 3.284 720 G HA2 0.074 4.037 3.960 0.005 0.000 0.236 720 G HA3 0.074 4.037 3.960 0.005 0.000 0.236 720 G C 0.192 175.127 174.900 0.059 0.000 1.158 720 G CA -0.163 45.012 45.100 0.124 0.000 0.774 720 G HN 0.055 nan 8.290 nan 0.000 0.545 721 S N -0.324 115.389 115.700 0.021 0.000 2.632 721 S HA 0.484 4.956 4.470 0.005 0.000 0.267 721 S C 1.628 176.244 174.600 0.027 0.000 1.276 721 S CA 0.021 58.229 58.200 0.012 0.000 0.998 721 S CB 1.678 64.868 63.200 -0.017 0.000 0.953 721 S HN 0.318 nan 8.310 nan 0.000 0.547 722 A N 1.337 124.172 122.820 0.024 0.000 2.015 722 A HA -0.092 4.231 4.320 0.005 0.000 0.219 722 A C 1.466 179.073 177.584 0.038 0.000 1.163 722 A CA 1.457 53.513 52.037 0.032 0.000 0.646 722 A CB -0.481 18.534 19.000 0.025 0.000 0.806 722 A HN 0.843 nan 8.150 nan 0.000 0.448 723 D N -0.901 119.517 120.400 0.030 0.000 2.328 723 D HA 0.332 4.975 4.640 0.005 0.000 0.221 723 D C 0.892 177.221 176.300 0.049 0.000 1.072 723 D CA 0.743 54.764 54.000 0.034 0.000 0.850 723 D CB -0.038 40.773 40.800 0.017 0.000 0.922 723 D HN 0.274 nan 8.370 nan 0.000 0.516 724 A N -0.154 122.704 122.820 0.063 0.000 2.390 724 A HA 0.125 4.448 4.320 0.005 0.000 0.232 724 A C 1.893 179.584 177.584 0.178 0.000 1.233 724 A CA 0.014 52.107 52.037 0.092 0.000 0.907 724 A CB -0.012 19.019 19.000 0.053 0.000 0.967 724 A HN 0.129 nan 8.150 nan 0.000 0.512 725 Q N 0.542 120.441 119.800 0.164 0.000 2.050 725 Q HA -0.173 4.170 4.340 0.005 0.000 0.202 725 Q C 1.738 177.878 176.000 0.235 0.000 0.980 725 Q CA 2.074 58.002 55.803 0.209 0.000 0.840 725 Q CB -0.076 28.788 28.738 0.210 0.000 0.898 725 Q HN 0.538 nan 8.270 nan 0.000 0.424 726 E N 0.081 120.409 120.200 0.213 0.000 2.107 726 E HA -0.150 4.203 4.350 0.005 0.000 0.191 726 E C 1.745 178.431 176.600 0.142 0.000 0.982 726 E CA 0.869 57.378 56.400 0.181 0.000 0.809 726 E CB -0.094 29.712 29.700 0.177 0.000 0.756 726 E HN 0.400 nan 8.360 nan 0.000 0.459 727 K N 0.212 120.708 120.400 0.160 0.000 2.057 727 K HA -0.170 4.153 4.320 0.005 0.000 0.207 727 K C 2.147 178.895 176.600 0.247 0.000 1.049 727 K CA 1.184 57.572 56.287 0.168 0.000 0.931 727 K CB -0.320 32.262 32.500 0.136 0.000 0.714 727 K HN 0.042 nan 8.250 nan 0.000 0.440 728 F N 1.110 121.176 119.950 0.194 0.000 2.102 728 F HA -0.198 4.332 4.527 0.004 0.000 0.298 728 F C 1.717 177.559 175.800 0.069 0.000 1.105 728 F CA 1.381 59.477 58.000 0.161 0.000 1.239 728 F CB -0.427 38.653 39.000 0.133 0.000 0.991 728 F HN -0.183 nan 8.300 nan 0.000 0.474 729 V N 1.374 121.216 119.914 -0.120 0.000 2.295 729 V HA -0.268 3.854 4.120 0.005 0.000 0.246 729 V C 2.661 178.656 176.094 -0.165 0.000 1.049 729 V CA 2.056 64.196 62.300 -0.267 0.000 1.024 729 V CB -0.654 31.036 31.823 -0.222 0.000 0.648 729 V HN 0.285 nan 8.190 nan 0.000 0.447 730 R N 0.076 120.541 120.500 -0.059 0.000 2.075 730 R HA -0.110 4.233 4.340 0.005 0.000 0.232 730 R C 1.958 178.239 176.300 -0.031 0.000 1.126 730 R CA 1.454 57.544 56.100 -0.017 0.000 0.963 730 R CB -0.981 29.334 30.300 0.025 0.000 0.858 730 R HN 0.505 nan 8.270 nan 0.000 0.435 731 D N 0.243 120.623 120.400 -0.033 0.000 2.144 731 D HA -0.145 4.498 4.640 0.005 0.000 0.199 731 D C 1.627 177.846 176.300 -0.135 0.000 0.984 731 D CA 0.786 54.762 54.000 -0.040 0.000 0.834 731 D CB -0.334 40.497 40.800 0.052 0.000 0.955 731 D HN 0.118 nan 8.370 nan 0.000 0.465 732 F N 1.067 120.773 119.950 -0.407 0.000 2.113 732 F HA -0.187 4.342 4.527 0.004 0.000 0.297 732 F C 2.151 177.851 175.800 -0.166 0.000 1.103 732 F CA 0.987 58.745 58.000 -0.403 0.000 1.248 732 F CB -0.214 38.352 39.000 -0.722 0.000 0.999 732 F HN -0.212 nan 8.300 nan 0.000 0.475 733 V N 0.702 120.598 119.914 -0.030 0.000 2.343 733 V HA -0.324 3.799 4.120 0.005 0.000 0.247 733 V C 2.754 178.827 176.094 -0.035 0.000 1.051 733 V CA 1.766 64.066 62.300 -0.000 0.000 1.036 733 V CB -1.581 30.265 31.823 0.038 0.000 0.654 733 V HN 0.505 nan 8.190 nan 0.000 0.451 734 A N -0.487 122.297 122.820 -0.060 0.000 1.908 734 A HA -0.200 4.123 4.320 0.005 0.000 0.218 734 A C 2.476 179.999 177.584 -0.101 0.000 1.181 734 A CA 2.258 54.260 52.037 -0.057 0.000 0.627 734 A CB -0.742 18.234 19.000 -0.040 0.000 0.818 734 A HN 0.392 nan 8.150 nan 0.000 0.445 735 V N -0.816 118.997 119.914 -0.168 0.000 2.488 735 V HA -0.139 3.984 4.120 0.005 0.000 0.246 735 V C 1.996 177.956 176.094 -0.222 0.000 1.046 735 V CA 1.666 63.852 62.300 -0.191 0.000 1.053 735 V CB -0.461 31.243 31.823 -0.199 0.000 0.679 735 V HN 0.784 nan 8.190 nan 0.000 0.458 736 W N 1.390 122.372 121.300 -0.530 0.000 2.317 736 W HA -0.321 4.341 4.660 0.003 0.000 0.318 736 W C 2.228 178.619 176.519 -0.214 0.000 1.227 736 W CA 2.413 59.499 57.345 -0.432 0.000 1.269 736 W CB -0.643 28.489 29.460 -0.547 0.000 1.155 736 W HN 0.531 nan 8.180 nan 0.000 0.484 737 N N 0.909 119.563 118.700 -0.077 0.000 2.166 737 N HA -0.254 4.489 4.740 0.005 0.000 0.186 737 N C 1.939 177.313 175.510 -0.226 0.000 1.019 737 N CA 2.397 55.371 53.050 -0.126 0.000 0.856 737 N CB -0.677 37.802 38.487 -0.014 0.000 0.993 737 N HN 0.164 nan 8.380 nan 0.000 0.426 738 K N -0.024 120.252 120.400 -0.207 0.000 2.009 738 K HA -0.109 4.214 4.320 0.005 0.000 0.210 738 K C 1.668 178.082 176.600 -0.310 0.000 1.049 738 K CA 1.564 57.715 56.287 -0.227 0.000 0.929 738 K CB -0.240 32.157 32.500 -0.172 0.000 0.714 738 K HN 0.067 nan 8.250 nan 0.000 0.440 739 V N 1.545 121.256 119.914 -0.339 0.000 2.407 739 V HA -0.258 3.865 4.120 0.005 