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_A 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 0.000 175.485 175.510 -0.041 0.000 1.280 35 N CA 0.000 53.025 53.050 -0.042 0.000 0.885 35 N CB 0.000 38.465 38.487 -0.036 0.000 1.341 36 G N 0.438 109.204 108.800 -0.057 0.000 3.239 36 G HA2 0.365 4.325 3.960 0.000 0.000 0.666 36 G HA3 0.365 4.325 3.960 0.000 0.000 0.666 36 G C -0.457 174.383 174.900 -0.099 0.000 1.313 36 G CA -0.067 45.002 45.100 -0.051 0.000 1.001 36 G HN 0.865 nan 8.290 nan 0.000 0.573 37 T N 1.831 116.301 114.554 -0.139 0.000 2.907 37 T HA 0.664 5.014 4.350 0.000 0.000 0.298 37 T C 1.002 175.571 174.700 -0.219 0.000 1.017 37 T CA 0.494 62.401 62.100 -0.321 0.000 1.118 37 T CB 1.374 69.908 68.868 -0.558 0.000 0.948 37 T HN 1.698 nan 8.240 nan 0.000 0.531 38 S N 1.873 117.397 115.700 -0.293 0.000 2.709 38 S HA 0.419 4.890 4.470 0.000 0.000 0.302 38 S C 0.922 175.499 174.600 -0.038 0.000 1.127 38 S CA -0.994 57.157 58.200 -0.081 0.000 0.905 38 S CB 1.209 64.380 63.200 -0.048 0.000 1.151 38 S HN 0.465 nan 8.310 nan 0.000 0.510 39 N N 0.906 119.723 118.700 0.194 0.000 2.166 39 N HA -0.079 4.661 4.740 0.000 0.000 0.186 39 N C 1.639 177.312 175.510 0.271 0.000 1.019 39 N CA 1.146 54.441 53.050 0.408 0.000 0.856 39 N CB -0.650 38.115 38.487 0.463 0.000 0.993 39 N HN 0.652 nan 8.380 nan 0.000 0.426 40 R N 0.912 121.487 120.500 0.125 0.000 2.105 40 R HA -0.094 4.246 4.340 0.000 0.000 0.239 40 R C 1.210 177.487 176.300 -0.039 0.000 1.135 40 R CA 1.455 57.595 56.100 0.066 0.000 0.967 40 R CB 0.011 30.330 30.300 0.031 0.000 0.861 40 R HN 0.230 nan 8.270 nan 0.000 0.442 41 D N -0.985 119.302 120.400 -0.188 0.000 2.097 41 D HA -0.200 4.440 4.640 0.000 0.000 0.195 41 D C 1.733 177.801 176.300 -0.387 0.000 0.989 41 D CA 1.315 55.106 54.000 -0.348 0.000 0.827 41 D CB -0.425 40.031 40.800 -0.574 0.000 0.966 41 D HN 0.379 nan 8.370 nan 0.000 0.456 42 W N -0.271 120.763 121.300 -0.443 0.000 2.388 42 W HA -0.067 4.593 4.660 -0.000 0.000 0.294 42 W C 0.751 176.684 176.519 -0.976 0.000 1.212 42 W CA -0.001 56.779 57.345 -0.941 0.000 1.271 42 W CB 0.099 28.453 29.460 -1.842 0.000 1.126 42 W HN -0.036 nan 8.180 nan 0.000 0.535 43 W N 0.933 122.358 121.300 0.208 0.000 2.036 43 W HA 0.231 4.891 4.660 0.000 0.000 0.294 43 W C -1.989 174.570 176.519 0.066 0.000 0.948 43 W CA -1.805 55.610 57.345 0.115 0.000 1.774 43 W CB -0.264 29.250 29.460 0.090 0.000 1.950 43 W HN -0.172 nan 8.180 nan 0.000 0.384 44 P HA -0.090 nan 4.420 nan 0.000 0.229 44 P C 0.688 178.045 177.300 0.096 0.000 1.160 44 P CA 1.221 64.375 63.100 0.090 0.000 0.777 44 P CB 0.486 32.206 31.700 0.033 0.000 0.814 45 N N -0.524 118.247 118.700 0.119 0.000 2.230 45 N HA 0.040 4.780 4.740 0.000 0.000 0.202 45 N C 0.774 176.338 175.510 0.090 0.000 1.119 45 N CA 0.027 53.128 53.050 0.085 0.000 0.851 45 N CB 0.235 38.764 38.487 0.069 0.000 0.990 45 N HN 0.239 nan 8.380 nan 0.000 0.497 46 Q N 0.866 120.744 119.800 0.131 0.000 2.417 46 Q HA 0.176 4.516 4.340 0.000 0.000 0.241 46 Q C -0.387 175.682 176.000 0.116 0.000 1.008 46 Q CA -0.426 55.446 55.803 0.115 0.000 0.901 46 Q CB 0.556 29.362 28.738 0.113 0.000 1.259 46 Q HN 0.019 nan 8.270 nan 0.000 0.489 47 L N 2.731 124.041 121.223 0.145 0.000 2.490 47 L HA 0.056 4.397 4.340 0.000 0.000 0.274 47 L C -0.587 176.346 176.870 0.106 0.000 1.201 47 L CA 0.961 55.846 54.840 0.076 0.000 0.869 47 L CB 0.419 42.460 42.059 -0.029 0.000 1.123 47 L HN 0.673 nan 8.230 nan 0.000 0.484 48 D N 3.841 124.255 120.400 0.024 0.000 2.467 48 D HA 0.173 4.813 4.640 0.000 0.000 0.220 48 D C 0.868 177.145 176.300 -0.038 0.000 1.103 48 D CA -0.093 53.922 54.000 0.025 0.000 0.886 48 D CB 0.416 41.229 40.800 0.020 0.000 1.025 48 D HN 0.506 nan 8.370 nan 0.000 0.514 49 L N 2.049 123.249 121.223 -0.038 0.000 2.478 49 L HA -0.017 4.323 4.340 0.000 0.000 0.223 49 L C 2.097 178.882 176.870 -0.142 0.000 1.140 49 L CA 0.113 54.886 54.840 -0.111 0.000 0.842 49 L CB -0.100 41.922 42.059 -0.061 0.000 0.953 49 L HN 0.298 nan 8.230 nan 0.000 0.452 50 S N 0.839 116.521 115.700 -0.031 0.000 2.419 50 S HA -0.151 4.319 4.470 0.000 0.000 0.235 50 S C 1.923 176.468 174.600 -0.092 0.000 1.019 50 S CA 1.295 59.493 58.200 -0.002 0.000 0.982 50 S CB -0.257 62.965 63.200 0.037 0.000 0.789 50 S HN 0.579 nan 8.310 nan 0.000 0.490 51 I N -1.220 119.278 120.570 -0.120 0.000 2.756 51 I HA -0.043 4.127 4.170 0.000 0.000 0.262 51 I C 1.335 177.334 176.117 -0.195 0.000 1.225 51 I CA 1.331 62.549 61.300 -0.136 0.000 1.472 51 I CB -0.327 37.611 38.000 -0.103 0.000 1.094 51 I HN 0.180 nan 8.210 nan 0.000 0.454 52 L N 0.135 121.166 121.223 -0.319 0.000 2.567 52 L HA 0.099 4.439 4.340 0.000 0.000 0.225 52 L C 0.992 177.645 176.870 -0.362 0.000 1.119 52 L CA 0.496 55.111 54.840 -0.375 0.000 0.871 52 L CB -0.516 41.255 42.059 -0.480 0.000 1.036 52 L HN 0.372 nan 8.230 nan 0.000 0.459 53 H N -1.187 117.861 119.070 -0.036 0.000 2.512 53 H HA 0.241 4.798 4.556 0.001 0.000 0.276 53 H C 0.158 175.452 175.328 -0.057 0.000 1.126 53 H CA -0.756 55.278 56.048 -0.024 0.000 1.060 53 H CB 0.445 30.210 29.762 0.005 0.000 1.646 53 H HN -0.003 nan 8.280 nan 0.000 0.571 54 R N 0.246 120.688 120.500 -0.097 0.000 2.707 54 R HA 0.089 4.429 4.340 0.000 0.000 0.270 54 R C 0.203 176.418 176.300 -0.140 0.000 1.083 54 R CA -0.025 55.937 56.100 -0.231 0.000 1.182 54 R CB -0.151 29.782 30.300 -0.612 0.000 1.084 54 R HN 0.713 nan 8.270 nan 0.000 0.528 55 H N -2.434 116.686 119.070 0.083 0.000 2.936 55 H HA -0.159 4.397 4.556 0.000 0.000 0.276 55 H C 0.067 175.462 175.328 0.112 0.000 1.216 55 H CA 0.336 56.451 56.048 0.112 0.000 1.132 55 H CB -1.457 28.371 29.762 0.110 0.000 1.303 55 H HN 0.726 nan 8.280 nan 0.000 0.370 56 S N 0.365 116.175 115.700 0.184 0.000 2.584 56 S HA 0.160 4.631 4.470 0.000 0.000 0.270 56 S C 1.780 176.447 174.600 0.113 0.000 1.346 56 S CA -0.104 58.173 58.200 0.128 0.000 1.018 56 S CB 1.732 64.983 63.200 0.085 0.000 0.899 56 S HN 0.487 nan 8.310 nan 0.000 0.542 57 S N 2.289 118.040 115.700 0.085 0.000 2.440 57 S HA -0.110 4.360 4.470 0.000 0.000 0.238 57 S C 1.761 176.378 174.600 0.028 0.000 1.010 57 S CA 1.015 59.252 58.200 0.061 0.000 0.972 57 S CB -0.993 62.238 63.200 0.050 0.000 0.774 57 S HN 0.692 nan 8.310 nan 0.000 0.501 58 L N 2.021 123.262 121.223 0.030 0.000 2.042 58 L HA -0.100 4.240 4.340 0.000 0.000 0.210 58 L C 2.943 179.810 176.870 -0.005 0.000 1.076 58 L CA 1.673 56.519 54.840 0.010 0.000 0.749 58 L CB -0.845 41.224 42.059 0.016 0.000 0.893 58 L HN 0.609 nan 8.230 nan 0.000 0.432 59 S N -2.511 113.202 115.700 0.021 0.000 2.593 59 S HA -0.019 4.451 4.470 0.000 0.000 0.217 59 S C 0.562 175.129 174.600 -0.056 0.000 0.966 59 S CA -0.306 57.904 58.200 0.018 0.000 0.914 59 S CB -0.196 63.053 63.200 0.082 0.000 0.776 59 S HN 0.265 nan 8.310 nan 0.000 0.523 60 D N 2.791 123.125 120.400 -0.111 0.000 2.274 60 D HA 0.322 4.963 4.640 0.000 0.000 0.239 60 D C -1.545 174.489 176.300 -0.444 0.000 1.104 60 D CA -2.225 51.572 54.000 -0.339 0.000 0.840 60 D CB 1.935 42.686 40.800 -0.081 0.000 1.100 60 D HN 0.042 nan 8.370 nan 0.000 0.477 61 P HA 0.004 nan 4.420 nan 0.000 0.231 61 P C 0.447 177.501 177.300 -0.410 0.000 1.168 61 P CA 0.252 63.025 63.100 -0.545 0.000 0.779 61 P CB 0.228 31.513 31.700 -0.693 0.000 0.844 62 M N 0.332 119.672 119.600 -0.433 0.000 2.242 62 M HA 0.324 4.805 4.480 0.000 0.000 0.344 62 M C 1.293 177.538 176.300 -0.092 0.000 1.140 62 M CA -0.876 54.249 55.300 -0.292 0.000 1.160 62 M CB -0.395 31.983 32.600 -0.370 0.000 1.491 62 M HN -0.181 nan 8.290 nan 0.000 0.459 63 G N 1.257 110.049 108.800 -0.014 0.000 2.771 63 G HA2 -0.027 3.933 3.960 0.000 0.000 0.242 63 G HA3 -0.027 3.933 3.960 0.000 0.000 0.242 63 G C 0.754 175.720 174.900 0.110 0.000 1.233 63 G CA -0.302 44.829 45.100 0.053 0.000 0.858 63 G HN 0.904 nan 8.290 nan 0.000 0.591 64 K N -0.798 119.653 120.400 0.085 0.000 2.211 64 K HA -0.064 4.256 4.320 0.000 0.000 0.203 64 K C 1.015 177.686 176.600 0.119 0.000 1.050 64 K CA 1.268 57.611 56.287 0.094 0.000 0.945 64 K CB 0.144 32.682 32.500 0.063 0.000 0.732 64 K HN 0.433 nan 8.250 nan 0.000 0.451 65 D N -0.201 120.274 120.400 0.124 0.000 2.328 65 D HA -0.046 4.594 4.640 0.000 0.000 0.221 65 D C -0.180 176.216 176.300 0.161 0.000 1.072 65 D CA -0.028 54.041 54.000 0.115 0.000 0.850 65 D CB -0.061 40.790 40.800 0.084 0.000 0.922 65 D HN 0.055 nan 8.370 nan 0.000 0.516 66 F N 2.512 122.507 119.950 0.075 0.000 2.578 66 F HA 0.078 4.606 4.527 0.001 0.000 0.381 66 F C 0.491 176.368 175.800 0.128 0.000 1.069 66 F CA -0.222 57.841 58.000 0.105 0.000 1.231 66 F CB 0.319 39.393 39.000 0.123 0.000 1.086 66 F HN -0.252 nan 8.300 nan 0.000 0.564 67 N N 6.155 124.488 118.700 -0.611 0.000 2.518 67 N HA 0.002 4.743 4.740 0.000 0.000 0.254 67 N C 0.379 175.402 175.510 -0.812 0.000 0.979 67 N CA -0.376 52.367 53.050 -0.512 0.000 0.930 67 N CB 0.528 38.889 38.487 -0.210 0.000 1.152 67 N HN 0.799 nan 8.380 nan 0.000 0.505 68 Y N 4.657 124.494 120.300 -0.773 0.000 2.181 68 Y HA -0.141 4.409 4.550 0.000 0.000 0.288 68 Y C 2.044 177.868 175.900 -0.127 0.000 1.146 68 Y CA 2.308 60.157 58.100 -0.418 0.000 1.164 68 Y CB -0.280 38.168 38.460 -0.020 0.000 0.982 68 Y HN 0.663 nan 8.280 nan 0.000 0.515 69 A N 0.307 122.971 122.820 -0.260 0.000 1.908 69 A HA -0.321 3.999 4.320 0.000 0.000 0.218 69 A C 2.317 179.803 177.584 -0.164 0.000 1.181 69 A CA 2.056 53.954 52.037 -0.231 0.000 0.627 69 A CB -1.103 17.841 19.000 -0.094 0.000 0.818 69 A HN 0.687 nan 8.150 nan 0.000 0.445 70 Q N -0.546 119.161 119.800 -0.155 0.000 2.061 70 Q HA -0.182 4.158 4.340 0.000 0.000 0.204 70 Q C 2.179 178.133 176.000 -0.077 0.000 0.984 70 Q CA 1.948 57.691 55.803 -0.099 0.000 0.846 70 Q CB -0.367 28.312 28.738 -0.098 0.000 0.902 70 Q HN 0.611 nan 8.270 nan 0.000 0.421 71 A N 0.193 122.952 122.820 -0.100 0.000 1.873 71 A HA -0.173 4.147 4.320 0.000 0.000 0.215 71 A C 1.863 179.436 177.584 -0.019 0.000 1.186 71 A CA 1.241 53.292 52.037 0.023 0.000 0.616 71 A CB -1.035 18.109 19.000 0.241 0.000 0.823 71 A HN 0.614 nan 8.150 nan 0.000 0.442 72 F N 0.943 120.688 119.950 -0.342 0.000 2.161 72 F HA -0.158 4.369 4.527 0.000 0.000 0.300 72 F C 2.107 177.816 175.800 -0.152 0.000 1.089 72 F CA 2.137 59.951 58.000 -0.310 0.000 1.282 72 F CB -0.172 38.479 39.000 -0.581 0.000 1.010 72 F HN 0.354 nan 8.300 nan 0.000 0.485 73 E N -0.378 119.799 120.200 -0.038 0.000 2.268 73 E HA -0.153 4.197 4.350 0.000 0.000 0.195 73 E C 1.639 178.161 176.600 -0.129 0.000 0.995 73 E CA 0.627 56.997 56.400 -0.049 0.000 0.836 73 E CB 0.023 29.727 29.700 0.007 0.000 0.763 73 E HN 0.218 nan 8.360 nan 0.000 0.491 74 K N 0.404 120.731 120.400 -0.122 0.000 2.404 74 K HA 0.077 4.398 4.320 0.000 0.000 0.194 74 K C 0.316 176.839 176.600 -0.129 0.000 1.023 74 K CA -0.202 56.027 56.287 -0.097 0.000 1.094 74 K CB 0.033 32.508 32.500 -0.040 0.000 0.841 74 K HN 0.086 nan 8.250 nan 0.000 0.523 75 L N 2.614 123.692 121.223 -0.242 0.000 2.490 75 L HA -0.005 4.335 4.340 0.000 0.000 0.274 75 L C 0.153 176.876 176.870 -0.245 0.000 1.201 75 L CA 0.400 55.084 54.840 -0.260 0.000 0.869 75 L CB 0.373 42.123 42.059 -0.514 0.000 1.123 75 L HN -0.038 nan 8.230 nan 0.000 0.484 76 D N 4.245 124.565 120.400 -0.134 0.000 2.455 76 D HA -0.019 4.621 4.640 0.000 0.000 0.234 76 D C 0.998 177.179 176.300 -0.199 0.000 1.224 76 D CA -0.020 53.911 54.000 -0.115 0.000 0.999 76 D CB 0.346 41.142 40.800 -0.007 0.000 1.072 76 D HN 0.650 nan 8.370 nan 0.000 0.514 77 L N 4.235 125.319 121.223 -0.231 0.000 2.046 77 L HA -0.086 4.254 4.340 0.000 0.000 0.208 77 L C 2.140 178.903 176.870 -0.178 0.000 1.077 77 L CA 2.015 56.715 54.840 -0.234 0.000 0.747 77 L CB -0.469 41.494 42.059 -0.161 0.000 0.896 77 L HN 0.366 nan 8.230 nan 0.000 0.432 78 A N -0.411 122.336 122.820 -0.121 0.000 1.908 78 A HA -0.189 4.132 4.320 0.000 0.000 0.218 78 A C 2.454 179.986 177.584 -0.088 0.000 1.181 78 A CA 1.982 53.964 52.037 -0.092 0.000 0.627 78 A CB -1.196 17.764 19.000 -0.066 0.000 0.818 78 A HN 0.581 nan 8.150 nan 0.000 0.445 79 A N -0.625 122.150 122.820 -0.075 0.000 1.930 79 A HA 0.034 4.355 4.320 0.000 0.000 0.217 79 A C 2.207 179.755 177.584 -0.060 0.000 1.175 79 A CA 1.690 53.719 52.037 -0.013 0.000 0.627 79 A CB -0.886 18.165 19.000 0.084 0.000 0.815 79 A HN 0.422 nan 8.150 nan 0.000 0.443 80 V N 0.301 120.026 119.914 -0.314 0.000 2.332 80 V HA -0.299 3.821 4.120 0.000 0.000 0.248 80 V C 2.399 178.368 176.094 -0.208 0.000 1.055 80 V CA 2.399 64.412 62.300 -0.477 0.000 1.038 80 V CB -0.736 30.684 31.823 -0.670 0.000 0.651 80 V HN 0.552 nan 8.190 nan 0.000 0.450 81 K N -0.259 120.040 120.400 -0.168 0.000 2.097 81 K HA -0.112 4.208 4.320 0.000 0.000 0.205 81 K C 2.396 178.979 176.600 -0.029 0.000 1.050 81 K CA 1.129 57.353 56.287 -0.105 0.000 0.938 81 K CB -0.229 32.207 32.500 -0.107 0.000 0.718 81 K HN 0.386 nan 8.250 nan 0.000 0.442 82 R N 0.867 121.353 120.500 -0.023 0.000 2.096 82 R HA -0.119 4.221 4.340 0.000 0.000 0.235 82 R C 1.661 178.006 176.300 0.075 0.000 1.127 82 R CA 1.410 57.524 56.100 0.023 0.000 0.968 82 R CB -0.138 30.166 30.300 0.006 0.000 0.861 82 R HN 0.209 nan 8.270 nan 0.000 0.440 83 D N 0.678 121.112 120.400 0.057 0.000 2.117 83 D HA -0.110 4.530 4.640 0.000 0.000 0.198 83 D C 1.989 178.319 176.300 0.051 0.000 0.982 83 D CA 0.968 55.011 54.000 0.072 0.000 0.828 83 D CB -0.120 40.752 40.800 0.120 0.000 0.967 83 D HN 0.154 nan 8.370 nan 0.000 0.464 84 L N -0.009 121.221 121.223 0.012 0.000 2.083 84 L HA -0.206 4.134 4.340 0.000 0.000 0.209 84 L C 2.436 179.329 176.870 0.039 0.000 1.083 84 L CA 1.117 55.945 54.840 -0.021 0.000 0.752 84 L CB -0.441 41.564 42.059 -0.091 0.000 0.899 84 L HN 0.136 nan 8.230 nan 0.000 0.433 85 H N -0.071 118.992 119.070 -0.012 0.000 2.321 85 H HA -0.160 4.396 4.556 0.000 0.000 0.300 85 H C 2.162 177.499 175.328 0.016 0.000 1.087 85 H CA 1.684 57.737 56.048 0.010 0.000 1.319 85 H CB 0.069 29.835 29.762 0.006 0.000 1.379 85 H HN 0.290 nan 8.280 nan 0.000 0.501 86 A N 0.649 123.518 122.820 0.082 0.000 1.883 86 A HA -0.163 4.157 4.320 0.000 0.000 0.217 86 A C 2.393 179.981 