0.000 0.248 739 V C 2.443 178.251 176.094 -0.476 0.000 1.055 739 V CA 1.483 63.545 62.300 -0.397 0.000 1.049 739 V CB -0.374 31.233 31.823 -0.360 0.000 0.662 739 V HN 0.427 nan 8.190 nan 0.000 0.455 740 M N 0.131 119.414 119.600 -0.527 0.000 2.358 740 M HA -0.061 4.421 4.480 0.005 0.000 0.264 740 M C 1.200 177.282 176.300 -0.362 0.000 1.064 740 M CA 1.297 56.324 55.300 -0.456 0.000 1.093 740 M CB -1.091 31.258 32.600 -0.418 0.000 1.401 740 M HN 0.387 nan 8.290 nan 0.000 0.440 741 N N -0.086 118.388 118.700 -0.377 0.000 2.204 741 N HA 0.216 4.959 4.740 0.005 0.000 0.219 741 N C 1.457 176.657 175.510 -0.517 0.000 1.151 741 N CA 0.047 52.867 53.050 -0.382 0.000 0.867 741 N CB 0.310 38.605 38.487 -0.319 0.000 1.043 741 N HN 0.321 nan 8.380 nan 0.000 0.516 742 L N 0.665 121.506 121.223 -0.637 0.000 2.079 742 L HA -0.174 4.169 4.340 0.005 0.000 0.210 742 L C 1.180 177.269 176.870 -1.302 0.000 1.081 742 L CA 1.348 55.575 54.840 -1.022 0.000 0.752 742 L CB -0.122 41.130 42.059 -1.345 0.000 0.896 742 L HN 0.130 nan 8.230 nan 0.000 0.433 743 D N -1.655 118.233 120.400 -0.854 0.000 2.388 743 D HA -0.051 4.592 4.640 0.005 0.000 0.221 743 D C 0.717 176.739 176.300 -0.464 0.000 1.133 743 D CA -0.109 53.613 54.000 -0.463 0.000 0.831 743 D CB -0.023 40.820 40.800 0.071 0.000 0.962 743 D HN -0.001 nan 8.370 nan 0.000 0.502 744 R N 0.841 120.972 120.500 -0.614 0.000 4.496 744 R HA 0.188 4.531 4.340 0.005 0.000 0.211 744 R C 0.095 176.176 176.300 -0.366 0.000 1.738 744 R CA -0.345 55.526 56.100 -0.381 0.000 1.528 744 R CB -1.193 28.914 30.300 -0.322 0.000 1.414 744 R HN 0.248 nan 8.270 nan 0.000 0.812 745 F N 0.794 120.703 119.950 -0.068 0.000 2.502 745 F HA -0.127 4.402 4.527 0.004 0.000 0.298 745 F C 2.018 177.790 175.800 -0.047 0.000 1.111 745 F CA 0.753 58.728 58.000 -0.041 0.000 1.445 745 F CB 0.104 39.101 39.000 -0.006 0.000 1.081 745 F HN 0.260 nan 8.300 nan 0.000 0.558 746 D N 0.766 121.207 120.400 0.068 0.000 2.351 746 D HA -0.164 4.479 4.640 0.005 0.000 0.216 746 D C 1.231 177.515 176.300 -0.027 0.000 0.968 746 D CA 1.083 55.089 54.000 0.009 0.000 0.899 746 D CB -0.394 40.392 40.800 -0.024 0.000 0.907 746 D HN 0.356 nan 8.370 nan 0.000 0.514 747 L N -0.477 120.713 121.223 -0.055 0.000 2.959 747 L HA 0.462 4.804 4.340 0.005 0.000 0.259 747 L C 0.985 177.822 176.870 -0.056 0.000 1.185 747 L CA -0.505 54.291 54.840 -0.073 0.000 0.998 747 L CB 0.489 42.475 42.059 -0.121 0.000 1.337 747 L HN -0.047 nan 8.230 nan 0.000 0.555 748 A N 0.000 122.812 122.820 -0.014 0.000 2.254 748 A HA 0.000 4.323 4.320 0.005 0.000 0.244 748 A CA 0.000 52.045 52.037 0.013 0.000 0.836 748 A CB 0.000 19.056 19.000 0.094 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486