177.584 0.006 0.000 1.186 86 A CA 1.663 53.719 52.037 0.032 0.000 0.624 86 A CB -1.075 17.968 19.000 0.071 0.000 0.822 86 A HN 0.498 nan 8.150 nan 0.000 0.444 87 L N -0.592 120.663 121.223 0.052 0.000 2.081 87 L HA -0.215 4.126 4.340 0.000 0.000 0.212 87 L C 2.327 179.306 176.870 0.182 0.000 1.080 87 L CA 2.120 57.036 54.840 0.126 0.000 0.754 87 L CB -0.519 41.622 42.059 0.137 0.000 0.893 87 L HN 0.356 nan 8.230 nan 0.000 0.433 88 M N -0.645 118.993 119.600 0.063 0.000 2.144 88 M HA -0.140 4.340 4.480 0.000 0.000 0.260 88 M C 1.631 177.762 176.300 -0.282 0.000 1.067 88 M CA 2.057 57.331 55.300 -0.043 0.000 1.095 88 M CB -1.847 30.553 32.600 -0.333 0.000 1.365 88 M HN 0.606 nan 8.290 nan 0.000 0.406 89 T N -3.486 110.910 114.554 -0.262 0.000 3.248 89 T HA 0.204 4.554 4.350 0.000 0.000 0.271 89 T C 0.218 174.853 174.700 -0.108 0.000 1.005 89 T CA -0.316 61.642 62.100 -0.237 0.000 0.902 89 T CB -0.393 68.348 68.868 -0.211 0.000 1.102 89 T HN 0.071 nan 8.240 nan 0.000 0.548 90 T N 2.233 116.778 114.554 -0.015 0.000 3.149 90 T HA 0.437 4.787 4.350 0.000 0.000 0.373 90 T C -0.002 174.754 174.700 0.095 0.000 1.364 90 T CA -0.385 61.738 62.100 0.039 0.000 1.110 90 T CB 0.879 69.794 68.868 0.078 0.000 1.127 90 T HN 0.334 nan 8.240 nan 0.000 0.576 91 S N 3.420 119.107 115.700 -0.022 0.000 2.549 91 S HA 0.191 4.661 4.470 0.000 0.000 0.279 91 S C 0.032 174.644 174.600 0.021 0.000 1.321 91 S CA -0.527 57.641 58.200 -0.054 0.000 1.054 91 S CB 0.318 63.432 63.200 -0.144 0.000 0.899 91 S HN 0.448 nan 8.310 nan 0.000 0.497 92 Q N 2.883 122.685 119.800 0.004 0.000 2.245 92 Q HA 0.265 4.606 4.340 0.000 0.000 0.256 92 Q C 0.079 175.918 176.000 -0.267 0.000 0.942 92 Q CA -0.669 55.001 55.803 -0.222 0.000 0.896 92 Q CB 1.441 29.799 28.738 -0.632 0.000 1.272 92 Q HN 0.669 nan 8.270 nan 0.000 0.442 93 D N 1.261 121.583 120.400 -0.130 0.000 2.269 93 D HA -0.103 4.537 4.640 0.000 0.000 0.208 93 D C 1.626 177.957 176.300 0.051 0.000 0.963 93 D CA 0.725 54.710 54.000 -0.024 0.000 0.864 93 D CB 0.123 40.956 40.800 0.053 0.000 0.936 93 D HN 0.685 nan 8.370 nan 0.000 0.505 94 W N -1.275 120.122 121.300 0.160 0.000 2.595 94 W HA 0.014 4.675 4.660 0.001 0.000 0.257 94 W C 0.344 177.076 176.519 0.357 0.000 1.267 94 W CA -0.119 57.346 57.345 0.200 0.000 1.300 94 W CB -0.465 29.099 29.460 0.174 0.000 1.120 94 W HN -0.039 nan 8.180 nan 0.000 0.618 95 W N 3.101 124.238 121.300 -0.271 0.000 1.982 95 W HA 0.246 4.907 4.660 0.000 0.000 0.299 95 W C -2.877 173.597 176.519 -0.075 0.000 1.011 95 W CA -1.917 55.344 57.345 -0.139 0.000 1.324 95 W CB 0.604 29.983 29.460 -0.135 0.000 1.372 95 W HN -0.370 nan 8.180 nan 0.000 0.323 96 P HA 0.005 nan 4.420 nan 0.000 0.265 96 P C -0.032 177.228 177.300 -0.067 0.000 1.193 96 P CA 0.723 63.766 63.100 -0.096 0.000 0.765 96 P CB 0.783 32.439 31.700 -0.074 0.000 0.823 97 A N 3.383 126.038 122.820 -0.275 0.000 2.451 97 A HA 0.127 4.447 4.320 0.000 0.000 0.266 97 A C 0.078 177.434 177.584 -0.380 0.000 1.119 97 A CA -0.313 51.385 52.037 -0.564 0.000 0.786 97 A CB -0.408 17.859 19.000 -1.222 0.000 1.061 97 A HN 0.446 nan 8.150 nan 0.000 0.503 98 D N 1.958 122.190 120.400 -0.279 0.000 2.531 98 D HA 0.107 4.747 4.640 0.000 0.000 0.239 98 D C 0.409 176.450 176.300 -0.431 0.000 1.144 98 D CA 0.964 54.603 54.000 -0.602 0.000 0.869 98 D CB -0.335 40.345 40.800 -0.200 0.000 1.160 98 D HN 0.512 nan 8.370 nan 0.000 0.484 99 F N 0.412 120.020 119.950 -0.571 0.000 3.048 99 F HA -0.259 4.269 4.527 0.000 0.000 0.287 99 F C 1.596 177.261 175.800 -0.225 0.000 0.796 99 F CA 0.525 58.334 58.000 -0.319 0.000 1.111 99 F CB -1.970 36.936 39.000 -0.156 0.000 1.320 99 F HN 0.636 nan 8.300 nan 0.000 0.430 100 G N -0.693 107.989 108.800 -0.198 0.000 2.153 100 G HA2 -0.324 3.636 3.960 0.000 0.000 0.252 100 G HA3 -0.324 3.636 3.960 0.000 0.000 0.252 100 G C -0.147 174.680 174.900 -0.121 0.000 0.994 100 G CA 0.475 45.482 45.100 -0.156 0.000 0.698 100 G HN 0.959 nan 8.290 nan 0.000 0.521 101 H N -1.537 117.425 119.070 -0.180 0.000 3.018 101 H HA 0.400 4.956 4.556 0.000 0.000 0.334 101 H C 0.056 175.332 175.328 -0.087 0.000 0.983 101 H CA -0.916 55.070 56.048 -0.104 0.000 1.363 101 H CB 0.766 30.540 29.762 0.019 0.000 1.668 101 H HN 0.041 nan 8.280 nan 0.000 0.513 102 Y N 2.887 123.277 120.300 0.150 0.000 2.553 102 Y HA 0.033 4.583 4.550 0.000 0.000 0.303 102 Y C 2.210 178.201 175.900 0.152 0.000 1.194 102 Y CA 0.843 58.959 58.100 0.027 0.000 1.305 102 Y CB -0.072 38.249 38.460 -0.231 0.000 1.045 102 Y HN 0.798 nan 8.280 nan 0.000 0.514 103 G N 0.181 109.387 108.800 0.677 0.000 2.459 103 G HA2 -0.286 3.675 3.960 0.000 0.000 0.217 103 G HA3 -0.286 3.675 3.960 0.000 0.000 0.217 103 G C 2.098 177.122 174.900 0.208 0.000 1.183 103 G CA 0.988 46.338 45.100 0.416 0.000 0.776 103 G HN 0.497 nan 8.290 nan 0.000 0.552 104 G N 0.799 109.713 108.800 0.191 0.000 2.476 104 G HA2 -0.207 3.753 3.960 0.000 0.000 0.218 104 G HA3 -0.207 3.753 3.960 0.000 0.000 0.218 104 G C 1.787 176.830 174.900 0.239 0.000 1.164 104 G CA 1.179 46.418 45.100 0.231 0.000 0.768 104 G HN 0.438 nan 8.290 nan 0.000 0.560 105 L N -0.442 120.901 121.223 0.201 0.000 2.012 105 L HA 0.034 4.375 4.340 0.000 0.000 0.210 105 L C 2.519 179.453 176.870 0.107 0.000 1.073 105 L CA 1.696 56.601 54.840 0.108 0.000 0.748 105 L CB -0.583 41.475 42.059 -0.002 0.000 0.891 105 L HN 0.170 nan 8.230 nan 0.000 0.431 106 F N -0.507 119.558 119.950 0.191 0.000 2.234 106 F HA -0.098 4.429 4.527 0.000 0.000 0.299 106 F C 2.358 178.263 175.800 0.176 0.000 1.087 106 F CA 0.997 59.089 58.000 0.153 0.000 1.340 106 F CB -0.719 38.366 39.000 0.141 0.000 1.031 106 F HN 0.055 nan 8.300 nan 0.000 0.500 107 I N -0.288 120.479 120.570 0.328 0.000 2.179 107 I HA -0.303 3.867 4.170 0.000 0.000 0.242 107 I C 2.731 179.117 176.117 0.447 0.000 1.088 107 I CA 1.333 62.808 61.300 0.291 0.000 1.357 107 I CB -0.447 37.575 38.000 0.037 0.000 1.051 107 I HN 0.038 nan 8.210 nan 0.000 0.409 108 R N 1.230 121.946 120.500 0.360 0.000 2.081 108 R HA -0.230 4.111 4.340 0.000 0.000 0.235 108 R C 2.406 178.806 176.300 0.167 0.000 1.131 108 R CA 1.682 57.991 56.100 0.347 0.000 0.960 108 R CB -0.310 30.115 30.300 0.207 0.000 0.856 108 R HN 0.304 nan 8.270 nan 0.000 0.436 109 M N 0.275 119.971 119.600 0.159 0.000 2.073 109 M HA -0.199 4.281 4.480 0.000 0.000 0.258 109 M C 2.141 178.544 176.300 0.172 0.000 1.070 109 M CA 2.358 57.731 55.300 0.122 0.000 1.103 109 M CB -0.222 32.516 32.600 0.230 0.000 1.321 109 M HN 0.346 nan 8.290 nan 0.000 0.405 110 A N 0.266 123.267 122.820 0.302 0.000 1.930 110 A HA -0.218 4.102 4.320 0.000 0.000 0.217 110 A C 2.045 179.782 177.584 0.255 0.000 1.175 110 A CA 1.346 53.549 52.037 0.278 0.000 0.627 110 A CB -1.506 17.753 19.000 0.431 0.000 0.815 110 A HN 0.933 nan 8.150 nan 0.000 0.443 111 W N 0.393 121.868 121.300 0.292 0.000 2.358 111 W HA -0.222 4.439 4.660 0.001 0.000 0.303 111 W C 1.801 178.452 176.519 0.220 0.000 1.208 111 W CA 1.818 59.317 57.345 0.256 0.000 1.274 111 W CB -0.704 29.037 29.460 0.468 0.000 1.138 111 W HN 0.587 nan 8.180 nan 0.000 0.515 112 H N -0.154 118.615 119.070 -0.502 0.000 2.389 112 H HA -0.162 4.395 4.556 0.000 0.000 0.299 112 H C 2.685 177.739 175.328 -0.457 0.000 1.081 112 H CA 1.413 57.055 56.048 -0.676 0.000 1.345 112 H CB -0.191 29.331 29.762 -0.399 0.000 1.393 112 H HN 0.134 nan 8.280 nan 0.000 0.520 113 S N 0.466 116.082 115.700 -0.139 0.000 2.359 113 S HA -0.194 4.276 4.470 0.000 0.000 0.224 113 S C 2.345 176.826 174.600 -0.198 0.000 1.035 113 S CA 1.194 59.298 58.200 -0.160 0.000 1.018 113 S CB -0.200 62.947 63.200 -0.088 0.000 0.876 113 S HN 0.500 nan 8.310 nan 0.000 0.448 114 A N 0.164 122.869 122.820 -0.192 0.000 2.067 114 A HA 0.321 4.641 4.320 0.000 0.000 0.217 114 A C 2.163 179.639 177.584 -0.180 0.000 1.156 114 A CA 1.175 53.103 52.037 -0.181 0.000 0.683 114 A CB -1.079 17.809 19.000 -0.186 0.000 0.808 114 A HN 0.615 nan 8.150 nan 0.000 0.455 115 G N -0.249 108.294 108.800 -0.429 0.000 2.679 115 G HA2 -0.029 3.932 3.960 0.000 0.000 0.212 115 G HA3 -0.029 3.932 3.960 0.000 0.000 0.212 115 G C 1.352 175.906 174.900 -0.576 0.000 1.137 115 G CA 1.479 46.145 45.100 -0.724 0.000 0.787 115 G HN 0.632 nan 8.290 nan 0.000 0.534 116 T N -2.943 111.424 114.554 -0.311 0.000 3.148 116 T HA 0.102 4.452 4.350 0.000 0.000 0.253 116 T C 0.808 175.586 174.700 0.130 0.000 1.134 116 T CA -0.515 61.525 62.100 -0.101 0.000 1.051 116 T CB -0.275 68.503 68.868 -0.151 0.000 0.959 116 T HN 0.168 nan 8.240 nan 0.000 0.525 117 Y N 3.216 123.504 120.300 -0.019 0.000 2.526 117 Y HA 0.429 4.979 4.550 0.000 0.000 0.330 117 Y C 0.020 175.955 175.900 0.059 0.000 1.156 117 Y CA -1.074 57.035 58.100 0.016 0.000 1.419 117 Y CB 0.381 38.827 38.460 -0.023 0.000 1.250 117 Y HN 0.040 nan 8.280 nan 0.000 0.540 118 R N 3.258 123.379 120.500 -0.632 0.000 2.494 118 R HA 0.260 4.600 4.340 0.000 0.000 0.305 118 R C 0.856 176.654 176.300 -0.837 0.000 0.959 118 R CA -0.508 55.286 56.100 -0.509 0.000 0.864 118 R CB 1.476 31.634 30.300 -0.237 0.000 1.159 118 R HN 0.724 nan 8.270 nan 0.000 0.446 119 T N 1.123 115.385 114.554 -0.487 0.000 2.995 119 T HA -0.064 4.286 4.350 0.000 0.000 0.269 119 T C 1.763 176.356 174.700 -0.179 0.000 1.091 119 T CA 1.664 63.596 62.100 -0.280 0.000 1.128 119 T CB -0.007 68.856 68.868 -0.007 0.000 0.891 119 T HN 0.669 nan 8.240 nan 0.000 0.492 120 A N 1.998 124.719 122.820 -0.165 0.000 1.883 120 A HA -0.126 4.194 4.320 0.000 0.000 0.217 120 A C 1.894 179.399 177.584 -0.131 0.000 1.186 120 A CA 2.258 54.224 52.037 -0.117 0.000 0.624 120 A CB -0.367 18.574 19.000 -0.100 0.000 0.822 120 A HN 0.727 nan 8.150 nan 0.000 0.444 121 D N -4.400 115.898 120.400 -0.170 0.000 2.500 121 D HA 0.298 4.938 4.640 0.000 0.000 0.217 121 D C 1.099 177.303 176.300 -0.160 0.000 1.159 121 D CA 0.975 54.884 54.000 -0.152 0.000 0.828 121 D CB -0.466 40.247 40.800 -0.145 0.000 1.039 121 D HN 0.908 nan 8.370 nan 0.000 0.512 122 G N 0.862 109.518 108.800 -0.239 0.000 2.184 122 G HA2 -0.346 3.614 3.960 0.000 0.000 0.264 122 G HA3 -0.346 3.614 3.960 0.000 0.000 0.264 122 G C 0.376 175.220 174.900 -0.093 0.000 0.975 122 G CA 0.219 45.223 45.100 -0.161 0.000 0.642 122 G HN 0.458 nan 8.290 nan 0.000 0.536 123 R N 0.278 120.677 120.500 -0.167 0.000 2.637 123 R HA 0.523 4.863 4.340 0.000 0.000 0.269 123 R C 1.218 177.487 176.300 -0.052 0.000 1.089 123 R CA 0.513 56.545 56.100 -0.114 0.000 1.177 123 R CB 0.325 30.501 30.300 -0.208 0.000 1.091 123 R HN 1.460 nan 8.270 nan 0.000 0.540 124 G N -0.483 108.347 108.800 0.050 0.000 2.796 124 G HA2 0.150 4.110 3.960 0.000 0.000 0.226 124 G HA3 0.150 4.110 3.960 0.000 0.000 0.226 124 G C 0.093 175.111 174.900 0.195 0.000 1.381 124 G CA -0.389 44.832 45.100 0.202 0.000 0.867 124 G HN 1.160 nan 8.290 nan 0.000 0.552 125 G N -2.750 106.134 108.800 0.140 0.000 2.655 125 G HA2 0.457 4.418 3.960 0.000 0.000 0.680 125 G HA3 0.457 4.418 3.960 0.000 0.000 0.680 125 G C 0.890 175.753 174.900 -0.062 0.000 1.302 125 G CA 0.997 46.125 45.100 0.047 0.000 0.872 125 G HN 2.474 nan 8.290 nan 0.000 0.540 126 A N -0.456 122.282 122.820 -0.135 0.000 2.178 126 A HA 0.507 4.827 4.320 0.000 0.000 0.211 126 A C 2.513 180.011 177.584 -0.143 0.000 1.157 126 A CA 1.802 53.747 52.037 -0.153 0.000 0.780 126 A CB -0.394 18.486 19.000 -0.200 0.000 0.828 126 A HN 2.288 nan 8.150 nan 0.000 0.476 127 G N -0.379 108.340 108.800 -0.135 0.000 2.598 127 G HA2 -0.034 3.926 3.960 0.000 0.000 0.215 127 G HA3 -0.034 3.926 3.960 0.000 0.000 0.215 127 G C 0.969 175.803 174.900 -0.109 0.000 1.131 127 G CA 0.820 45.838 45.100 -0.136 0.000 0.785 127 G HN 0.638 nan 8.290 nan 0.000 0.539 128 E N -1.037 119.109 120.200 -0.089 0.000 2.630 128 E HA 0.295 4.645 4.350 0.000 0.000 0.218 128 E C 1.376 177.917 176.600 -0.099 0.000 0.977 128 E CA 0.059 56.404 56.400 -0.092 0.000 1.038 128 E CB 0.717 30.382 29.700 -0.058 0.000 1.051 128 E HN 0.229 nan 8.360 nan 0.000 0.487 129 G N 2.247 110.983 108.800 -0.107 0.000 2.283 129 G HA2 -0.342 3.618 3.960 0.000 0.000 0.280 129 G HA3 -0.342 3.618 3.960 0.000 0.000 0.280 129 G C 0.906 175.695 174.900 -0.184 0.000 1.029 129 G CA 0.333 45.351 45.100 -0.137 0.000 0.840 129 G HN 0.212 nan 8.290 nan 0.000 0.505 130 Q N -0.803 118.939 119.800 -0.096 0.000 2.437 130 Q HA -0.068 4.272 4.340 0.000 0.000 0.210 130 Q C 2.346 178.243 176.000 -0.172 0.000 0.972 130 Q CA 1.321 57.111 55.803 -0.021 0.000 0.903 130 Q CB -0.016 28.751 28.738 0.049 0.000 0.967 130 Q HN 0.900 nan 8.270 nan 0.000 0.486 131 Q N 1.156 120.801 119.800 -0.258 0.000 2.297 131 Q HA -0.170 4.170 4.340 0.000 0.000 0.208 131 Q C 1.682 177.461 176.000 -0.368 0.000 0.981 131 Q CA 1.099 56.718 55.803 -0.308 0.000 0.876 131 Q CB 0.106 28.692 28.738 -0.253 0.000 0.921 131 Q HN 0.362 nan 8.270 nan 0.000 0.446 132 R N -1.275 118.897 120.500 -0.547 0.000 2.310 132 R HA 0.111 4.451 4.340 0.000 0.000 0.202 132 R C -0.352 175.520 176.300 -0.713 0.000 0.933 132 R CA -0.065 55.597 56.100 -0.729 0.000 1.054 132 R CB 0.157 29.817 30.300 -1.067 0.000 0.985 132 R HN 0.019 nan 8.270 nan 0.000 0.489 133 F N 0.382 120.198 119.950 -0.223 0.000 2.594 133 F HA 0.610 5.137 4.527 0.000 0.000 0.335 133 F C 0.477 176.188 175.800 -0.148 0.000 1.058 133 F CA -1.654 56.250 58.000 -0.160 0.000 0.981 133 F CB 1.243 40.173 39.000 -0.116 0.000 1.289 133 F HN -0.085 nan 8.300 nan 0.000 0.490 134 A N 1.671 124.570 122.820 0.130 0.000 2.407 134 A HA 0.342 4.662 4.320 0.000 0.000 0.248 134 A C -1.829 175.799 177.584 0.073 0.000 1.082 134 A CA -1.027 51.045 52.037 0.059 0.000 0.785 134 A CB -0.204 18.841 19.000 0.075 0.000 1.020 134 A HN 0.548 nan 8.150 nan 0.000 0.489 135 P HA 0.041 nan 4.420 nan 0.000 0.245 135 P C 1.193 178.350 177.300 -0.238 0.000 1.203 135 P CA 0.410 63.543 63.100 0.055 0.000 0.792 135 P CB 0.090 31.962 31.700 0.288 0.000 0.997 136 L N 1.054 121.943 121.223 -0.556 0.000 2.127 136 L HA -0.184 4.156 4.340 0.000 0.000 0.211 136 L C 2.271 178.864 176.870 -0.461 0.000 1.089 136 L CA 1.874 56.143 54.840 -0.953 0.000 0.757 136 L CB -1.353 40.169 42.059 -0.895 0.000 0.899 136 L HN 0.134 nan 8.230 nan 0.000 0.434 137 N N -1.121 117.423 118.700 -0.260 0.000 2.519 137 N HA -0.153 4.587 4.740 0.000 0.000 0.186 137 N C 1.150 176.657 175.510 -0.005 0.000 1.062 137 N CA 1.297 54.260 53.050 -0.146 0.000 0.910 137 N CB -0.310 38.073 38.487 -0.174 0.000 0.958 137 N HN 0.125 nan 8.380 nan 0.000 0.445 138 S N -1.692 113.994 115.700 -0.024 0.000 2.819 138 S HA 0.173 4.643 4.470 0.000 0.000 0.249 138 S C -0.691 173.934 174.600 0.041 0.000 1.030 138 S CA -0.809 57.392 58.200 0.002 0.000 1.052 138 S CB 0.079 63.188 63.200 -0.150 0.000 1.017 138 S HN 0.238 nan 8.310 nan 0.000 0.576 139 W N 3.238 124.391 121.300 -0.245 0.000 2.193 139 W HA 0.227 4.887 4.660 0.000 0.000 0.338 139 W C -1.970 174.382 176.519 -0.279 0.000 1.310 139 W CA -1.921 55.148 57.345 -0.460 0.000 1.243 139 W CB -0.338 28.924 29.460 -0.330 0.000 1.165 139 W HN 0.106 nan 8.180 nan 0.000 0.566 140 P HA -0.234 nan 4.420 nan 0.000 0.216 140 P C 1.299 178.512 177.300 -0.145 0.000 1.153 140 P CA 1.921 64.930 63.100 -0.152 0.000 0.858 140 P CB 0.300 31.895 31.700 -0.175 0.000 0.789 141 D N -1.621 118.748 120.400 -0.052 0.000 2.310 141 D HA -0.081 4.559 4.640 0.000 0.000 0.212 141 D C 0.920 177.291 176.300 0.119 0.000 0.965 141 D CA 0.762 54.782 54.000 0.033 0.000 0.879 141 D CB -0.556 40.246 40.800 0.004 0.000 0.921 141 D HN 0.023 nan 8.370 nan 0.000 0.510 142 N N 0.096 118.817 118.700 0.034 0.000 2.276 142 N HA 0.154 4.894 4.740 0.000 0.000 0.212 142 N C -0.289 174.968 175.510 -0.421 0.000 1.127 142 N CA -0.066 52.964 53.050 -0.034 0.000 0.834 142 N CB 0.366 38.865 38.487 0.019 0.000 1.014 142 N HN 0.021 nan 8.380 nan 0.000 0.491 143 A N 1.100 123.430 122.820 -0.816 0.000 2.567 143 A HA 0.055 4.376 4.320 0.000 0.000 0.240 143 A C 0.982 177.995 177.584 -0.951 0.000 1.053 143 A CA 0.114 51.103 52.037 -1.746 0.000 0.755 143 A CB -0.042 18.070 19.000 -1.479 0.000 0.978 143 A HN 0.461 nan 8.150 nan 0.000 0.507 144 N N -0.039 118.161 118.700 -0.833 0.000 2.900 144 N HA -0.189 4.551 4.740 0.000 0.000 0.240 144 N C 0.748 176.051 175.510 -0.345 0.000 0.953 144 N CA 1.592 54.366 53.050 -0.461 0.000 0.950 144 N CB -1.306 36.922 38.487 -0.431 0.000 1.102 144 N HN 0.676 nan 8.380 nan 0.000 0.593 145 L N 1.213 122.281 121.223 -0.258 0.000 2.376 145 L HA -0.109 4.232 4.340 0.000 0.000 0.219 145 L C 2.188 179.003 176.870 -0.092 0.000 1.133 145 L CA 1.393 56.144 54.840 -0.149 0.000 0.816 145 L CB -0.406 41.575 42.059 -0.129 0.000 0.933 145 L HN 0.250 nan 8.230 nan 0.000 0.449 146 D N 0.458 120.835 120.400 -0.038 0.000 2.158 146 D HA -0.240 4.400 4.640 0.000 0.000 0.197 146 D C 1.645 177.895 176.300 -0.082 0.000 0.995 146 D CA 1.251 55.225 54.000 -0.044 0.000 0.846 146 D CB -0.198 40.624 40.800 0.036 0.000 0.941 146 D HN 0.215 nan 8.370 nan 0.000 0.456 147 K N 1.252 121.543 120.400 -0.180 0.000 2.025 147 K HA 0.043 4.363 4.320 0.000 0.000 0.207 147 K C 2.458 179.057 176.600 -0.001 0.000 1.049 147 K CA 1.198 57.403 56.287 -0.138 0.000 0.933 147 K CB -0.907 31.146 32.500 -0.745 0.000 0.714 147 K HN 0.283 nan 8.250 nan 0.000 0.438 148 A N 2.195 124.963 122.820 -0.086 0.000 1.892 148 A HA -0.219 4.102 4.320 0.000 0.000 0.218 148 A C 2.299 180.051 177.584 0.280 0.000 1.188 148 A CA 1.785 53.854 52.037 0.054 0.000 0.631 148 A CB -0.500 18.539 19.000 0.065 0.000 0.822 148 A HN 0.294 nan 8.150 nan 0.000 0.447 149 R N -1.520 119.075 120.500 0.159 0.000 2.092 149 R HA -0.091 4.249 4.340 0.000 0.000 0.231 149 R C 2.416 178.887 176.300 0.285 0.000 1.119 149 R CA 1.407 57.612 56.100 0.174 0.000 0.970 149 R CB -0.244 29.980 30.300 -0.128 0.000 0.864 149 R HN 0.436 nan 8.270 nan 0.000 0.440 150 R N 1.369 121.998 120.500 0.216 0.000 2.115 150 R HA -0.024 4.316 4.340 0.000 0.000 0.230 150 R C 1.942 178.534 176.300 0.487 0.000 1.111 150 R CA 1.121 57.392 56.100 0.284 0.000 0.976 150 R CB -0.530 29.827 30.300 0.095 0.000 0.870 150 R HN 0.177 nan 8.270 nan 0.000 0.445 151 L N -0.081 121.441 121.223 0.500 0.000 2.187 151 L HA -0.134 4.207 4.340 0.000 0.000 0.213 151 L C 1.749 178.839 176.870 0.367 0.000 1.100 151 L CA 0.984 56.075 54.840 0.419 0.000 0.765 151 L CB -0.258 41.903 42.059 0.170 0.000 0.904 151 L HN 0.210 nan 8.230 nan 0.000 0.437 152 L N -1.679 119.780 121.223 0.393 0.000 2.558 152 L HA -0.108 4.232 4.340 0.000 0.000 0.225 152 L C 2.177 179.209 176.870 0.270 0.000 1.128 152 L CA 0.099 55.097 54.840 0.264 0.000 0.868 152 L CB -0.398 41.819 42.059 0.262 0.000 1.006 152 L HN 0.498 nan 8.230 nan 0.000 0.454 153 W N 3.073 124.533 121.300 0.267 0.000 2.338 153 W HA -0.151 4.509 4.660 0.000 0.000 0.304 153 W C -0.975 175.598 176.519 0.089 0.000 1.212 153 W CA 1.200 58.675 57.345 0.218 0.000 1.264 153 W CB -1.147 28.474 29.460 0.269 0.000 1.142 153 W HN 0.108 nan 8.180 nan 0.000 0.512 154 P HA -0.217 nan 4.420 nan 0.000 0.216 154 P C 1.721 178.822 177.300 -0.332 0.000 1.153 154 P CA 2.211 65.086 63.100 -0.375 0.000 0.858 154 P CB -0.319 31.325 31.700 -0.093 0.000 0.789 155 I N -1.031 119.435 120.570 -0.173 0.000 2.286 155 I HA -0.207 3.964 4.170 0.000 0.000 0.245 155 I C 2.379 178.421 176.117 -0.125 0.000 1.104 155 I CA 1.196 62.450 61.300 -0.076 0.000 1.397 155 I CB -0.319 37.678 38.000 -0.005 0.000 1.072 155 I HN -0.152 nan 8.210 nan 0.000 0.417 156 K N 1.194 121.418 120.400 -0.293 0.000 2.074 156 K HA -0.282 4.039 4.320 0.000 0.000 0.209 156 K C 2.118 178.484 176.600 -0.389 0.000 1.048 156 K CA 1.761 57.810 56.287 -0.397 0.000 0.926 156 K CB -0.292 31.801 32.500 -0.678 0.000 0.713 156 K HN 0.318 nan 8.250 nan 0.000 0.444 157 Q N 0.184 119.529 119.800 -0.758 0.000 2.119 157 Q HA -0.184 4.156 4.340 0.000 0.000 0.201 157 Q C 2.016 177.761 176.000 -0.425 0.000 0.972 157 Q CA 1.713 57.006 55.803 -0.849 0.000 0.847 157 Q CB -0.133 27.751 28.738 -1.424 0.000 0.903 157 Q HN 0.351 nan 8.270 nan 0.000 0.433 158 K N -0.737 119.421 120.400 -0.403 0.000 2.057 158 K HA -0.180 4.141 4.320 0.000 0.000 0.207 158 K C 1.164 177.475 176.600 -0.482 0.000 1.049 158 K CA 1.530 57.553 56.287 -0.441 0.000 0.931 158 K CB -0.062 32.117 32.500 -0.535 0.000 0.714 158 K HN 0.304 nan 8.250 nan 0.000 0.440 159 Y N -0.183 120.030 120.300 -0.146 0.000 2.497 159 Y HA 0.203 4.753 4.550 0.001 0.000 0.265 159 Y C 1.464 177.340 175.900 -0.040 0.000 1.111 159 Y CA 0.205 58.254 58.100 -0.084 0.000 1.288 159 Y CB 0.599 39.011 38.460 -0.081 0.000 1.082 159 Y HN 0.363 nan 8.280 nan 0.000 0.536 160 G N 1.823 110.650 108.800 0.046 0.000 2.596 160 G HA2 -0.435 3.525 3.960 0.000 0.000 0.295 160 G HA3 -0.435 3.525 3.960 0.000 0.000 0.295 160 G C 1.215 176.203 174.900 0.147 0.000 1.240 160 G CA 0.730 45.872 45.100 0.070 0.000 0.985 160 G HN 0.484 nan 8.290 nan 0.000 0.555 161 R N 0.951 121.558 120.500 0.177 0.000 2.280 161 R HA 0.400 4.740 4.340 0.000 0.000 0.207 161 R C 2.498 179.075 176.300 0.462 0.000 1.043 161 R CA 1.800 58.067 56.100 0.278 0.000 1.006 161 R CB -0.346 30.061 30.300 0.179 0.000 0.885 161 R HN 1.059 nan 8.270 nan 0.000 0.467 162 A N 1.366 124.390 122.820 0.340 0.000 2.119 162 A HA 0.130 4.450 4.320 0.000 0.000 0.217 162 A C 1.108 178.935 177.584 0.406 0.000 1.153 162 A CA 0.466 52.692 52.037 0.315 0.000 0.692 162 A CB -0.021 19.079 19.000 0.168 0.000 0.799 162 A HN 0.459 nan 8.150 nan 0.000 0.458 163 I N 0.504 121.318 120.570 0.408 0.000 2.534 163 I HA 0.309 4.480 4.170 0.000 0.000 0.288 163 I C -0.013 176.268 176.117 0.273 0.000 1.077 163 I CA -0.682 60.885 61.300 0.445 0.000 1.051 163 I CB 2.012 40.135 38.000 0.206 0.000 1.234 163 I HN 0.179 nan 8.210 nan 0.000 0.425 164 S N 4.417 120.251 115.700 0.223 0.000 2.603 164 S HA 0.179 4.650 4.470 0.000 0.000 0.268 164 S C 0.624 175.212 174.600 -0.021 0.000 1.317 164 S CA -0.321 57.831 58.200 -0.081 0.000 1.012 164 S CB 0.800 63.736 63.200 -0.439 0.000 0.926 164 S HN 0.829 nan 8.310 nan 0.000 0.539 165 W N 1.045 122.299 121.300 -0.076 0.000 2.342 165 W HA -0.072 4.588 4.660 0.000 0.000 0.297 165 W C 2.761 179.222 176.519 -0.097 0.000 1.213 165 W CA 1.253 58.552 57.345 -0.077 0.000 1.251 165 W CB -0.576 28.792 29.460 -0.154 0.000 1.136 165 W HN 0.932 nan 8.180 nan 0.000 0.526 166 A N 0.130 123.001 122.820 0.084 0.000 1.883 166 A HA -0.250 4.070 4.320 0.000 0.000 0.217 166 A C 1.682 179.281 177.584 0.023 0.000 1.186 166 A CA 2.266 54.300 52.037 -0.006 0.000 0.624 166 A CB -0.906 18.036 19.000 -0.098 0.000 0.822 166 A HN 0.168 nan 8.150 nan 0.000 0.444 167 D N -0.678 119.754 120.400 0.053 0.000 2.117 167 D HA -0.092 4.549 4.640 0.000 0.000 0.198 167 D C 1.857 178.280 176.300 0.204 0.000 0.982 167 D CA 1.084 55.187 54.000 0.173 0.000 0.828 167 D CB -0.394 40.566 40.800 0.267 0.000 0.967 167 D HN 0.305 nan 8.370 nan 0.000 0.464 168 L N 0.879 122.173 121.223 0.118 0.000 2.042 168 L HA -0.122 4.218 4.340 0.000 0.000 0.210 168 L C 2.168 179.065 176.870 0.044 0.000 1.076 168 L CA 1.351 56.211 54.840 0.033 0.000 0.749 168 L CB -0.561 41.462 42.059 -0.061 0.000 0.893 168 L HN 0.028 nan 8.230 nan 0.000 0.432 169 L N -1.207 120.085 121.223 0.115 0.000 2.042 169 L HA -0.253 4.088 4.340 0.000 0.000 0.210 169 L C 2.466 179.394 176.870 0.096 0.000 1.076 169 L CA 0.989 55.894 54.840 0.109 0.000 0.749 169 L CB -0.751 41.371 42.059 0.104 0.000 0.893 169 L HN 0.281 nan 8.230 nan 0.000 0.432 170 I N -0.520 120.115 120.570 0.108 0.000 2.233 170 I HA -0.231 3.939 4.170 0.000 0.000 0.243 170 I C 2.498 178.704 176.117 0.149 0.000 1.093 170 I CA 1.143 62.540 61.300 0.162 0.000 1.380 170 I CB -1.136 36.959 38.000 0.159 0.000 1.067 170 I HN 0.208 nan 8.210 nan 0.000 0.413 171 L N 0.909 122.119 121.223 -0.023 0.000 2.043 171 L HA -0.234 4.107 4.340 0.000 0.000 0.212 171 L C 2.495 179.252 176.870 -0.188 0.000 1.075 171 L CA 2.124 56.717 54.840 -0.412 0.000 0.752 171 L CB -1.089 40.677 42.059 -0.488 0.000 0.891 171 L HN 0.199 nan 8.230 nan 0.000 0.432 172 T N -0.679 113.798 114.554 -0.127 0.000 2.720 172 T HA -0.136 4.215 4.350 0.000 0.000 0.268 172 T C 1.688 176.367 174.700 -0.034 0.000 1.037 172 T CA 1.320 63.310 62.100 -0.183 0.000 1.144 172 T CB -0.897 67.761 68.868 -0.349 0.000 0.864 172 T HN 0.614 nan 8.240 nan 0.000 0.444 173 G N 1.618 110.498 108.800 0.135 0.000 2.418 173 G HA2 -0.267 3.693 3.960 0.000 0.000 0.217 173 G HA3 -0.267 3.693 3.960 0.000 0.000 0.217 173 G C 1.625 176.628 174.900 0.173 0.000 1.158 173 G CA 0.941 46.212 45.100 0.284 0.000 0.771 173 G HN 0.405 nan 8.290 nan 0.000 0.545 174 N N 0.251 119.090 118.700 0.230 0.000 2.069 174 N HA -0.117 4.624 4.740 0.000 0.000 0.191 174 N C 2.236 177.753 175.510 0.013 0.000 1.031 174 N CA 1.302 54.432 53.050 0.133 0.000 0.852 174 N CB -0.538 38.034 38.487 0.142 0.000 1.018 174 N HN 0.196 nan 8.380 nan 0.000 0.423 175 V N 0.842 120.747 119.914 -0.015 0.000 2.427 175 V HA -0.148 3.972 4.120 0.000 0.000 0.248 175 V C 2.250 178.377 176.094 0.055 0.000 1.051 175 V CA 1.586 63.889 62.300 0.006 0.000 1.048 175 V CB -1.029 30.781 31.823 -0.022 0.000 0.666 175 V HN 0.335 nan 8.190 nan 0.000 0.456 176 A N 0.177 123.028 122.820 0.050 0.000 1.873 176 A HA -0.231 4.089 4.320 0.000 0.000 0.218 176 A C 2.232 179.774 177.584 -0.071 0.000 1.193 176 A CA 2.157 54.243 52.037 0.082 0.000 0.629 176 A CB -0.684 18.387 19.000 0.118 0.000 0.826 176 A HN 0.481 nan 8.150 nan 0.000 0.447 177 L N -0.828 120.274 121.223 -0.201 0.000 2.012 177 L HA -0.258 4.082 4.340 0.000 0.000 0.210 177 L C 2.692 179.555 176.870 -0.013 0.000 1.073 177 L CA 1.977 56.655 54.840 -0.271 0.000 0.748 177 L CB -0.611 41.254 42.059 -0.324 0.000 0.891 177 L HN 0.506 nan 8.230 nan 0.000 0.431 178 E N -0.365 119.850 120.200 0.026 0.000 2.072 178 E HA -0.199 4.151 4.350 0.000 0.000 0.191 178 E C 2.264 178.942 176.600 0.131 0.000 0.985 178 E CA 1.500 57.936 56.400 0.061 0.000 0.801 178 E CB -0.117 29.603 29.700 0.032 0.000 0.750 178 E HN 0.534 nan 8.360 nan 0.000 0.452 179 S N 0.484 116.296 115.700 0.187 0.000 2.442 179 S HA -0.107 4.363 4.470 0.000 0.000 0.236 179 S C 1.749 176.497 174.600 0.247 0.000 1.007 179 S CA 0.905 59.279 58.200 0.290 0.000 0.965 179 S CB -0.125 63.228 63.200 0.256 0.000 0.773 179 S HN 0.165 nan 8.310 nan 0.000 0.504 180 M N 0.760 120.466 119.600 0.176 0.000 2.475 180 M HA 0.342 4.822 4.480 0.000 0.000 0.261 180 M C 1.239 177.728 176.300 0.314 0.000 1.177 180 M CA 0.386 55.808 55.300 0.204 0.000 0.979 180 M CB 0.668 33.356 32.600 0.147 0.000 1.482 180 M HN 0.555 nan 8.290 nan 0.000 0.484 181 G N 1.364 110.312 108.800 0.248 0.000 2.141 181 G HA2 -0.275 3.685 3.960 0.000 0.000 0.231 181 G HA3 -0.275 3.685 3.960 0.000 0.000 0.231 181 G C -0.311 174.714 174.900 0.209 0.000 0.984 181 G CA -0.515 44.723 45.100 0.230 0.000 0.660 181 G HN 0.465 nan 8.290 nan 0.000 0.525 182 F N 1.883 121.828 119.950 -0.009 0.000 2.410 182 F HA 0.617 5.144 4.527 0.000 0.000 0.349 182 F C 0.601 176.249 175.800 -0.253 0.000 1.117 182 F CA -1.142 56.687 58.000 -0.285 0.000 1.104 182 F CB 1.003 39.774 39.000 -0.381 0.000 1.122 182 F HN 0.038 nan 8.300 nan 0.000 0.483 183 K N 5.939 125.763 120.400 -0.961 0.000 2.284 183 K HA 0.221 4.541 4.320 0.000 0.000 0.287 183 K C -0.130 175.998 176.600 -0.787 0.000 1.081 183 K CA -0.364 55.526 56.287 -0.662 0.000 0.910 183 K CB 0.372 32.581 32.500 -0.485 0.000 1.088 183 K HN 0.805 nan 8.250 nan 0.000 0.478 184 T N 1.124 115.487 114.554 -0.319 0.000 2.828 184 T HA 0.100 4.450 4.350 0.000 0.000 0.290 184 T C 0.735 175.432 174.700 -0.005 0.000 1.019 184 T CA -0.589 61.476 62.100 -0.058 0.000 1.031 184 T CB 0.533 69.477 68.868 0.128 0.000 1.001 184 T HN 0.538 nan 8.240 nan 0.000 0.531 185 F N 0.875 120.798 119.950 -0.046 0.000 2.710 185 F HA 0.417 4.944 4.527 0.000 0.000 0.298 185 F C 1.264 176.934 175.800 -0.216 0.000 1.137 185 F CA 0.890 58.807 58.000 -0.138 0.000 1.444 185 F CB -0.429 38.506 39.000 -0.109 0.000 1.111 185 F HN 1.241 nan 8.300 nan 0.000 0.580 186 G N -0.316 108.468 108.800 -0.026 0.000 2.346 186 G HA2 0.226 4.186 3.960 0.000 0.000 0.294 186 G HA3 0.226 4.186 3.960 0.000 0.000 0.294 186 G C -1.973 173.095 174.900 0.279 0.000 1.294 186 G CA -0.522 44.541 45.100 -0.062 0.000 0.962 186 G HN 0.288 nan 8.290 nan 0.000 0.508 187 F N 0.193 120.200 119.950 0.095 0.000 2.639 187 F HA 0.748 5.275 4.527 0.000 0.000 0.320 187 F C -0.493 175.425 175.800 0.196 0.000 1.128 187 F CA 0.070 58.227 58.000 0.262 0.000 1.037 187 F CB 1.420 40.549 39.000 0.214 0.000 1.288 187 F HN 1.493 nan 8.300 nan 0.000 0.463 188 A N 3.663 126.155 122.820 -0.547 0.000 2.318 188 A HA 0.817 5.137 4.320 0.000 0.000 0.324 188 A C -0.075 176.826 177.584 -1.138 0.000 1.170 188 A CA -0.114 51.533 52.037 -0.649 0.000 0.810 188 A CB 0.873 19.474 19.000 -0.665 0.000 1.198 188 A HN 1.273 nan 8.150 nan 0.000 0.484 189 G N -0.359 107.974 108.800 -0.778 0.000 2.537 189 G HA2 0.563 4.523 3.960 0.000 0.000 0.297 189 G HA3 0.563 4.523 3.960 0.000 0.000 0.297 189 G C 0.843 175.313 174.900 -0.716 0.000 1.310 189 G CA -0.173 44.365 45.100 -0.937 0.000 1.027 189 G HN 2.171 nan 8.290 nan 0.000 0.505 190 G N -1.577 106.867 108.800 -0.594 0.000 2.183 190 G HA2 -0.194 3.766 3.960 0.000 0.000 0.168 190 G HA3 -0.194 3.766 3.960 0.000 0.000 0.168 190 G C 0.415 175.331 174.900 0.026 0.000 1.008 190 G CA -0.236 44.749 45.100 -0.193 0.000 0.677 190 G HN 0.714 nan 8.290 nan 0.000 0.498 191 R N 1.215 121.693 120.500 -0.036 0.000 2.309 191 R HA 0.553 4.893 4.340 0.000 0.000 0.331 191 R C 0.985 177.171 176.300 -0.190 0.000 1.116 191 R CA 0.464 56.507 56.100 -0.095 0.000 0.970 191 R CB 0.682 30.897 30.300 -0.143 0.000 1.024 191 R HN 0.516 nan 8.270 nan 0.000 0.472 192 A N 3.261 125.997 122.820 -0.140 0.000 2.511 192 A HA -0.003 4.317 4.320 0.000 0.000 0.242 192 A C -0.007 177.413 177.584 -0.273 0.000 1.069 192 A CA -0.262 51.612 52.037 -0.271 0.000 0.763 192 A CB 0.204 19.207 19.000 0.006 0.000 1.001 192 A HN 0.558 nan 8.150 nan 0.000 0.498 193 D N 0.925 121.127 120.400 -0.330 0.000 2.382 193 D HA 0.384 5.024 4.640 0.000 0.000 0.240 193 D C 0.875 176.878 176.300 -0.495 0.000 1.146 193 D CA 0.943 54.706 54.000 -0.394 0.000 0.897 193 D CB 0.974 41.471 40.800 -0.506 0.000 1.197 193 D HN 0.704 nan 8.370 nan 0.000 0.432 194 T N -1.841 112.371 114.554 -0.571 0.000 2.940 194 T HA 0.530 4.880 4.350 0.000 0.000 0.288 194 T C 0.161 174.417 174.700 -0.741 0.000 1.045 194 T CA -0.806 60.969 62.100 -0.541 0.000 1.018 194 T CB 1.187 69.897 68.868 -0.263 0.000 1.151 194 T HN 0.532 nan 8.240 nan 0.000 0.529 195 W N 0.129 121.418 121.300 -0.018 0.000 2.534 195 W HA 0.330 4.991 4.660 0.001 0.000 0.339 195 W C 0.468 176.695 176.519 -0.486 0.000 0.961 195 W CA -0.665 56.637 57.345 -0.072 0.000 1.545 195 W CB 0.633 30.103 29.460 0.015 0.000 1.104 195 W HN 0.957 nan 8.180 nan 0.000 0.538 196 E N -0.590 119.272 120.200 -0.563 0.000 2.430 196 E HA 0.404 4.754 4.350 0.000 0.000 0.279 196 E C -2.929 173.317 176.600 -0.591 0.000 1.003 196 E CA -2.647 53.377 56.400 -0.627 0.000 0.801 196 E CB 1.850 31.455 29.700 -0.159 0.000 1.313 196 E HN -0.379 nan 8.360 nan 0.000 0.459 197 P HA 0.024 nan 4.420 nan 0.000 0.264 197 P C -0.845 176.460 177.300 0.009 0.000 1.193 197 P CA 0.214 63.252 63.100 -0.103 0.000 0.763 197 P CB 0.462 32.153 31.700 -0.014 0.000 0.810 198 E N 2.217 122.469 120.200 0.086 0.000 2.331 198 E HA 0.076 4.426 4.350 0.000 0.000 0.272 198 E C -0.380 176.256 176.600 0.060 0.000 1.036 198 E CA -0.327 56.132 56.400 0.099 0.000 0.864 198 E CB 0.283 30.059 29.700 0.126 0.000 1.035 198 E HN 0.345 nan 8.360 nan 0.000 0.408 199 D N 3.630 124.030 120.400 -0.001 0.000 2.344 199 D HA 0.124 4.764 4.640 0.000 0.000 0.253 199 D C -0.815 175.417 176.300 -0.113 0.000 1.255 199 D CA 0.141 54.122 54.000 -0.032 0.000 0.894 199 D CB 0.763 41.534 40.800 -0.049 0.000 1.067 199 D HN 0.040 nan 8.370 nan 0.000 0.492 200 V N 3.006 122.796 119.914 -0.206 0.000 2.789 200 V HA 0.105 4.225 4.120 0.000 0.000 0.311 200 V C -0.541 175.207 176.094 -0.576 0.000 1.073 200 V CA -1.104 60.865 62.300 -0.551 0.000 0.921 200 V CB 2.038 33.147 31.823 -1.190 0.000 1.009 200 V HN 0.379 nan 8.190 nan 0.000 0.426 201 Y N 2.771 122.753 120.300 -0.530 0.000 2.539 201 Y HA 0.263 4.813 4.550 0.000 0.000 0.352 201 Y C 0.190 175.881 175.900 -0.349 0.000 1.004 201 Y CA -0.781 57.121 58.100 -0.330 0.000 1.278 201 Y CB 0.599 38.936 38.460 -0.205 0.000 1.136 201 Y HN 0.767 nan 8.280 nan 0.000 0.528 202 W N 4.382 125.451 121.300 -0.384 0.000 3.220 202 W HA 0.479 5.139 4.660 0.000 0.000 0.328 202 W C 0.832 176.998 176.519 -0.587 0.000 1.205 202 W CA 0.449 57.608 57.345 -0.311 0.000 1.773 202 W CB 0.392 29.875 29.460 0.038 0.000 1.086 202 W HN 0.978 nan 8.180 nan 0.000 0.622 203 G N -0.490 107.678 108.800 -1.054 0.000 2.355 203 G HA2 -0.062 3.898 3.960 0.000 0.000 0.619 203 G HA3 -0.062 3.898 3.960 0.000 0.000 0.619 203 G C -0.049 174.657 174.900 -0.323 0.000 1.337 203 G CA -0.357 44.320 45.100 -0.705 0.000 0.993 203 G HN -0.223 nan 8.290 nan 0.000 0.599 204 S N -0.191 115.478 115.700 -0.053 0.000 2.559 204 S HA 0.260 4.730 4.470 0.000 0.000 0.226 204 S C 0.557 175.143 174.600 -0.024 0.000 1.000 204 S CA 0.218 58.453 58.200 0.059 0.000 0.948 204 S CB 0.286 63.572 63.200 0.144 0.000 0.870 204 S HN 0.572 nan 8.310 nan 0.000 0.497 205 E N 1.696 121.848 120.200 -0.081 0.000 2.383 205 E HA 0.182 4.533 4.350 0.000 0.000 0.264 205 E C 0.628 177.126 176.600 -0.170 0.000 1.050 205 E CA 0.009 56.346 56.400 -0.104 0.000 0.896 205 E CB 0.475 30.111 29.700 -0.108 0.000 0.982 205 E HN -0.138 nan 8.360 nan 0.000 0.424 206 K N 1.481 121.790 120.400 -0.151 0.000 2.358 206 K HA 0.301 4.621 4.320 0.000 0.000 0.197 206 K C -0.099 176.363 176.600 -0.230 0.000 1.025 206 K CA 0.132 56.309 56.287 -0.183 0.000 1.104 206 K CB 0.312 32.746 32.500 -0.109 0.000 0.855 206 K HN 0.444 nan 8.250 nan 0.000 0.531 207 I N 0.062 120.500 120.570 -0.220 0.000 2.498 207 I HA 0.267 4.438 4.170 0.000 0.000 0.290 207 I C -0.556 175.456 176.117 -0.176 0.000 1.032 207 I CA -1.110 60.087 61.300 -0.172 0.000 1.073 207 I CB 1.489 39.456 38.000 -0.055 0.000 1.251 207 I HN -0.079 nan 8.210 nan 0.000 0.426 208 W N 6.655 127.932 121.300 -0.038 0.000 2.257 208 W HA 0.203 4.863 4.660 0.000 0.000 0.337 208 W C 0.974 177.454 176.519 -0.065 0.000 1.321 208 W CA -0.040 57.264 57.345 -0.068 0.000 1.267 208 W CB 0.247 29.682 29.460 -0.041 0.000 1.187 208 W HN 0.464 nan 8.180 nan 0.000 0.565 209 L N 0.968 122.306 121.223 0.191 0.000 4.429 209 L HA -0.299 4.042 4.340 0.000 0.000 0.422 209 L C 0.826 177.731 176.870 0.060 0.000 1.149 209 L CA 0.325 55.220 54.840 0.092 0.000 0.972 209 L CB -1.716 40.400 42.059 0.095 0.000 2.059 209 L HN 0.577 nan 8.230 nan 0.000 0.870 210 E N 1.424 121.646 120.200 0.037 0.000 2.608 210 E HA 0.115 4.466 4.350 0.000 0.000 0.259 210 E C 0.345 176.969 176.600 0.041 0.000 0.951 210 E CA -0.104 56.312 56.400 0.027 0.000 0.945 210 E CB 0.510 30.210 29.700 -0.001 0.000 0.916 210 E HN 0.258 nan 8.360 nan 0.000 0.477 211 L N 3.539 124.788 121.223 0.043 0.000 2.467 211 L HA 0.055 4.395 4.340 0.000 0.000 0.270 211 L C 0.901 177.806 176.870 0.058 0.000 1.205 211 L CA -0.461 54.408 54.840 0.048 0.000 0.828 211 L CB 0.562 42.643 42.059 0.036 0.000 1.101 211 L HN 0.642 nan 8.230 nan 0.000 0.479 212 S N 0.375 116.115 115.700 0.066 0.000 2.569 212 S HA 0.328 4.798 4.470 0.000 0.000 0.274 212 S C 1.037 175.677 174.600 0.066 0.000 1.353 212 S CA -0.109 58.153 58.200 0.102 0.000 1.023 212 S CB 1.062 64.290 63.200 0.045 0.000 0.876 212 S HN 1.127 nan 8.310 nan 0.000 0.540 213 G N 0.474 109.326 108.800 0.086 0.000 2.159 213 G HA2 -0.042 3.918 3.960 0.000 0.000 0.227 213 G HA3 -0.042 3.918 3.960 0.000 0.000 0.227 213 G C 0.488 175.416 174.900 0.046 0.000 0.986 213 G CA 0.009 45.145 45.100 0.060 0.000 0.651 213 G HN 1.338 nan 8.290 nan 0.000 0.523 214 G N 0.265 109.093 108.800 0.046 0.000 2.612 214 G HA2 0.571 4.531 3.960 0.000 0.000 0.275 214 G HA3 0.571 4.531 3.960 0.000 0.000 0.275 214 G C -0.067 174.850 174.900 0.029 0.000 1.268 214 G CA 0.003 45.122 45.100 0.031 0.000 0.989 214 G HN 0.121 nan 8.290 nan 0.000 0.505 215 P HA -0.075 nan 4.420 nan 0.000 0.219 215 P C 0.560 177.872 177.300 0.021 0.000 1.146 215 P CA 0.950 64.061 63.100 0.017 0.000 0.808 215 P CB 0.291 31.996 31.700 0.009 0.000 0.779 216 N N -0.586 118.126 118.700 0.020 0.000 2.389 216 N HA 0.043 4.783 4.740 0.000 0.000 0.260 216 N C -0.083 175.448 175.510 0.035 0.000 1.191 216 N CA -0.021 53.044 53.050 0.024 0.000 0.885 216 N CB 0.214 38.706 38.487 0.009 0.000 1.162 216 N HN -0.016 nan 8.380 nan 0.000 0.512 217 S N 1.205 116.934 115.700 0.049 0.000 2.563 217 S HA -0.063 4.407 4.470 0.000 0.000 0.294 217 S C 1.539 176.177 174.600 0.063 0.000 1.279 217 S CA -0.179 58.066 58.200 0.076 0.000 1.069 217 S CB 0.508 63.767 63.200 0.099 0.000 0.828 217 S HN 0.456 nan 8.310 nan 0.000 0.497 218 R N 3.552 124.078 120.500 0.043 0.000 2.313 218 R HA 0.118 4.459 4.340 0.000 0.000 0.199 218 R C -0.579 175.599 176.300 -0.203 0.000 0.958 218 R CA 0.308 56.365 56.100 -0.072 0.000 1.047 218 R CB -0.125 30.088 30.300 -0.145 0.000 0.955 218 R HN 0.581 nan 8.270 nan 0.000 0.481 219 Y N 0.709 121.034 120.300 0.041 0.000 2.468 219 Y HA 0.403 4.953 4.550 0.000 0.000 0.342 219 Y C 0.221 176.144 175.900 0.038 0.000 1.021 219 Y CA -0.439 57.686 58.100 0.042 0.000 1.079 219 Y CB 2.246 40.730 38.460 0.040 0.000 1.226 219 Y HN 0.161 nan 8.280 nan 0.000 0.460 220 S N 0.448 116.271 115.700 0.204 0.000 2.638 220 S HA 0.844 5.314 4.470 0.000 0.000 0.274 220 S C 0.073 174.746 174.600 0.121 0.000 1.157 220 S CA -0.369 57.909 58.200 0.130 0.000 0.826 220 S CB 1.386 64.636 63.200 0.082 0.000 1.139 220 S HN 1.496 nan 8.310 nan 0.000 0.474 221 G N 1.482 110.333 108.800 0.084 0.000 2.596 221 G HA2 -0.247 3.713 3.960 0.000 0.000 0.295 221 G HA3 -0.247 3.713 3.960 0.000 0.000 0.295 221 G C -0.355 174.588 174.900 0.072 0.000 1.240 221 G CA 0.681 45.823 45.100 0.070 0.000 0.985 221 G HN 1.170 nan 8.290 nan 0.000 0.555 222 D N 1.190 121.631 120.400 0.069 0.000 2.522 222 D HA 0.411 5.051 4.640 0.000 0.000 0.218 222 D C 1.176 177.527 176.300 0.085 0.000 1.149 222 D CA -0.047 53.989 54.000 0.060 0.000 0.981 222 D CB -0.497 40.331 40.800 0.046 0.000 1.041 222 D HN 0.727 nan 8.370 nan 0.000 0.518 223 R N 1.813 122.369 120.500 0.092 0.000 3.225 223 R HA -0.204 4.136 4.340 0.000 0.000 0.245 223 R C -0.639 175.852 176.300 0.319 0.000 0.928 223 R CA 0.561 56.746 56.100 0.142 0.000 0.632 223 R CB -0.866 29.433 30.300 -0.003 0.000 1.038 223 R HN 0.411 nan 8.270 nan 0.000 0.461 224 Q N 0.950 120.926 119.800 0.294 0.000 2.296 224 Q HA 0.216 4.557 4.340 0.000 0.000 0.257 224 Q C -0.246 175.836 176.000 0.137 0.000 0.942 224 Q CA -0.701 55.221 55.803 0.198 0.000 0.939 224 Q CB 1.525 30.332 28.738 0.114 0.000 1.198 224 Q HN 0.289 nan 8.270 nan 0.000 0.429 225 L N 2.825 124.045 121.223 -0.004 0.000 2.312 225 L HA 0.206 4.546 4.340 0.000 0.000 0.281 225 L C 0.238 177.009 176.870 -0.166 0.000 1.070 225 L CA -0.140 54.489 54.840 -0.351 0.000 0.805 225 L CB 0.880 42.749 42.059 -0.318 0.000 1.174 225 L HN 0.561 nan 8.230 nan 0.000 0.434 226 E N 3.168 123.262 120.200 -0.177 0.000 2.290 226 E HA 0.115 4.465 4.350 0.000 0.000 0.277 226 E C -0.602 175.982 176.600 -0.028 0.000 1.035 226 E CA -0.569 55.795 56.400 -0.060 0.000 0.873 226 E CB 0.364 30.052 29.700 -0.019 0.000 1.029 226 E HN 0.596 nan 8.360 nan 0.000 0.419 227 N N 4.199 122.887 118.700 -0.020 0.000 2.454 227 N HA 0.020 4.761 4.740 0.000 0.000 0.254 227 N C -1.700 173.809 175.510 -0.002 0.000 1.228 227 N CA -1.434 51.601 53.050 -0.024 0.000 0.900 227 N CB 0.737 39.194 38.487 -0.050 0.000 1.089 227 N HN 0.510 nan 8.380 nan 0.000 0.449 228 P HA 0.146 nan 4.420 nan 0.000 0.259 228 P C -0.367 176.929 177.300 -0.007 0.000 1.530 228 P CA 0.034 63.122 63.100 -0.020 0.000 1.022 228 P CB 0.210 31.878 31.700 -0.053 0.000 1.514 229 L N 0.322 121.555 121.223 0.017 0.000 2.461 229 L HA 0.325 4.665 4.340 0.000 0.000 0.272 229 L C 1.223 178.104 176.870 0.018 0.000 1.197 229 L CA -0.159 54.686 54.840 0.008 0.000 0.836 229 L CB 0.353 42.393 42.059 -0.032 0.000 1.105 229 L HN -0.017 nan 8.230 nan 0.000 0.477 230 A N 1.875 124.735 122.820 0.067 0.000 2.605 230 A HA 0.697 5.018 4.320 0.000 0.000 0.292 230 A C 0.111 177.795 177.584 0.167 0.000 1.055 230 A CA 0.221 52.324 52.037 0.110 0.000 0.969 230 A CB 0.364 19.433 19.000 0.115 0.000 1.236 230 A HN 0.710 nan 8.150 nan 0.000 0.534 231 A N -0.699 122.187 122.820 0.109 0.000 2.515 231 A HA 0.622 4.942 4.320 0.000 0.000 0.296 231 A C 0.821 178.460 177.584 0.091 0.000 1.094 231 A CA 0.216 52.319 52.037 0.110 0.000 0.718 231 A CB 0.809 19.814 19.000 0.008 0.000 1.307 231 A HN 1.161 nan 8.150 nan 0.000 0.408 232 V N -1.887 118.124 119.914 0.161 0.000 3.129 232 V HA 0.219 4.339 4.120 0.000 0.000 0.259 232 V C 0.325 176.547 176.094 0.213 0.000 1.116 232 V CA 1.295 63.759 62.300 0.274 0.000 1.127 232 V CB -1.011 30.993 31.823 0.302 0.000 0.742 232 V HN 0.710 nan 8.190 nan 0.000 0.474 233 Q N -0.076 119.766 119.800 0.070 0.000 2.377 233 Q HA 0.530 4.870 4.340 0.000 0.000 0.279 233 Q C -1.096 174.838 176.000 -0.110 0.000 1.049 233 Q CA -0.990 54.821 55.803 0.014 0.000 0.825 233 Q CB 2.306 31.063 28.738 0.032 0.000 1.401 233 Q HN 0.306 nan 8.270 nan 0.000 0.404 234 M N 1.480 121.009 119.600 -0.119 0.000 2.390 234 M HA 0.253 4.734 4.480 0.000 0.000 0.353 234 M C 0.788 176.947 176.300 -0.235 0.000 1.623 234 M CA 1.871 57.043 55.300 -0.214 0.000 1.065 234 M CB -0.722 31.757 32.600 -0.201 0.000 2.025 234 M HN 0.873 nan 8.290 nan 0.000 0.461 235 G N 3.830 112.154 108.800 -0.793 0.000 2.179 235 G HA2 -0.159 3.801 3.960 0.000 0.000 0.220 235 G HA3 -0.159 3.801 3.960 0.000 0.000 0.220 235 G C -0.227 174.184 174.900 -0.815 0.000 0.990 235 G CA 0.021 44.423 45.100 -1.164 0.000 0.646 235 G HN 0.689 nan 8.290 nan 0.000 0.517 236 L N 1.050 121.913 121.223 -0.600 0.000 2.360 236 L HA 0.473 4.813 4.340 0.000 0.000 0.271 236 L C 1.832 178.527 176.870 -0.292 0.000 1.057 236 L CA -1.420 53.240 54.840 -0.300 0.000 0.803 236 L CB 0.854 42.846 42.059 -0.112 0.000 1.207 236 L HN -0.146 nan 8.230 nan 0.000 0.445 237 I N 0.565 120.988 120.570 -0.245 0.000 2.193 237 I HA -0.193 3.977 4.170 0.000 0.000 0.240 237 I C 1.273 177.067 176.117 -0.539 0.000 1.084 237 I CA 2.151 63.160 61.300 -0.486 0.000 1.365 237 I CB -0.594 36.861 38.000 -0.909 0.000 1.064 237 I HN 0.646 nan 8.210 nan 0.000 0.410 238 Y N -0.746 119.591 120.300 0.061 0.000 3.274 238 Y HA 0.264 4.814 4.550 0.001 0.000 0.174 238 Y C 0.670 176.675 175.900 0.175 0.000 0.880 238 Y CA -0.304 57.881 58.100 0.142 0.000 1.793 238 Y CB 0.138 38.754 38.460 0.260 0.000 1.409 238 Y HN -0.136 nan 8.280 nan 0.000 0.368 239 V N -1.160 119.003 119.914 0.416 0.000 3.155 239 V HA 0.533 4.653 4.120 0.000 0.000 0.313 239 V C -0.907 175.332 176.094 0.241 0.000 1.162 239 V CA -1.134 61.348 62.300 0.303 0.000 1.048 239 V CB 1.735 33.745 31.823 0.311 0.000 1.092 239 V HN 0.310 nan 8.190 nan 0.000 0.447 240 N N 2.352 121.170 118.700 0.196 0.000 2.422 240 N HA 0.421 5.161 4.740 0.000 0.000 0.264 240 N C -1.674 173.949 175.510 0.188 0.000 1.063 240 N CA -2.006 51.144 53.050 0.166 0.000 0.959 240 N CB 1.669 40.235 38.487 0.132 0.000 1.087 240 N HN 0.609 nan 8.380 nan 0.000 0.483 241 P HA -0.016 nan 4.420 nan 0.000 0.233 241 P C 0.299 177.724 177.300 0.210 0.000 1.167 241 P CA 0.989 64.222 63.100 0.222 0.000 0.770 241 P CB 0.548 32.384 31.700 0.227 0.000 0.837 242 E N -0.286 120.028 120.200 0.189 0.000 2.299 242 E HA 0.248 4.598 4.350 0.000 0.000 0.193 242 E C 0.917 177.638 176.600 0.201 0.000 0.998 242 E CA 0.454 56.981 56.400 0.211 0.000 0.851 242 E CB 0.037 29.860 29.700 0.205 0.000 0.795 242 E HN 0.236 nan 8.360 nan 0.000 0.492 243 G N 1.330 110.230 108.800 0.168 0.000 2.357 243 G HA2 -0.081 3.880 3.960 0.000 0.000 0.643 243 G HA3 -0.081 3.880 3.960 0.000 0.000 0.643 243 G C -3.128 171.835 174.900 0.104 0.000 1.358 243 G CA -1.327 43.853 45.100 0.133 0.000 0.986 243 G HN -0.225 nan 8.290 nan 0.000 0.620 244 P HA 0.248 nan 4.420 nan 0.000 0.263 244 P C -0.096 177.221 177.300 0.027 0.000 1.195 244 P CA 0.577 63.702 63.100 0.040 0.000 0.762 244 P CB 0.310 32.013 31.700 0.004 0.000 0.799 245 D N 3.357 123.774 120.400 0.028 0.000 2.733 245 D HA -0.233 4.408 4.640 0.000 0.000 0.232 245 D C 1.202 177.535 176.300 0.055 0.000 1.161 245 D CA 1.949 55.969 54.000 0.034 0.000 0.653 245 D CB -1.453 39.349 40.800 0.004 0.000 1.052 245 D HN 0.822 nan 8.370 nan 0.000 0.424 246 G N 0.456 109.306 108.800 0.082 0.000 2.176 246 G HA2 -0.345 3.615 3.960 0.000 0.000 0.253 246 G HA3 -0.345 3.615 3.960 0.000 0.000 0.253 246 G C 0.097 175.072 174.900 0.125 0.000 0.979 246 G CA 0.256 45.429 45.100 0.121 0.000 0.641 246 G HN 0.634 nan 8.290 nan 0.000 0.530 247 N N 1.450 120.189 118.700 0.064 0.000 2.401 247 N HA 0.355 5.095 4.740 0.000 0.000 0.255 247 N C -2.316 173.202 175.510 0.013 0.000 1.110 247 N CA -1.380 51.678 53.050 0.013 0.000 0.949 247 N CB 1.301 39.792 38.487 0.007 0.000 1.110 247 N HN 0.084 nan 8.380 nan 0.000 0.490 248 P HA 0.116 nan 4.420 nan 0.000 0.230 248 P C -1.286 176.114 177.300 0.167 0.000 1.791 248 P CA -0.017 63.112 63.100 0.048 0.000 1.020 248 P CB -0.164 31.429 31.700 -0.179 0.000 1.977 249 D N 2.250 122.720 120.400 0.116 0.000 2.453 249 D HA 0.254 4.894 4.640 0.000 0.000 0.238 249 D C -1.858 174.479 176.300 0.061 0.000 1.088 249 D CA -2.621 51.431 54.000 0.087 0.000 0.854 249 D CB 1.729 42.552 40.800 0.039 0.000 1.076 249 D HN -0.058 nan 8.370 nan 0.000 0.533 250 P HA -0.098 nan 4.420 nan 0.000 0.220 250 P C 1.483 178.813 177.300 0.049 0.000 1.148 250 P CA 0.377 63.474 63.100 -0.004 0.000 0.803 250 P CB 0.531 32.166 31.700 -0.109 0.000 0.782 251 V N 0.279 120.214 119.914 0.034 0.000 2.323 251 V HA -0.205 3.916 4.120 0.000 0.000 0.244 251 V C 2.479 178.601 176.094 0.047 0.000 1.041 251 V CA 2.214 64.544 62.300 0.051 0.000 1.025 251 V CB -1.671 30.171 31.823 0.032 0.000 0.656 251 V HN 0.094 nan 8.190 nan 0.000 0.451 252 A N -0.007 122.836 122.820 0.038 0.000 1.933 252 A HA -0.083 4.237 4.320 0.000 0.000 0.218 252 A C 2.398 180.018 177.584 0.060 0.000 1.175 252 A CA 1.943 54.003 52.037 0.038 0.000 0.628 252 A CB -0.705 18.310 19.000 0.025 0.000 0.814 252 A HN 0.560 nan 8.150 nan 0.000 0.444 253 A N -0.060 122.805 122.820 0.075 0.000 1.933 253 A HA 0.162 4.482 4.320 0.000 0.000 0.218 253 A C 2.475 180.134 177.584 0.125 0.000 1.175 253 A CA 1.950 54.048 52.037 0.102 0.000 0.628 253 A CB -0.952 18.112 19.000 0.107 0.000 0.814 253 A HN 1.057 nan 8.150 nan 0.000 0.444 254 A N -0.172 122.725 122.820 0.128 0.000 1.940 254 A HA -0.192 4.128 4.320 0.000 0.000 0.219 254 A C 2.220 179.891 177.584 0.144 0.000 1.176 254 A CA 1.619 53.772 52.037 0.192 0.000 0.631 254 A CB -0.470 18.639 19.000 0.182 0.000 0.814 254 A HN 0.562 nan 8.150 nan 0.000 0.446 255 R N -0.538 120.013 120.500 0.085 0.000 2.091 255 R HA -0.139 4.201 4.340 0.000 0.000 0.238 255 R C 1.560 177.931 176.300 0.119 0.000 1.136 255 R CA 1.587 57.730 56.100 0.071 0.000 0.959 255 R CB -0.352 29.978 30.300 0.050 0.000 0.856 255 R HN 0.452 nan 8.270 nan 0.000 0.437 256 D N 0.235 120.719 120.400 0.140 0.000 2.178 256 D HA -0.079 4.562 4.640 0.000 0.000 0.202 256 D C 1.777 178.218 176.300 0.234 0.000 0.974 256 D CA 0.948 55.061 54.000 0.188 0.000 0.841 256 D CB 0.017 40.926 40.800 0.181 0.000 0.953 256 D HN 0.205 nan 8.370 nan 0.000 0.478 257 I N 0.136 120.840 120.570 0.224 0.000 2.286 257 I HA -0.163 4.007 4.170 0.000 0.000 0.245 257 I C 2.498 178.774 176.117 0.265 0.000 1.104 257 I CA 0.634 62.078 61.300 0.239 0.000 1.397 257 I CB -0.070 37.991 38.000 0.101 0.000 1.072 257 I HN -0.102 nan 8.210 nan 0.000 0.417 258 R N 0.844 121.491 120.500 0.245 0.000 2.096 258 R HA -0.231 4.109 4.340 0.000 0.000 0.235 258 R C 1.989 178.406 176.300 0.195 0.000 1.127 258 R CA 2.082 58.309 56.100 0.212 0.000 0.968 258 R CB -0.182 30.160 30.300 0.070 0.000 0.861 258 R HN 0.280 nan 8.270 nan 0.000 0.440 259 D N -0.665 119.846 120.400 0.185 0.000 2.103 259 D HA -0.117 4.524 4.640 0.000 0.000 0.199 259 D C 1.777 178.192 176.300 0.191 0.000 0.978 259 D CA 2.117 56.219 54.000 0.170 0.000 0.829 259 D CB -0.125 40.779 40.800 0.174 0.000 0.981 259 D HN 0.359 nan 8.370 nan 0.000 0.464 260 T N -1.984 112.715 114.554 0.241 0.000 2.777 260 T HA -0.112 4.238 4.350 0.000 0.000 0.266 260 T C 2.074 176.855 174.700 0.136 0.000 1.040 260 T CA 0.738 62.977 62.100 0.231 0.000 1.141 260 T CB -0.937 68.126 68.868 0.325 0.000 0.868 260 T HN 0.045 nan 8.240 nan 0.000 0.444 261 F N 2.414 122.333 119.950 -0.051 0.000 2.171 261 F HA 0.209 4.736 4.527 0.001 0.000 0.300 261 F C 2.924 178.725 175.800 0.001 0.000 1.090 261 F CA 0.540 58.458 58.000 -0.137 0.000 1.293 261 F CB -0.916 37.990 39.000 -0.156 0.000 1.013 261 F HN 0.261 nan 8.300 nan 0.000 0.486 262 A N -0.043 122.901 122.820 0.206 0.000 1.933 262 A HA -0.191 4.129 4.320 0.000 0.000 0.218 262 A C 2.175 179.826 177.584 0.113 0.000 1.175 262 A CA 1.461 53.587 52.037 0.148 0.000 0.628 262 A CB -0.614 18.463 19.000 0.129 0.000 0.814 262 A HN 0.333 nan 8.150 nan 0.000 0.444 263 R N -1.017 119.544 120.500 0.103 0.000 2.323 263 R HA 0.203 4.543 4.340 0.000 0.000 0.198 263 R C 0.848 177.185 176.300 0.062 0.000 0.988 263 R CA 0.528 56.670 56.100 0.070 0.000 1.041 263 R CB -0.050 30.292 30.300 0.071 0.000 0.926 263 R HN 0.506 nan 8.270 nan 0.000 0.476 264 M N -0.633 119.027 119.600 0.099 0.000 2.484 264 M HA 0.285 4.765 4.480 0.000 0.000 0.307 264 M C 0.270 176.700 176.300 0.217 0.000 1.149 264 M CA -0.147 55.263 55.300 0.183 0.000 0.972 264 M CB 1.185 33.900 32.600 0.191 0.000 1.400 264 M HN 0.112 nan 8.290 nan 0.000 0.508 265 A N 0.934 123.848 122.820 0.157 0.000 2.925 265 A HA -0.154 4.166 4.320 0.000 0.000 0.265 265 A C 0.011 177.654 177.584 0.098 0.000 1.419 265 A CA 0.841 52.961 52.037 0.138 0.000 0.807 265 A CB -1.531 17.572 19.000 0.172 0.000 1.043 265 A HN 0.483 nan 8.150 nan 0.000 0.600 266 M N 0.676 120.352 119.600 0.126 0.000 2.364 266 M HA 0.389 4.869 4.480 0.000 0.000 0.334 266 M C 0.497 176.899 176.300 0.170 0.000 1.107 266 M CA -0.693 54.696 55.300 0.149 0.000 0.988 266 M CB 1.333 34.081 32.600 0.246 0.000 1.673 266 M HN 0.699 nan 8.290 nan 0.000 0.441 267 N N 1.139 119.926 118.700 0.144 0.000 2.431 267 N HA 0.202 4.942 4.740 0.000 0.000 0.289 267 N C 0.180 175.780 175.510 0.151 0.000 1.277 267 N CA -0.276 52.856 53.050 0.138 0.000 0.972 267 N CB 0.378 38.935 38.487 0.117 0.000 1.143 267 N HN 0.369 nan 8.380 nan 0.000 0.578 268 D N -0.787 119.703 120.400 0.151 0.000 2.117 268 D HA -0.186 4.454 4.640 0.000 0.000 0.197 268 D C 1.403 177.801 176.300 0.164 0.000 0.987 268 D CA 1.350 55.483 54.000 0.223 0.000 0.829 268 D CB -0.227 40.672 40.800 0.165 0.000 0.961 268 D HN 0.827 nan 8.370 nan 0.000 0.460 269 E N 0.630 120.909 120.200 0.131 0.000 2.072 269 E HA -0.179 4.171 4.350 0.000 0.000 0.191 269 E C 1.736 178.482 176.600 0.244 0.000 0.985 269 E CA 0.959 57.452 56.400 0.155 0.000 0.801 269 E CB 0.103 29.905 29.700 0.169 0.000 0.750 269 E HN 0.276 nan 8.360 nan 0.000 0.452 270 E N -0.359 119.957 120.200 0.193 0.000 2.072 270 E HA -0.135 4.215 4.350 0.000 0.000 0.191 270 E C 2.104 178.786 176.600 0.137 0.000 0.985 270 E CA 1.619 58.134 56.400 0.191 0.000 0.801 270 E CB 0.012 29.804 29.700 0.153 0.000 0.750 270 E HN 0.247 nan 8.360 nan 0.000 0.452 271 T N 0.745 115.320 114.554 0.036 0.000 2.674 271 T HA -0.140 4.210 4.350 0.000 0.000 0.265 271 T C 2.102 176.579 174.700 -0.372 0.000 1.039 271 T CA 1.236 63.172 62.100 -0.272 0.000 1.150 271 T CB -0.258 68.362 68.868 -0.413 0.000 0.864 271 T HN -0.026 nan 8.240 nan 0.000 0.427 272 V N 1.876 121.648 119.914 -0.237 0.000 2.287 272 V HA -0.219 3.902 4.120 0.000 0.000 0.248 272 V C 2.895 179.047 176.094 0.097 0.000 1.053 272 V CA 1.832 64.047 62.300 -0.141 0.000 1.027 272 V CB -1.287 30.524 31.823 -0.020 0.000 0.646 272 V HN 0.545 nan 8.190 nan 0.000 0.447 273 A N -0.470 122.554 122.820 0.341 0.000 1.902 273 A HA -0.145 4.175 4.320 0.000 0.000 0.217 273 A C 2.242 179.895 177.584 0.116 0.000 1.181 273 A CA 1.822 54.104 52.037 0.408 0.000 0.623 273 A CB -0.501 18.753 19.000 0.423 0.000 0.818 273 A HN 0.501 nan 8.150 nan 0.000 0.443 274 L N -0.854 120.404 121.223 0.059 0.000 2.027 274 L HA -0.136 4.205 4.340 0.000 0.000 0.206 274 L C 2.491 179.107 176.870 -0.423 0.000 1.074 274 L CA 1.214 56.048 54.840 -0.009 0.000 0.745 274 L CB -0.414 41.692 42.059 0.079 0.000 0.898 274 L HN 0.376 nan 8.230 nan 0.000 0.433 275 I N -0.370 119.870 120.570 -0.550 0.000 2.233 275 I HA -0.223 3.947 4.170 0.000 0.000 0.243 275 I C 2.769 178.217 176.117 -1.116 0.000 1.093 275 I CA 1.120 61.919 61.300 -0.836 0.000 1.380 275 I CB -0.452 37.104 38.000 -0.740 0.000 1.067 275 I HN 0.150 nan 8.210 nan 0.000 0.413 276 A N 0.877 123.083 122.820 -1.022 0.000 1.933 276 A HA -0.121 4.199 4.320 0.000 0.000 0.218 276 A C 2.402 179.363 177.584 -1.038 0.000 1.175 276 A CA 1.925 53.039 52.037 -1.538 0.000 0.628 276 A CB -1.406 16.799 19.000 -1.326 0.000 0.814 276 A HN 0.477 nan 8.150 nan 0.000 0.444 277 G N -0.675 107.620 108.800 -0.842 0.000 2.404 277 G HA2 0.079 4.040 3.960 0.000 0.000 0.215 277 G HA3 0.079 4.040 3.960 0.000 0.000 0.215 277 G C 1.519 175.829 174.900 -0.983 0.000 1.174 277 G CA 1.173 45.424 45.100 -1.415 0.000 0.780 277 G HN 0.673 nan 8.290 nan 0.000 0.537 278 G N -0.208 108.111 108.800 -0.801 0.000 2.402 278 G HA2 -0.143 3.817 3.960 0.000 0.000 0.216 278 G HA3 -0.143 3.817 3.960 0.000 0.000 0.216 278 G C 1.397 176.111 174.900 -0.310 0.000 1.162 278 G CA 0.706 45.611 45.100 -0.325 0.000 0.777 278 G HN 0.649 nan 8.290 nan 0.000 0.539 279 H N -0.169 118.359 119.070 -0.902 0.000 2.543 279 H HA 0.122 4.678 4.556 0.000 0.000 0.269 279 H C 2.001 176.839 175.328 -0.818 0.000 1.005 279 H CA 0.134 55.364 56.048 -1.364 0.000 1.146 279 H CB 0.393 28.905 29.762 -2.083 0.000 1.353 279 H HN 0.225 nan 8.280 nan 0.000 0.595 280 T N 0.355 114.566 114.554 -0.573 0.000 3.035 280 T HA -0.043 4.308 4.350 0.000 0.000 0.268 280 T C 0.053 174.385 174.700 -0.613 0.000 1.109 280 T CA 0.880 62.619 62.100 -0.602 0.000 1.119 280 T CB -0.016 68.324 68.868 -0.881 0.000 0.900 280 T HN 0.096 nan 8.240 nan 0.000 0.503 281 F N 0.009 119.934 119.950 -0.042 0.000 2.522 281 F HA 0.594 5.121 4.527 0.001 0.000 0.324 281 F C 1.161 177.083 175.800 0.204 0.000 1.077 281 F CA -0.516 57.508 58.000 0.041 0.000 0.944 281 F CB 1.489 40.501 39.000 0.020 0.000 1.175 281 F HN 0.209 nan 8.300 nan 0.000 0.468 282 G N 2.322 111.334 108.800 0.353 0.000 2.553 282 G HA2 -0.033 3.928 3.960 0.000 0.000 0.242 282 G HA3 -0.033 3.928 3.960 0.000 0.000 0.242 282 G C -1.174 173.986 174.900 0.434 0.000 1.277 282 G CA -0.122 45.221 45.100 0.405 0.000 0.910 282 G HN 1.076 nan 8.290 nan 0.000 0.576 283 K N -1.754 118.850 120.400 0.338 0.000 2.607 283 K HA 0.702 5.022 4.320 0.000 0.000 0.287 283 K C -0.047 176.434 176.600 -0.199 0.000 0.996 283 K CA -0.149 56.078 56.287 -0.100 0.000 0.876 283 K CB 1.268 33.695 32.500 -0.122 0.000 1.496 283 K HN 1.429 nan 8.250 nan 0.000 0.415 284 T N -1.146 113.147 114.554 -0.435 0.000 2.810 284 T HA 0.424 4.775 4.350 0.000 0.000 0.277 284 T C -0.623 173.761 174.700 -0.526 0.000 0.973 284 T CA -0.259 61.695 62.100 -0.245 0.000 0.949 284 T CB 0.440 69.205 68.868 -0.171 0.000 1.075 284 T HN 0.671 nan 8.240 nan 0.000 0.537 285 H N -1.348 117.710 119.070 -0.021 0.000 2.924 285 H HA 0.613 5.170 4.556 0.001 0.000 0.333 285 H C 0.230 175.533 175.328 -0.041 0.000 0.979 285 H CA -0.579 55.457 56.048 -0.020 0.000 1.326 285 H CB 1.630 31.418 29.762 0.043 0.000 1.600 285 H HN 1.055 nan 8.280 nan 0.000 0.520 286 G N 1.222 110.022 108.800 0.000 0.000 4.379 286 G HA2 0.411 4.371 3.960 0.000 0.000 0.243 286 G HA3 0.411 4.371 3.960 0.000 0.000 0.243 286 G C 0.748 175.579 174.900 -0.115 0.000 1.009 286 G CA 0.081 45.148 45.100 -0.054 0.000 0.646 286 G HN 0.737 nan 8.290 nan 0.000 0.475 287 A N -0.276 122.482 122.820 -0.103 0.000 2.067 287 A HA 0.593 4.913 4.320 0.000 0.000 0.219 287 A C 1.415 178.767 177.584 -0.386 0.000 1.158 287 A CA 1.475 53.441 52.037 -0.118 0.000 0.661 287 A CB 0.119 19.155 19.000 0.059 0.000 0.801 287 A HN 1.415 nan 8.150 nan 0.000 0.452 288 G N -2.270 106.151 108.800 -0.632 0.000 2.645 288 G HA2 0.510 4.470 3.960 0.000 0.000 0.292 288 G HA3 0.510 4.470 3.960 0.000 0.000 0.292 288 G C -3.522 171.077 174.900 -0.502 0.000 1.415 288 G CA -1.218 43.279 45.100 -1.005 0.000 0.785 288 G HN -0.106 nan 8.290 nan 0.000 0.483 289 P HA 0.255 nan 4.420 nan 0.000 0.265 289 P C 0.719 177.952 177.300 -0.112 0.000 1.193 289 P CA 0.447 63.444 63.100 -0.171 0.000 0.765 289 P CB 1.218 32.858 31.700 -0.101 0.000 0.823 290 A N 2.880 125.659 122.820 -0.068 0.000 2.168 290 A HA -0.112 4.209 4.320 0.000 0.000 0.215 290 A C 1.936 179.526 177.584 0.010 0.000 1.152 290 A CA 1.539 53.561 52.037 -0.025 0.000 0.716 290 A CB -1.266 17.723 19.000 -0.017 0.000 0.794 290 A HN 0.579 nan 8.150 nan 0.000 0.465 291 S N 0.259 115.962 115.700 0.005 0.000 2.474 291 S HA -0.105 4.366 4.470 0.000 0.000 0.235 291 S C 1.416 176.042 174.600 0.043 0.000 0.997 291 S CA 0.874 59.089 58.200 0.024 0.000 0.949 291 S CB -0.552 62.658 63.200 0.017 0.000 0.766 291 S HN 0.599 nan 8.310 nan 0.000 0.517 292 N N 1.258 119.987 118.700 0.049 0.000 2.453 292 N HA 0.039 4.779 4.740 0.000 0.000 0.183 292 N C -0.148 175.423 175.510 0.101 0.000 1.041 292 N CA 0.458 53.561 53.050 0.088 0.000 0.900 292 N CB -0.017 38.548 38.487 0.131 0.000 0.961 292 N HN 0.313 nan 8.380 nan 0.000 0.443 293 V N 0.831 120.803 119.914 0.097 0.000 2.407 293 V HA 0.390 4.510 4.120 0.000 0.000 0.278 293 V C 1.108 177.273 176.094 0.119 0.000 1.037 293 V CA -0.711 61.670 62.300 0.135 0.000 0.900 293 V CB 1.184 33.105 31.823 0.164 0.000 0.983 293 V HN 0.083 nan 8.190 nan 0.000 0.459 294 G N 3.053 111.915 108.800 0.103 0.000 2.531 294 G HA2 0.563 4.524 3.960 0.000 0.000 0.253 294 G HA3 0.563 4.524 3.960 0.000 0.000 0.253 294 G C 0.177 175.062 174.900 -0.026 0.000 1.439 294 G CA -0.110 45.012 45.100 0.038 0.000 1.056 294 G HN 1.051 nan 8.290 nan 0.000 0.555 295 A N 0.113 122.869 122.820 -0.106 0.000 2.477 295 A HA 0.428 4.748 4.320 0.000 0.000 0.246 295 A C 0.942 178.235 177.584 -0.485 0.000 1.078 295 A CA -0.196 51.721 52.037 -0.200 0.000 0.770 295 A CB -0.012 18.895 19.000 -0.156 0.000 1.011 295 A HN 0.723 nan 8.150 nan 0.000 0.494 296 E N 3.080 122.890 120.200 -0.651 0.000 2.458 296 E HA -0.036 4.315 4.350 0.000 0.000 0.264 296 E C -2.083 174.006 176.600 -0.852 0.000 1.097 296 E CA -0.708 54.960 56.400 -1.220 0.000 0.973 296 E CB -0.302 28.959 29.700 -0.732 0.000 0.963 296 E HN 0.352 nan 8.360 nan 0.000 0.451 297 P HA -0.171 nan 4.420 nan 0.000 0.216 297 P C 0.994 178.101 177.300 -0.322 0.000 1.153 297 P CA 1.374 64.148 63.100 -0.543 0.000 0.858 297 P CB 0.159 31.570 31.700 -0.481 0.000 0.789 298 E N -1.022 119.022 120.200 -0.260 0.000 2.338 298 E HA -0.046 4.304 4.350 0.000 0.000 0.197 298 E C 1.699 178.233 176.600 -0.110 0.000 1.007 298 E CA 0.982 57.301 56.400 -0.135 0.000 0.849 298 E CB -0.410 29.256 29.700 -0.056 0.000 0.774 298 E HN 0.231 nan 8.360 nan 0.000 0.506 299 A N 0.368 123.098 122.820 -0.150 0.000 2.252 299 A HA 0.443 4.763 4.320 0.000 0.000 0.213 299 A C 1.278 178.787 177.584 -0.124 0.000 1.188 299 A CA 0.408 52.380 52.037 -0.108 0.000 0.863 299 A CB 0.240 19.186 19.000 -0.089 0.000 0.893 299 A HN 0.155 nan 8.150 nan 0.000 0.495 300 A N 0.027 122.742 122.820 -0.174 0.000 2.327 300 A HA 0.545 4.866 4.320 0.000 0.000 0.255 300 A C 0.938 178.455 177.584 -0.112 0.000 1.099 300 A CA 0.210 52.153 52.037 -0.157 0.000 0.801 300 A CB -0.420 18.456 19.000 -0.206 0.000 1.062 300 A HN 0.813 nan 8.150 nan 0.000 0.496 301 G N -1.062 107.683 108.800 -0.091 0.000 2.539 301 G HA2 0.389 4.349 3.960 0.000 0.000 0.258 301 G HA3 0.389 4.349 3.960 0.000 0.000 0.258 301 G C 0.834 175.689 174.900 -0.075 0.000 1.202 301 G CA -0.188 44.869 45.100 -0.071 0.000 0.851 301 G HN 0.785 nan 8.290 nan 0.000 0.556 302 I N 0.281 120.813 120.570 -0.063 0.000 2.315 302 I HA -0.215 3.955 4.170 0.000 0.000 0.251 302 I C 2.852 178.928 176.117 -0.069 0.000 1.125 302 I CA 1.844 63.105 61.300 -0.064 0.000 1.392 302 I CB 0.114 38.084 38.000 -0.050 0.000 1.065 302 I HN 0.756 nan 8.210 nan 0.000 0.424 303 E N 1.234 121.397 120.200 -0.061 0.000 2.268 303 E HA -0.186 4.165 4.350 0.000 0.000 0.195 303 E C 1.872 178.427 176.600 -0.075 0.000 0.995 303 E CA 1.232 57.596 56.400 -0.060 0.000 0.836 303 E CB -0.423 29.250 29.700 -0.045 0.000 0.763 303 E HN 0.532 nan 8.360 nan 0.000 0.491 304 A N 0.915 123.684 122.820 -0.086 0.000 2.119 304 A HA -0.102 4.218 4.320 0.000 0.000 0.217 304 A C 0.851 178.357 177.584 -0.131 0.000 1.153 304 A CA 0.631 52.606 52.037 -0.104 0.000 0.692 304 A CB -0.206 18.725 19.000 -0.115 0.000 0.799 304 A HN 0.189 nan 8.150 nan 0.000 0.458 305 Q N -2.370 117.354 119.800 -0.126 0.000 2.452 305 Q HA -0.248 4.092 4.340 0.000 0.000 0.318 305 Q C 0.922 176.820 176.000 -0.170 0.000 1.386 305 Q CA 1.267 56.984 55.803 -0.142 0.000 0.872 305 Q CB -2.317 26.333 28.738 -0.147 0.000 1.151 305 Q HN 1.751 nan 8.270 nan 0.000 0.417 306 G N -1.634 107.065 108.800 -0.167 0.000 2.195 306 G HA2 -0.296 3.664 3.960 0.000 0.000 0.246 306 G HA3 -0.296 3.664 3.960 0.000 0.000 0.246 306 G C 0.259 175.038 174.900 -0.201 0.000 0.984 306 G CA 0.300 45.288 45.100 -0.186 0.000 0.633 306 G HN 0.321 nan 8.290 nan 0.000 0.525 307 L N 0.038 121.147 121.223 -0.191 0.000 2.400 307 L HA 0.816 5.156 4.340 0.000 0.000 0.264 307 L C 1.041 177.779 176.870 -0.220 0.000 1.061 307 L CA -0.308 54.425 54.840 -0.178 0.000 0.799 307 L CB 1.439 43.407 42.059 -0.151 0.000 1.240 307 L HN 0.354 nan 8.230 nan 0.000 0.461 308 G N -2.459 106.213 108.800 -0.213 0.000 2.663 308 G HA2 0.386 4.346 3.960 0.000 0.000 0.299 308 G HA3 0.386 4.346 3.960 0.000 0.000 0.299 308 G C -1.490 173.359 174.900 -0.085 0.000 1.372 308 G CA -0.504 44.362 45.100 -0.390 0.000 0.781 308 G HN 0.696 nan 8.290 nan 0.000 0.491 309 W N -0.061 121.193 121.300 -0.076 0.000 5.121 309 W HA -0.170 4.490 4.660 0.001 0.000 0.372 309 W C 0.765 177.280 176.519 -0.007 0.000 1.394 309 W CA 0.814 58.129 57.345 -0.049 0.000 0.885 309 W CB -1.147 28.270 29.460 -0.072 0.000 2.520 309 W HN 0.654 nan 8.180 nan 0.000 1.455 310 K N 1.725 122.201 120.400 0.126 0.000 2.472 310 K HA 0.190 4.510 4.320 0.000 0.000 0.280 310 K C 0.537 177.223 176.600 0.144 0.000 1.028 310 K CA 0.580 56.941 56.287 0.124 0.000 1.045 310 K CB 0.681 33.216 32.500 0.058 0.000 0.902 310 K HN -0.017 nan 8.250 nan 0.000 0.478 311 S N 3.085 118.889 115.700 0.174 0.000 2.454 311 S HA 0.462 4.933 4.470 0.000 0.000 0.306 311 S C 0.367 175.051 174.600 0.140 0.000 1.100 311 S CA -0.464 57.838 58.200 0.170 0.000 1.087 311 S CB 1.538 64.865 63.200 0.212 0.000 1.019 311 S HN 0.675 nan 8.310 nan 0.000 0.480 312 A N 4.267 127.162 122.820 0.125 0.000 2.278 312 A HA 0.211 4.531 4.320 0.000 0.000 0.212 312 A C 0.151 177.805 177.584 0.117 0.000 1.213 312 A CA -0.037 52.057 52.037 0.096 0.000 0.840 312 A CB -0.463 18.582 19.000 0.074 0.000 0.866 312 A HN 0.852 nan 8.150 nan 0.000 0.489 313 Y N 2.061 122.378 120.300 0.028 0.000 2.436 313 Y HA 0.354 4.904 4.550 0.000 0.000 0.343 313 Y C 1.051 176.948 175.900 -0.005 0.000 1.008 313 Y CA -0.513 57.593 58.100 0.010 0.000 1.241 313 Y CB -0.161 38.306 38.460 0.011 0.000 1.153 313 Y HN 0.559 nan 8.280 nan 0.000 0.521 314 R N 0.596 120.766 120.500 -0.551 0.000 3.682 314 R HA -0.347 3.993 4.340 0.000 0.000 0.519 314 R C 1.583 177.761 176.300 -0.205 0.000 0.241 314 R CA 2.531 58.362 56.100 -0.449 0.000 1.619 314 R CB -1.720 28.189 30.300 -0.651 0.000 0.923 314 R HN 0.791 nan 8.270 nan 0.000 0.598 315 T N -0.938 113.510 114.554 -0.178 0.000 3.072 315 T HA 0.160 4.511 4.350 0.000 0.000 0.266 315 T C 1.440 176.117 174.700 -0.039 0.000 1.127 315 T CA 1.321 63.358 62.100 -0.106 0.000 1.107 315 T CB 0.130 68.915 68.868 -0.139 0.000 0.910 315 T HN 1.230 nan 8.240 nan 0.000 0.513 316 G N 1.853 110.649 108.800 -0.006 0.000 2.159 316 G HA2 -0.251 3.709 3.960 0.000 0.000 0.256 316 G HA3 -0.251 3.709 3.960 0.000 0.000 0.256 316 G C -0.041 174.924 174.900 0.108 0.000 0.977 316 G CA 0.599 45.758 45.100 0.098 0.000 0.652 316 G HN 1.034 nan 8.290 nan 0.000 0.531 317 K N -2.278 118.067 120.400 -0.091 0.000 2.614 317 K HA 0.637 4.957 4.320 0.000 0.000 0.293 317 K C 1.083 177.351 176.600 -0.554 0.000 1.045 317 K CA -0.050 55.981 56.287 -0.427 0.000 0.880 317 K CB 0.906 33.207 32.500 -0.332 0.000 1.552 317 K HN 1.755 nan 8.250 nan 0.000 0.404 318 G N 0.694 109.006 108.800 -0.814 0.000 2.629 318 G HA2 -0.436 3.524 3.960 0.000 0.000 0.313 318 G HA3 -0.436 3.524 3.960 0.000 0.000 0.313 318 G C 1.067 175.494 174.900 -0.788 0.000 1.217 318 G CA 1.775 46.334 45.100 -0.901 0.000 0.994 318 G HN 1.334 nan 8.290 nan 0.000 0.549 319 A N -0.662 121.472 122.820 -1.144 0.000 2.070 319 A HA 0.139 4.459 4.320 0.000 0.000 0.220 319 A C 1.725 179.203 177.584 -0.177 0.000 1.159 319 A CA 2.407 54.166 52.037 -0.464 0.000 0.656 319 A CB -0.264 18.508 19.000 -0.380 0.000 0.800 319 A HN 0.595 nan 8.150 nan 0.000 0.453 320 D N -0.126 120.161 120.400 -0.190 0.000 2.363 320 D HA 0.332 4.973 4.640 0.000 0.000 0.214 320 D C 0.625 176.973 176.300 0.081 0.000 1.093 320 D CA 0.507 54.527 54.000 0.032 0.000 0.837 320 D CB -0.029 40.770 40.800 -0.001 0.000 0.948 320 D HN 0.404 nan 8.370 nan 0.000 0.507 321 A N 0.975 123.775 122.820 -0.032 0.000 2.540 321 A HA 0.277 4.597 4.320 0.000 0.000 0.239 321 A C 0.232 177.897 177.584 0.135 0.000 1.061 321 A CA 0.332 52.378 52.037 0.014 0.000 0.758 321 A CB 0.040 18.966 19.000 -0.123 0.000 0.991 321 A HN 0.181 nan 8.150 nan 0.000 0.502 322 I N 2.371 123.036 120.570 0.159 0.000 2.466 322 I HA 0.356 4.526 4.170 0.000 0.000 0.289 322 I C 0.658 176.834 176.117 0.097 0.000 1.026 322 I CA -0.200 61.164 61.300 0.106 0.000 1.078 322 I CB 2.392 40.416 38.000 0.040 0.000 1.249 322 I HN 0.777 nan 8.210 nan 0.000 0.429 323 T N 0.858 115.455 114.554 0.071 0.000 3.330 323 T HA -0.003 4.347 4.350 0.000 0.000 0.240 323 T C 1.506 176.165 174.700 -0.070 0.000 0.988 323 T CA 0.879 62.961 62.100 -0.031 0.000 1.253 323 T CB 0.222 69.099 68.868 0.016 0.000 1.163 323 T HN 0.696 nan 8.240 nan 0.000 0.382 324 T N -0.981 113.576 114.554 0.006 0.000 3.044 324 T HA 0.445 4.795 4.350 0.000 0.000 0.250 324 T C 1.800 176.498 174.700 -0.003 0.000 1.081 324 T CA 0.991 63.091 62.100 0.001 0.000 1.040 324 T CB 0.265 69.165 68.868 0.053 0.000 0.962 324 T HN 0.673 nan 8.240 nan 0.000 0.506 325 G N 1.152 109.947 108.800 -0.008 0.000 2.195 325 G HA2 -0.200 3.761 3.960 0.000 0.000 0.246 325 G HA3 -0.200 3.761 3.960 0.000 0.000 0.246 325 G C -0.128 174.744 174.900 -0.046 0.000 0.984 325 G CA 0.076 45.154 45.100 -0.037 0.000 0.633 325 G HN 0.594 nan 8.290 nan 0.000 0.525 326 L N 0.235 121.443 121.223 -0.025 0.000 2.399 326 L HA 0.721 5.061 4.340 0.000 0.000 0.266 326 L C 0.453 177.262 176.870 -0.102 0.000 1.114 326 L CA -0.537 54.273 54.840 -0.050 0.000 0.804 326 L CB 1.560 43.611 42.059 -0.014 0.000 1.146 326 L HN 0.138 nan 8.230 nan 0.000 0.451 327 E N 1.851 121.964 120.200 -0.145 0.000 2.873 327 E HA 0.436 4.786 4.350 0.000 0.000 0.232 327 E C -1.760 174.679 176.600 -0.268 0.000 1.123 327 E CA -0.169 56.106 56.400 -0.208 0.000 0.809 327 E CB 0.908 30.502 29.700 -0.178 0.000 1.366 327 E HN 0.227 nan 8.360 nan 0.000 0.400 328 V N 2.473 122.154 119.914 -0.389 0.000 2.656 328 V HA 0.599 4.719 4.120 0.000 0.000 0.307 328 V C -0.322 175.313 176.094 -0.765 0.000 1.051 328 V CA -0.694 61.281 62.300 -0.542 0.000 0.893 328 V CB 2.338 33.778 31.823 -0.638 0.000 0.999 328 V HN 0.532 nan 8.190 nan 0.000 0.426 329 T N 4.212 118.412 114.554 -0.589 0.000 2.840 329 T HA 0.311 4.661 4.350 0.000 0.000 0.287 329 T C 0.434 174.942 174.700 -0.321 0.000 0.991 329 T CA -0.403 61.429 62.100 -0.446 0.000 0.964 329 T CB 1.009 69.804 68.868 -0.121 0.000 0.954 329 T HN 0.719 nan 8.240 nan 0.000 0.438 330 W N 2.543 123.833 121.300 -0.015 0.000 2.481 330 W HA 0.031 4.691 4.660 0.000 0.000 0.293 330 W C 1.379 177.883 176.519 -0.025 0.000 1.201 330 W CA 0.482 57.822 57.345 -0.007 0.000 1.328 330 W CB -0.375 29.143 29.460 0.097 0.000 1.112 330 W HN 0.587 nan 8.180 nan 0.000 0.546 331 T N -3.458 111.200 114.554 0.173 0.000 2.926 331 T HA 0.290 4.640 4.350 0.000 0.000 0.289 331 T C 0.978 175.665 174.700 -0.022 0.000 1.054 331 T CA 0.055 62.182 62.100 0.044 0.000 1.015 331 T CB 2.168 71.009 68.868 -0.044 0.000 1.167 331 T HN -0.047 nan 8.240 nan 0.000 0.526 332 T N -1.877 112.655 114.554 -0.037 0.000 3.085 332 T HA 0.111 4.462 4.350 0.000 0.000 0.263 332 T C 0.978 175.619 174.700 -0.097 0.000 1.127 332 T CA 0.813 62.886 62.100 -0.045 0.000 1.103 332 T CB -0.777 68.076 68.868 -0.025 0.000 0.921 332 T HN 1.025 nan 8.240 nan 0.000 0.510 333 T N -1.036 113.432 114.554 -0.143 0.000 3.418 333 T HA 0.478 4.828 4.350 0.000 0.000 0.315 333 T C -2.639 171.916 174.700 -0.243 0.000 1.447 333 T CA -1.431 60.560 62.100 -0.180 0.000 1.641 333 T CB 1.398 70.191 68.868 -0.126 0.000 0.904 333 T HN -0.087 nan 8.240 nan 0.000 0.640 334 P HA -0.023 nan 4.420 nan 0.000 0.228 334 P C 1.288 178.454 177.300 -0.224 0.000 1.151 334 P CA 0.918 63.798 63.100 -0.366 0.000 0.770 334 P CB -0.092 31.137 31.700 -0.785 0.000 0.786 335 T N -5.017 109.393 114.554 -0.240 0.000 3.215 335 T HA 0.291 4.642 4.350 0.000 0.000 0.271 335 T C 0.229 174.931 174.700 0.002 0.000 1.012 335 T CA -0.361 61.654 62.100 -0.141 0.000 0.899 335 T CB -0.418 68.319 68.868 -0.218 0.000 1.089 335 T HN 0.051 nan 8.240 nan 0.000 0.552 336 Q N 0.497 120.334 119.800 0.062 0.000 2.315 336 Q HA 0.290 4.630 4.340 0.000 0.000 0.273 336 Q C -1.267 174.800 176.000 0.111 0.000 1.053 336 Q CA -0.929 54.960 55.803 0.143 0.000 0.817 336 Q CB 1.995 30.764 28.738 0.053 0.000 1.326 336 Q HN 0.553 nan 8.270 nan 0.000 0.423 337 W N 3.412 124.794 121.300 0.138 0.000 2.257 337 W HA 0.188 4.848 4.660 0.000 0.000 0.337 337 W C -0.584 175.914 176.519 -0.034 0.000 1.321 337 W CA 1.148 58.499 57.345 0.010 0.000 1.267 337 W CB 0.717 30.352 29.460 0.292 0.000 1.187 337 W HN 0.798 nan 8.180 nan 0.000 0.565 338 S N 3.515 118.598 115.700 -1.028 0.000 2.672 338 S HA 0.248 4.718 4.470 0.000 0.000 0.271 338 S C -0.115 174.020 174.600 -0.774 0.000 1.171 338 S CA -0.782 56.988 58.200 -0.716 0.000 0.817 338 S CB 1.519 64.455 63.200 -0.440 0.000 1.150 338 S HN 0.675 nan 8.310 nan 0.000 0.478 339 H N 0.103 118.981 119.070 -0.320 0.000 2.472 339 H HA 0.421 4.977 4.556 0.000 0.000 0.287 339 H C 0.553 175.897 175.328 0.026 0.000 1.112 339 H CA -0.408 55.601 56.048 -0.066 0.000 1.021 339 H CB -0.709 29.128 29.762 0.125 0.000 1.635 339 H HN 0.693 nan 8.280 nan 0.000 0.559 340 N N 0.652 119.224 118.700 -0.213 0.000 2.396 340 N HA -0.123 4.617 4.740 0.000 0.000 0.180 340 N C 1.248 176.750 175.510 -0.013 0.000 1.028 340 N CA 0.117 53.099 53.050 -0.113 0.000 0.893 340 N CB -0.059 38.340 38.487 -0.147 0.000 0.967 340 N HN 0.275 nan 8.380 nan 0.000 0.440 341 F N 0.798 120.623 119.950 -0.209 0.000 2.102 341 F HA -0.104 4.423 4.527 0.000 0.000 0.298 341 F C 1.623 177.264 175.800 -0.266 0.000 1.105 341 F CA 1.547 59.368 58.000 -0.297 0.000 1.239 341 F CB -0.469 38.186 39.000 -0.576 0.000 0.991 341 F HN -0.044 nan 8.300 nan 0.000 0.474 342 F N 0.715 120.737 119.950 0.120 0.000 2.206 342 F HA -0.108 4.419 4.527 0.000 0.000 0.298 342 F C 2.351 178.169 175.800 0.031 0.000 1.090 342 F CA 1.150 59.185 58.000 0.058 0.000 1.323 342 F CB -0.508 38.642 39.000 0.249 0.000 1.028 342 F HN -0.018 nan 8.300 nan 0.000 0.492 343 E N 0.430 120.827 120.200 0.329 0.000 2.070 343 E HA -0.238 4.112 4.350 0.000 0.000 0.197 343 E C 1.810 178.463 176.600 0.088 0.000 1.004 343 E CA 1.490 58.036 56.400 0.244 0.000 0.805 343 E CB -0.306 29.503 29.700 0.182 0.000 0.744 343 E HN 0.375 nan 8.360 nan 0.000 0.451 344 N N 0.853 119.606 118.700 0.088 0.000 2.084 344 N HA -0.146 4.594 4.740 0.000 0.000 0.190 344 N C 1.869 177.577 175.510 0.329 0.000 1.030 344 N CA 0.638 53.840 53.050 0.255 0.000 0.849 344 N CB -0.442 38.219 38.487 0.289 0.000 1.012 344 N HN 0.069 nan 8.380 nan 0.000 0.423 345 L N -0.181 121.012 121.223 -0.050 0.000 2.042 345 L HA -0.032 4.309 4.340 0.000 0.000 0.210 345 L C 1.646 178.458 176.870 -0.098 0.000 1.076 345 L CA 1.632 56.334 54.840 -0.230 0.000 0.749 345 L CB -0.515 41.113 42.059 -0.719 0.000 0.893 345 L HN 0.076 nan 8.230 nan 0.000 0.432 346 F N -1.537 118.375 119.950 -0.063 0.000 2.619 346 F HA 0.185 4.712 4.527 0.000 0.000 0.293 346 F C 2.226 177.959 175.800 -0.111 0.000 1.119 346 F CA 0.453 58.364 58.000 -0.149 0.000 1.445 346 F CB -0.282 38.470 39.000 -0.413 0.000 1.119 346 F HN 0.144 nan 8.300 nan 0.000 0.573 347 G N -1.213 107.594 108.800 0.013 0.000 2.623 347 G HA2 -0.018 3.943 3.960 0.000 0.000 0.214 347 G HA3 -0.018 3.943 3.960 0.000 0.000 0.214 347 G C -0.131 174.496 174.900 -0.455 0.000 1.138 347 G CA 0.326 45.284 45.100 -0.237 0.000 0.794 347 G HN 0.240 nan 8.290 nan 0.000 0.535 348 Y N -0.396 119.837 120.300 -0.112 0.000 2.602 348 Y HA 0.518 5.069 4.550 0.000 0.000 0.342 348 Y C 0.051 175.672 175.900 -0.466 0.000 1.029 348 Y CA -1.330 56.530 58.100 -0.400 0.000 1.080 348 Y CB 1.484 39.434 38.460 -0.849 0.000 1.284 348 Y HN -0.157 nan 8.280 nan 0.000 0.485 349 E N 0.724 120.769 120.200 -0.257 0.000 2.248 349 E HA 0.198 4.549 4.350 0.000 0.000 0.272 349 E C -1.640 174.717 176.600 -0.404 0.000 1.008 349 E CA -0.506 55.791 56.400 -0.172 0.000 0.856 349 E CB 1.573 31.276 29.700 0.006 0.000 1.120 349 E HN 0.562 nan 8.360 nan 0.000 0.397 350 W N 0.725 122.132 121.300 0.179 0.000 2.702 350 W HA 0.313 4.974 4.660 0.000 0.000 0.331 350 W C 0.152 176.916 176.519 0.408 0.000 1.049 350 W CA -0.665 56.827 57.345 0.244 0.000 1.230 350 W CB 1.381 30.946 29.460 0.175 0.000 1.408 350 W HN 0.407 nan 8.180 nan 0.000 0.492 351 E N 2.704 123.243 120.200 0.565 0.000 2.176 351 E HA 0.387 4.737 4.350 0.000 0.000 0.267 351 E C -1.234 175.391 176.600 0.041 0.000 0.893 351 E CA -1.091 55.487 56.400 0.295 0.000 0.761 351 E CB 1.256 31.020 29.700 0.106 0.000 1.133 351 E HN 0.461 nan 8.360 nan 0.000 0.409 352 L N 4.492 125.466 121.223 -0.415 0.000 2.534 352 L HA 0.228 4.569 4.340 0.000 0.000 0.271 352 L C -0.193 176.421 176.870 -0.426 0.000 1.178 352 L CA 1.194 55.460 54.840 -0.956 0.000 0.907 352 L CB 0.726 42.183 42.059 -1.003 0.000 1.164 352 L HN 0.720 nan 8.230 nan 0.000 0.482 353 T N 4.496 118.835 114.554 -0.359 0.000 2.626 353 T HA 0.590 4.940 4.350 0.000 0.000 0.279 353 T C -1.094 173.529 174.700 -0.129 0.000 0.983 353 T CA -0.721 61.278 62.100 -0.170 0.000 1.059 353 T CB 1.046 69.855 68.868 -0.097 0.000 1.396 353 T HN 0.609 nan 8.240 nan 0.000 0.519 354 K N 1.234 121.576 120.400 -0.097 0.000 2.426 354 K HA 0.549 4.869 4.320 0.000 0.000 0.251 354 K C -0.575 175.969 176.600 -0.095 0.000 0.941 354 K CA -0.807 55.417 56.287 -0.104 0.000 0.808 354 K CB 2.077 34.509 32.500 -0.113 0.000 1.265 354 K HN 0.775 nan 8.250 nan 0.000 0.432 355 S N 0.718 116.357 115.700 -0.102 0.000 2.645 355 S HA 0.239 4.709 4.470 0.000 0.000 0.266 355 S C -1.860 172.676 174.600 -0.105 0.000 1.258 355 S CA -0.986 57.153 58.200 -0.101 0.000 0.990 355 S CB 0.878 64.016 63.200 -0.103 0.000 0.967 355 S HN 0.309 nan 8.310 nan 0.000 0.556 356 P HA -0.044 nan 4.420 nan 0.000 0.219 356 P C 0.903 178.118 177.300 -0.141 0.000 1.144 356 P CA 1.680 64.709 63.100 -0.119 0.000 0.806 356 P CB -0.169 31.449 31.700 -0.137 0.000 0.771 357 A N -1.770 120.966 122.820 -0.140 0.000 2.308 357 A HA 0.509 4.830 4.320 0.000 0.000 0.217 357 A C 1.668 179.183 177.584 -0.116 0.000 1.216 357 A CA 0.690 52.648 52.037 -0.132 0.000 0.864 357 A CB -0.762 18.165 19.000 -0.122 0.000 0.902 357 A HN 0.234 nan 8.150 nan 0.000 0.499 358 G N -1.737 106.988 108.800 -0.124 0.000 2.175 358 G HA2 0.090 4.051 3.960 0.000 0.000 0.244 358 G HA3 0.090 4.051 3.960 0.000 0.000 0.244 358 G C 0.480 175.253 174.900 -0.212 0.000 0.982 358 G CA 0.181 45.191 45.100 -0.149 0.000 0.641 358 G HN 1.564 nan 8.290 nan 0.000 0.527 359 A N 1.041 123.759 122.820 -0.170 0.000 2.425 359 A HA 0.569 4.889 4.320 0.000 0.000 0.249 359 A C 0.583 178.057 177.584 -0.183 0.000 1.084 359 A CA -0.264 51.668 52.037 -0.174 0.000 0.781 359 A CB 0.081 19.037 19.000 -0.074 0.000 1.019 359 A HN 0.450 nan 8.150 nan 0.000 0.490 360 H N 1.578 120.614 119.070 -0.058 0.000 2.848 360 H HA 0.297 4.853 4.556 0.000 0.000 0.341 360 H C 0.490 175.770 175.328 -0.079 0.000 1.060 360 H CA 0.997 56.980 56.048 -0.109 0.000 1.444 360 H CB 0.557 30.263 29.762 -0.092 0.000 1.446 360 H HN 0.803 nan 8.280 nan 0.000 0.583 361 Q N 1.487 121.260 119.800 -0.046 0.000 2.832 361 Q HA 0.427 4.767 4.340 0.000 0.000 0.322 361 Q C -1.725 174.184 176.000 -0.151 0.000 0.842 361 Q CA -1.089 54.732 55.803 0.030 0.000 0.780 361 Q CB 1.695 30.457 28.738 0.040 0.000 1.411 361 Q HN 0.406 nan 8.270 nan 0.000 0.490 362 W N 0.224 121.545 121.300 0.034 0.000 2.936 362 W HA 0.762 5.423 4.660 0.000 0.000 0.338 362 W C -1.139 175.502 176.519 0.203 0.000 1.121 362 W CA -0.766 56.649 57.345 0.117 0.000 1.209 362 W CB 2.111 31.644 29.460 0.121 0.000 1.420 362 W HN 0.534 nan 8.180 nan 0.000 0.516 363 V N 2.000 122.205 119.914 0.484 0.000 2.876 363 V HA 0.859 4.979 4.120 0.000 0.000 0.312 363 V C -0.641 175.547 176.094 0.156 0.000 1.085 363 V CA -1.180 61.309 62.300 0.314 0.000 0.945 363 V CB 1.688 33.565 31.823 0.091 0.000 1.017 363 V HN 0.748 nan 8.190 nan 0.000 0.428 364 A N 5.216 127.882 122.820 -0.256 0.000 2.454 364 A HA 0.446 4.766 4.320 0.000 0.000 0.260 364 A C 0.195 177.508 177.584 -0.451 0.000 1.106 364 A CA -0.128 51.397 52.037 -0.854 0.000 0.780 364 A CB -0.154 17.942 19.000 -1.506 0.000 1.044 364 A HN 0.843 nan 8.150 nan 0.000 0.498 365 K N 1.584 121.784 120.400 -0.334 0.000 2.368 365 K HA 0.353 4.673 4.320 0.000 0.000 0.282 365 K C 1.169 177.696 176.600 -0.122 0.000 1.035 365 K CA 0.921 57.117 56.287 -0.151 0.000 0.973 365 K CB 0.491 32.942 32.500 -0.081 0.000 0.957 365 K HN 1.326 nan 8.250 nan 0.000 0.474 366 G N 1.559 110.309 108.800 -0.084 0.000 2.203 366 G HA2 -0.323 3.637 3.960 0.000 0.000 0.263 366 G HA3 -0.323 3.637 3.960 0.000 0.000 0.263 366 G C 0.148 175.021 174.900 -0.046 0.000 1.012 366 G CA 0.386 45.457 45.100 -0.049 0.000 0.749 366 G HN 0.784 nan 8.290 nan 0.000 0.512 367 A N -0.309 122.435 122.820 -0.127 0.000 2.316 367 A HA 0.604 4.924 4.320 0.000 0.000 0.284 367 A C 0.429 177.968 177.584 -0.075 0.000 1.115 367 A CA -0.243 51.711 52.037 -0.137 0.000 0.812 367 A CB 0.579 19.283 19.000 -0.492 0.000 1.064 367 A HN 0.263 nan 8.150 nan 0.000 0.489 368 D N 0.723 121.114 120.400 -0.015 0.000 2.360 368 D HA 0.370 5.010 4.640 0.000 0.000 0.242 368 D C 0.424 176.703 176.300 -0.035 0.000 1.184 368 D CA 0.642 54.632 54.000 -0.016 0.000 0.930 368 D CB 0.870 41.676 40.800 0.011 0.000 1.161 368 D HN 0.614 nan 8.370 nan 0.000 0.447 369 A N 1.063 123.862 122.820 -0.036 0.000 2.544 369 A HA 0.309 4.629 4.320 0.000 0.000 0.301 369 A C 0.976 178.546 177.584 -0.023 0.000 1.368 369 A CA -0.437 51.575 52.037 -0.041 0.000 1.045 369 A CB -0.533 18.422 19.000 -0.074 0.000 1.129 369 A HN 0.394 nan 8.150 nan 0.000 0.540 370 V N 0.715 120.628 119.914 -0.002 0.000 3.556 370 V HA 0.354 4.474 4.120 0.000 0.000 0.287 370 V C 0.261 176.371 176.094 0.026 0.000 1.422 370 V CA -0.120 62.189 62.300 0.015 0.000 1.038 370 V CB -0.361 31.485 31.823 0.038 0.000 0.850 370 V HN 0.541 nan 8.190 nan 0.000 0.437 371 I N 4.388 124.985 120.570 0.045 0.000 2.342 371 I HA 0.460 4.630 4.170 0.000 0.000 0.291 371 I C -2.356 173.838 176.117 0.128 0.000 1.010 371 I CA -2.419 58.926 61.300 0.075 0.000 1.308 371 I CB 1.180 39.233 38.000 0.089 0.000 1.400 371 I HN 0.127 nan 8.210 nan 0.000 0.488 372 P HA 0.090 nan 4.420 nan 0.000 0.271 372 P C -0.575 176.943 177.300 0.363 0.000 1.218 372 P CA -0.210 63.008 63.100 0.197 0.000 0.780 372 P CB 1.031 32.833 31.700 0.171 0.000 0.901 373 D N 0.882 121.443 120.400 0.268 0.000 2.341 373 D HA 0.291 4.931 4.640 0.000 0.000 0.245 373 D C 1.325 177.594 176.300 -0.050 0.000 1.106 373 D CA -0.317 53.817 54.000 0.224 0.000 0.905 373 D CB 0.749 41.663 40.800 0.189 0.000 1.202 373 D HN 0.291 nan 8.370 nan 0.000 0.426 374 A N 2.399 124.956 122.820 -0.439 0.000 2.066 374 A HA 0.004 4.324 4.320 0.000 0.000 0.218 374 A C 1.155 178.064 177.584 -1.124 0.000 1.157 374 A CA 0.933 52.171 52.037 -1.331 0.000 0.670 374 A CB -0.350 17.874 19.000 -1.294 0.000 0.804 374 A HN 0.647 nan 8.150 nan 0.000 0.453 375 F N -1.869 117.930 119.950 -0.251 0.000 2.856 375 F HA 0.238 4.765 4.527 0.000 0.000 0.338 375 F C 0.052 175.803 175.800 -0.083 0.000 1.005 375 F CA -0.481 57.422 58.000 -0.162 0.000 1.155 375 F CB 0.795 39.697 39.000 -0.164 0.000 1.010 375 F HN 0.046 nan 8.300 nan 0.000 0.587 376 D N 2.256 122.710 120.400 0.089 0.000 2.441 376 D HA 0.261 4.902 4.640 0.000 0.000 0.231 376 D C -2.007 174.312 176.300 0.031 0.000 1.073 376 D CA -2.569 51.466 54.000 0.058 0.000 0.850 376 D CB 1.680 42.515 40.800 0.057 0.000 1.062 376 D HN -0.096 nan 8.370 nan 0.000 0.524 377 P HA -0.076 nan 4.420 nan 0.000 0.236 377 P C 0.808 178.111 177.300 0.006 0.000 1.172 377 P CA 0.565 63.675 63.100 0.017 0.000 0.759 377 P CB 0.216 31.924 31.700 0.015 0.000 0.843 378 S N -2.193 113.505 115.700 -0.003 0.000 2.523 378 S HA 0.159 4.630 4.470 0.000 0.000 0.217 378 S C 0.645 175.219 174.600 -0.042 0.000 0.996 378 S CA -0.387 57.802 58.200 -0.017 0.000 0.921 378 S CB -0.166 63.026 63.200 -0.014 0.000 0.829 378 S HN 0.013 nan 8.310 nan 0.000 0.495 379 K N 1.403 121.771 120.400 -0.054 0.000 2.221 379 K HA 0.538 4.858 4.320 0.000 0.000 0.258 379 K C -0.708 175.773 176.600 -0.199 0.000 0.944 379 K CA -0.607 55.598 56.287 -0.138 0.000 0.823 379 K CB 1.788 34.210 32.500 -0.131 0.000 1.113 379 K HN 0.112 nan 8.250 nan 0.000 0.431 380 K N 1.448 121.670 120.400 -0.298 0.000 2.352 380 K HA 0.483 4.804 4.320 0.000 0.000 0.240 380 K C -0.588 175.690 176.600 -0.537 0.000 1.017 380 K CA -0.950 55.173 56.287 -0.273 0.000 0.851 380 K CB 1.745 34.181 32.500 -0.107 0.000 1.261 380 K HN 0.561 nan 8.250 nan 0.000 0.451 381 H N 0.542 119.605 119.070 -0.010 0.000 2.946 381 H HA 0.321 4.878 4.556 0.000 0.000 0.365 381 H C -0.483 174.816 175.328 -0.048 0.000 1.197 381 H CA -0.839 55.192 56.048 -0.029 0.000 1.131 381 H CB 1.647 31.392 29.762 -0.029 0.000 1.849 381 H HN 0.316 nan 8.280 nan 0.000 0.555 382 R N 1.141 121.679 120.500 0.063 0.000 2.594 382 R HA 0.200 4.541 4.340 0.000 0.000 0.272 382 R C -2.302 173.971 176.300 -0.045 0.000 1.074 382 R CA -1.488 54.584 56.100 -0.048 0.000 1.105 382 R CB -0.033 30.213 30.300 -0.090 0.000 1.008 382 R HN 0.270 nan 8.270 nan 0.000 0.472 383 P HA -0.062 nan 4.420 nan 0.000 0.264 383 P C -0.760 176.613 177.300 0.121 0.000 1.183 383 P CA 0.504 63.587 63.100 -0.028 0.000 0.763 383 P CB 0.626 32.230 31.700 -0.161 0.000 0.807 384 T N 0.351 114.986 114.554 0.135 0.000 2.906 384 T HA 0.832 5.182 4.350 0.000 0.000 0.295 384 T C -0.570 174.103 174.700 -0.046 0.000 1.075 384 T CA -0.870 61.307 62.100 0.129 0.000 1.005 384 T CB 1.294 70.130 68.868 -0.053 0.000 1.136 384 T HN 0.106 nan 8.240 nan 0.000 0.498 385 M N 1.613 121.162 119.600 -0.086 0.000 2.575 385 M HA 0.476 4.956 4.480 0.000 0.000 0.284 385 M C -1.132 175.192 176.300 0.039 0.000 1.253 385 M CA -0.725 54.459 55.300 -0.195 0.000 0.861 385 M CB 2.330 34.449 32.600 -0.801 0.000 1.733 385 M HN 0.676 nan 8.290 nan 0.000 0.462 386 L N 0.572 121.880 121.223 0.143 0.000 2.421 386 L HA 0.371 4.711 4.340 0.000 0.000 0.263 386 L C 1.537 178.485 176.870 0.131 0.000 1.122 386 L CA -0.297 54.677 54.840 0.224 0.000 0.804 386 L CB 0.593 42.820 42.059 0.280 0.000 1.150 386 L HN 0.776 nan 8.230 nan 0.000 0.457 387 T N -0.610 114.111 114.554 0.279 0.000 2.685 387 T HA -0.209 4.141 4.350 0.000 0.000 0.268 387 T C 1.707 176.414 174.700 0.011 0.000 1.034 387 T CA 2.292 64.482 62.100 0.149 0.000 1.149 387 T CB -0.291 68.777 68.868 0.333 0.000 0.860 387 T HN 0.919 nan 8.240 nan 0.000 0.449 388 T N 0.207 114.822 114.554 0.101 0.000 3.023 388 T HA -0.042 4.308 4.350 0.000 0.000 0.266 388 T C 1.449 176.162 174.700 0.022 0.000 1.093 388 T CA 0.777 62.926 62.100 0.082 0.000 1.129 388 T CB -0.190 68.769 68.868 0.152 0.000 0.899 388 T HN 0.267 nan 8.240 nan 0.000 0.491 389 D N 1.769 122.200 120.400 0.051 0.000 2.117 389 D HA 0.031 4.671 4.640 0.000 0.000 0.198 389 D C 2.113 178.315 176.300 -0.163 0.000 0.982 389 D CA 0.739 54.759 54.000 0.033 0.000 0.828 389 D CB -0.204 40.671 40.800 0.126 0.000 0.967 389 D HN 0.362 nan 8.370 nan 0.000 0.464 390 L N 0.866 121.922 121.223 -0.280 0.000 2.201 390 L HA -0.101 4.240 4.340 0.000 0.000 0.212 390 L C 2.420 179.238 176.870 -0.086 0.000 1.105 390 L CA 0.468 55.120 54.840 -0.312 0.000 0.775 390 L CB -0.349 41.422 42.059 -0.481 0.000 0.913 390 L HN -0.068 nan 8.230 nan 0.000 0.440 391 S N 0.486 116.158 115.700 -0.047 0.000 2.387 391 S HA -0.181 4.289 4.470 0.000 0.000 0.230 391 S C 1.913 176.539 174.600 0.043 0.000 1.035 391 S CA 1.244 59.475 58.200 0.052 0.000 1.014 391 S CB -0.290 62.948 63.200 0.064 0.000 0.836 391 S HN 0.378 nan 8.310 nan 0.000 0.466 392 L N 0.490 121.653 121.223 -0.100 0.000 2.353 392 L HA -0.044 4.297 4.340 0.000 0.000 0.220 392 L C 2.523 179.315 176.870 -0.129 0.000 1.133 392 L CA 1.102 55.870 54.840 -0.120 0.000 0.798 392 L CB -0.369 41.627 42.059 -0.105 0.000 0.922 392 L HN 0.287 nan 8.230 nan 0.000 0.445 393 R N -0.616 119.692 120.500 -0.320 0.000 2.225 393 R HA 0.038 4.378 4.340 0.000 0.000 0.194 393 R C 1.702 177.657 176.300 -0.574 0.000 0.957 393 R CA 0.457 56.200 56.100 -0.595 0.000 1.042 393 R CB 0.151 29.810 30.300 -1.069 0.000 1.004 393 R HN 0.151 nan 8.270 nan 0.000 0.509 394 F N 0.593 120.510 119.950 -0.055 0.000 2.731 394 F HA 0.231 4.759 4.527 0.000 0.000 0.298 394 F C 0.545 176.341 175.800 -0.006 0.000 1.106 394 F CA -0.486 57.493 58.000 -0.035 0.000 1.329 394 F CB 0.469 39.420 39.000 -0.082 0.000 1.100 394 F HN -0.030 nan 8.300 nan 0.000 0.592 395 D N 2.100 122.587 120.400 0.143 0.000 2.348 395 D HA 0.060 4.701 4.640 0.000 0.000 0.253 395 D C -1.939 174.372 176.300 0.018 0.000 1.161 395 D CA -1.618 52.420 54.000 0.064 0.000 0.876 395 D CB 1.821 42.650 40.800 0.047 0.000 1.160 395 D HN -0.009 nan 8.370 nan 0.000 0.459 396 P HA -0.093 nan 4.420 nan 0.000 0.218 396 P C 0.832 178.105 177.300 -0.045 0.000 1.148 396 P CA 1.072 64.163 63.100 -0.016 0.000 0.822 396 P CB 0.245 31.936 31.700 -0.016 0.000 0.784 397 A N -1.734 121.021 122.820 -0.108 0.000 1.898 397 A HA -0.141 4.179 4.320 0.000 0.000 0.214 397 A C 2.146 179.700 177.584 -0.049 0.000 1.183 397 A CA 1.031 52.996 52.037 -0.119 0.000 0.622 397 A CB -1.723 17.157 19.000 -0.200 0.000 0.824 397 A HN 0.161 nan 8.150 nan 0.000 0.444 398 Y N -0.420 119.839 120.300 -0.067 0.000 2.224 398 Y HA -0.188 4.363 4.550 0.000 0.000 0.289 398 Y C 2.675 178.519 175.900 -0.094 0.000 1.146 398 Y CA 0.967 59.013 58.100 -0.090 0.000 1.182 398 Y CB 0.097 38.508 38.460 -0.082 0.000 0.983 398 Y HN 0.376 nan 8.280 nan 0.000 0.524 399 E N 1.255 121.509 120.200 0.090 0.000 2.118 399 E HA -0.217 4.133 4.350 0.000 0.000 0.195 399 E C 1.710 178.318 176.600 0.013 0.000 0.992 399 E CA 1.228 57.665 56.400 0.061 0.000 0.804 399 E CB 0.008 29.729 29.700 0.035 0.000 0.741 399 E HN 0.497 nan 8.360 nan 0.000 0.458 400 K N 0.018 120.394 120.400 -0.039 0.000 2.057 400 K HA -0.079 4.241 4.320 0.000 0.000 0.206 400 K C 2.342 178.837 176.600 -0.176 0.000 1.050 400 K CA 1.190 57.420 56.287 -0.095 0.000 0.935 400 K CB -0.074 32.377 32.500 -0.081 0.000 0.715 400 K HN 0.167 nan 8.250 nan 0.000 0.439 401 I N 0.718 121.162 120.570 -0.209 0.000 2.202 401 I HA -0.267 3.903 4.170 0.000 0.000 0.242 401 I C 2.250 177.993 176.117 -0.624 0.000 1.091 401 I CA 1.068 62.093 61.300 -0.458 0.000 1.368 401 I CB -0.240 37.511 38.000 -0.414 0.000 1.058 401 I HN 0.037 nan 8.210 nan 0.000 0.410 402 S N 0.396 115.883 115.700 -0.356 0.000 2.370 402 S HA -0.266 4.205 4.470 0.000 0.000 0.226 402 S C 2.055 176.411 174.600 -0.405 0.000 1.033 402 S CA 1.779 59.734 58.200 -0.407 0.000 1.011 402 S CB -0.380 62.836 63.200 0.027 0.000 0.852 402 S HN 0.347 nan 8.310 nan 0.000 0.457 403 R N 1.578 121.945 120.500 -0.222 0.000 2.092 403 R HA 0.048 4.388 4.340 0.000 0.000 0.231 403 R C 2.264 178.401 176.300 -0.272 0.000 1.119 403 R CA 1.463 57.330 56.100 -0.388 0.000 0.970 403 R CB -0.283 29.788 30.300 -0.382 0.000 0.864 403 R HN 0.323 nan 8.270 nan 0.000 0.440 404 R N -0.607 119.741 120.500 -0.253 0.000 2.075 404 R HA -0.076 4.264 4.340 0.000 0.000 0.232 404 R C 1.927 178.221 176.300 -0.011 0.000 1.126 404 R CA 1.825 57.834 56.100 -0.151 0.000 0.963 404 R CB -0.360 29.830 30.300 -0.182 0.000 0.858 404 R HN 0.341 nan 8.270 nan 0.000 0.435 405 F N -0.846 118.954 119.950 -0.249 0.000 2.259 405 F HA -0.182 4.346 4.527 0.000 0.000 0.298 405 F C 2.454 178.103 175.800 -0.252 0.000 1.088 405 F CA 0.719 58.576 58.000 -0.239 0.000 1.358 405 F CB -0.183 38.520 39.000 -0.495 0.000 1.040 405 F HN 0.307 nan 8.300 nan 0.000 0.505 406 H N 0.919 119.786 119.070 -0.339 0.000 2.293 406 H HA -0.153 4.403 4.556 0.000 0.000 0.300 406 H C 1.790 177.071 175.328 -0.078 0.000 1.082 406 H CA 2.174 58.129 56.048 -0.155 0.000 1.308 406 H CB -0.280 29.358 29.762 -0.205 0.000 1.375 406 H HN 0.230 nan 8.280 nan 0.000 0.495 407 E N -0.419 119.630 120.200 -0.252 0.000 2.268 407 E HA -0.041 4.309 4.350 0.000 0.000 0.195 407 E C -0.045 176.464 176.600 -0.152 0.000 0.995 407 E CA 0.656 56.894 56.400 -0.269 0.000 0.836 407 E CB 0.205 29.792 29.700 -0.188 0.000 0.763 407 E HN 0.492 nan 8.360 nan 0.000 0.491 408 N N 0.562 119.234 118.700 -0.046 0.000 2.752 408 N HA 0.114 4.854 4.740 0.000 0.000 0.260 408 N C -2.418 173.158 175.510 0.110 0.000 1.562 408 N CA -0.904 52.160 53.050 0.023 0.000 0.788 408 N CB 1.475 40.006 38.487 0.074 0.000 1.192 408 N HN -0.044 nan 8.380 nan 0.000 0.503 409 P HA -0.164 nan 4.420 nan 0.000 0.221 409 P C 1.608 179.075 177.300 0.278 0.000 1.145 409 P CA 1.053 64.298 63.100 0.242 0.000 0.795 409 P CB 0.377 32.101 31.700 0.041 0.000 0.775 410 E N 0.598 120.896 120.200 0.163 0.000 2.150 410 E HA -0.219 4.131 4.350 0.000 0.000 0.193 410 E C 1.635 178.315 176.600 0.134 0.000 0.985 410 E CA 1.365 57.849 56.400 0.141 0.000 0.814 410 E CB -0.897 28.855 29.700 0.086 0.000 0.752 410 E HN 0.344 nan 8.360 nan 0.000 0.466 411 Q N -0.556 119.338 119.800 0.158 0.000 2.119 411 Q HA -0.073 4.267 4.340 0.000 0.000 0.201 411 Q C 2.036 178.073 176.000 0.061 0.000 0.972 411 Q CA 1.340 57.245 55.803 0.170 0.000 0.847 411 Q CB -0.305 28.597 28.738 0.275 0.000 0.903 411 Q HN 0.286 nan 8.270 nan 0.000 0.433 412 F N 1.419 121.248 119.950 -0.201 0.000 2.102 412 F HA -0.133 4.394 4.527 0.000 0.000 0.298 412 F C 2.079 177.848 175.800 -0.050 0.000 1.105 412 F CA 1.373 59.023 58.000 -0.582 0.000 1.239 412 F CB -0.736 38.171 39.000 -0.155 0.000 0.991 412 F HN -0.022 nan 8.300 nan 0.000 0.474 413 A N -0.288 122.571 122.820 0.066 0.000 1.933 413 A HA -0.213 4.107 4.320 0.000 0.000 0.218 413 A C 1.954 179.560 177.584 0.036 0.000 1.175 413 A CA 1.951 54.032 52.037 0.074 0.000 0.628 413 A CB -1.241 17.835 19.000 0.126 0.000 0.814 413 A HN 0.502 nan 8.150 nan 0.000 0.444 414 D N -0.525 119.889 120.400 0.023 0.000 2.123 414 D HA 0.033 4.673 4.640 0.000 0.000 0.200 414 D C 2.071 178.399 176.300 0.046 0.000 0.976 414 D CA 1.428 55.442 54.000 0.023 0.000 0.831 414 D CB -0.187 40.639 40.800 0.043 0.000 0.974 414 D HN 0.316 nan 8.370 nan 0.000 0.469 415 A N -0.145 122.712 122.820 0.063 0.000 1.908 415 A HA -0.162 4.159 4.320 0.000 0.000 0.218 415 A C 2.270 179.966 177.584 0.186 0.000 1.181 415 A CA 1.365 53.476 52.037 0.124 0.000 0.627 415 A CB -1.315 17.775 19.000 0.150 0.000 0.818 415 A HN 0.512 nan 8.150 nan 0.000 0.445 416 F N 0.516 120.455 119.950 -0.019 0.000 2.146 416 F HA -0.035 4.492 4.527 0.000 0.000 0.298 416 F C 2.563 178.451 175.800 0.147 0.000 1.096 416 F CA 1.107 59.106 58.000 -0.000 0.000 1.275 416 F CB -0.110 38.738 39.000 -0.254 0.000 1.008 416 F HN 0.289 nan 8.300 nan 0.000 0.480 417 A N 0.915 123.804 122.820 0.115 0.000 1.908 417 A HA -0.226 4.095 4.320 0.000 0.000 0.218 417 A C 2.181 179.802 177.584 0.061 0.000 1.181 417 A CA 1.865 53.964 52.037 0.104 0.000 0.627 417 A CB -0.775 18.252 19.000 0.044 0.000 0.818 417 A HN 0.470 nan 8.150 nan 0.000 0.445 418 R N -0.779 119.663 120.500 -0.096 0.000 2.092 418 R HA -0.016 4.324 4.340 0.000 0.000 0.231 418 R C 2.414 178.724 176.300 0.017 0.000 1.119 418 R CA 1.152 57.094 56.100 -0.264 0.000 0.970 418 R CB -0.365 29.769 30.300 -0.275 0.000 0.864 418 R HN 0.518 nan 8.270 nan 0.000 0.440 419 A N 0.574 123.454 122.820 0.100 0.000 1.970 419 A HA -0.149 4.171 4.320 0.000 0.000 0.216 419 A C 1.827 179.493 177.584 0.136 0.000 1.170 419 A CA 0.564 52.677 52.037 0.126 0.000 0.645 419 A CB -0.740 18.390 19.000 0.218 0.000 0.816 419 A HN 0.584 nan 8.150 nan 0.000 0.447 420 W N -0.309 120.967 121.300 -0.040 0.000 2.381 420 W HA -0.218 4.443 4.660 0.000 0.000 0.301 420 W C 1.791 178.364 176.519 0.091 0.000 1.205 420 W CA 1.729 59.039 57.345 -0.057 0.000 1.285 420 W CB -0.444 28.808 29.460 -0.346 0.000 1.133 420 W HN 0.400 nan 8.180 nan 0.000 0.521 421 F N 2.182 122.193 119.950 0.102 0.000 2.102 421 F HA -0.202 4.325 4.527 0.000 0.000 0.298 421 F C 2.663 178.494 175.800 0.052 0.000 1.105 421 F CA 2.855 60.923 58.000 0.114 0.000 1.239 421 F CB -0.874 38.260 39.000 0.222 0.000 0.991 421 F HN -0.219 nan 8.300 nan 0.000 0.474 422 K N 0.252 120.596 120.400 -0.095 0.000 2.032 422 K HA -0.236 4.085 4.320 0.000 0.000 0.209 422 K C 2.203 178.406 176.600 -0.661 0.000 1.048 422 K CA 1.794 57.696 56.287 -0.642 0.000 0.927 422 K CB -0.643 31.405 32.500 -0.753 0.000 0.712 422 K HN 0.383 nan 8.250 nan 0.000 0.441 423 L N 1.415 122.395 121.223 -0.405 0.000 2.013 423 L HA -0.186 4.155 4.340 0.000 0.000 0.212 423 L C 2.139 178.748 176.870 -0.435 0.000 1.073 423 L CA 2.710 57.347 54.840 -0.337 0.000 0.753 423 L CB -0.951 40.984 42.059 -0.206 0.000 0.890 423 L HN 0.460 nan 8.230 nan 0.000 0.432 424 T N -5.180 109.064 114.554 -0.516 0.000 3.100 424 T HA 0.028 4.378 4.350 0.000 0.000 0.253 424 T C 0.987 175.270 174.700 -0.694 0.000 1.118 424 T CA 0.911 62.677 62.100 -0.556 0.000 1.058 424 T CB -0.488 68.013 68.868 -0.612 0.000 0.953 424 T HN 0.538 nan 8.240 nan 0.000 0.515 425 H N 0.262 118.965 119.070 -0.612 0.000 3.058 425 H HA 0.342 4.898 4.556 0.000 0.000 0.266 425 H C 2.091 177.213 175.328 -0.343 0.000 1.135 425 H CA -0.352 55.384 56.048 -0.521 0.000 1.174 425 H CB 0.264 29.552 29.762 -0.790 0.000 1.581 425 H HN 0.348 nan 8.280 nan 0.000 0.553 426 R N 0.918 121.121 120.500 -0.495 0.000 2.241 426 R HA -0.075 4.266 4.340 0.000 0.000 0.224 426 R C -0.071 175.991 176.300 -0.397 0.000 1.101 426 R CA 1.684 57.445 56.100 -0.566 0.000 0.995 426 R CB -0.092 29.697 30.300 -0.851 0.000 0.870 426 R HN 0.277 nan 8.270 nan 0.000 0.463 427 D N -0.228 119.946 120.400 -0.377 0.000 2.440 427 D HA 0.043 4.683 4.640 0.000 0.000 0.216 427 D C 1.352 177.593 176.300 -0.099 0.000 1.150 427 D CA -0.198 53.678 54.000 -0.206 0.000 0.832 427 D CB 0.069 40.761 40.800 -0.180 0.000 0.992 427 D HN 0.194 nan 8.370 nan 0.000 0.502 428 M N 0.419 119.981 119.600 -0.062 0.000 2.506 428 M HA 0.189 4.669 4.480 0.000 0.000 0.260 428 M C 0.973 177.251 176.300 -0.036 0.000 1.104 428 M CA 0.982 56.261 55.300 -0.036 0.000 1.112 428 M CB 0.119 32.737 32.600 0.031 0.000 1.401 428 M HN 0.326 nan 8.290 nan 0.000 0.473 429 G N 0.702 109.504 108.800 0.004 0.000 2.587 429 G HA2 -0.164 3.796 3.960 0.000 0.000 0.212 429 G HA3 -0.164 3.796 3.960 0.000 0.000 0.212 429 G C -2.890 171.961 174.900 -0.082 0.000 1.327 429 G CA -1.251 43.815 45.100 -0.057 0.000 0.898 429 G HN 0.141 nan 8.290 nan 0.000 0.551 430 P HA 0.264 nan 4.420 nan 0.000 0.268 430 P C 1.052 178.101 177.300 -0.419 0.000 1.208 430 P CA -0.075 62.925 63.100 -0.167 0.000 0.777 430 P CB 0.298 31.996 31.700 -0.003 0.000 0.875 431 R N 2.230 122.381 120.500 -0.582 0.000 2.170 431 R HA -0.183 4.157 4.340 0.000 0.000 0.242 431 R C 1.932 177.901 176.300 -0.551 0.000 1.145 431 R CA 1.633 57.146 56.100 -0.978 0.000 0.984 431 R CB -0.851 29.088 30.300 -0.601 0.000 0.869 431 R HN 0.526 nan 8.270 nan 0.000 0.455 432 A N 1.183 123.840 122.820 -0.272 0.000 2.076 432 A HA -0.157 4.163 4.320 0.000 0.000 0.220 432 A C 1.819 179.354 177.584 -0.082 0.000 1.160 432 A CA 1.081 53.048 52.037 -0.116 0.000 0.653 432 A CB -0.279 18.711 19.000 -0.016 0.000 0.801 432 A HN 0.251 nan 8.150 nan 0.000 0.455 433 R N -1.649 118.759 120.500 -0.155 0.000 2.275 433 R HA 0.038 4.378 4.340 0.000 0.000 0.199 433 R C -0.477 175.865 176.300 0.070 0.000 0.989 433 R CA -0.012 56.029 56.100 -0.099 0.000 1.016 433 R CB -0.057 30.092 30.300 -0.252 0.000 0.918 433 R HN 0.473 nan 8.270 nan 0.000 0.473 434 Y N 1.472 121.716 120.300 -0.093 0.000 2.402 434 Y HA 0.221 4.771 4.550 0.000 0.000 0.333 434 Y C 0.635 176.488 175.900 -0.077 0.000 1.076 434 Y CA -0.791 57.258 58.100 -0.086 0.000 1.299 434 Y CB 0.261 38.701 38.460 -0.034 0.000 1.197 434 Y HN -0.132 nan 8.280 nan 0.000 0.517 435 L N 2.106 123.338 121.223 0.015 0.000 2.333 435 L HA 0.874 5.215 4.340 0.000 0.000 0.269 435 L C 0.535 177.520 176.870 0.191 0.000 1.010 435 L CA -0.903 53.968 54.840 0.052 0.000 0.818 435 L CB 1.963 43.980 42.059 -0.069 0.000 1.306 435 L HN 0.791 nan 8.230 nan 0.000 0.430 436 G N 1.752 110.725 108.800 0.288 0.000 2.592 436 G HA2 -0.108 3.852 3.960 0.000 0.000 0.684 436 G HA3 -0.108 3.852 3.960 0.000 0.000 0.684 436 G C -2.448 172.545 174.900 0.156 0.000 1.291 436 G CA -0.415 44.873 45.100 0.313 0.000 0.891 436 G HN 0.519 nan 8.290 nan 0.000 0.544 437 P HA 0.179 nan 4.420 nan 0.000 0.249 437 P C 0.617 177.946 177.300 0.049 0.000 1.229 437 P CA 0.922 64.055 63.100 0.055 0.000 0.788 437 P CB 0.304 32.017 31.700 0.023 0.000 1.072 438 E N -0.343 119.916 120.200 0.099 0.000 2.558 438 E HA 0.150 4.500 4.350 0.000 0.000 0.205 438 E C -0.273 176.333 176.600 0.011 0.000 1.006 438 E CA -0.263 56.178 56.400 0.068 0.000 0.961 438 E CB 0.882 30.682 29.700 0.167 0.000 1.044 438 E HN -0.001 nan 8.360 nan 0.000 0.465 439 V N 3.866 123.781 119.914 0.003 0.000 2.521 439 V HA 0.066 4.186 4.120 0.000 0.000 0.286 439 V C -1.951 174.057 176.094 -0.144 0.000 1.034 439 V CA -1.296 60.984 62.300 -0.033 0.000 1.045 439 V CB 0.035 31.904 31.823 0.076 0.000 0.974 439 V HN 0.103 nan 8.190 nan 0.000 0.480 440 P HA 0.179 nan 4.420 nan 0.000 0.268 440 P C 0.413 177.564 177.300 -0.248 0.000 1.204 440 P CA -0.124 62.692 63.100 -0.473 0.000 0.768 440 P CB 0.950 32.121 31.700 -0.881 0.000 0.842 441 A N 2.599 125.283 122.820 -0.226 0.000 2.067 441 A HA -0.091 4.229 4.320 0.000 0.000 0.217 441 A C 1.040 178.562 177.584 -0.103 0.000 1.156 441 A CA 0.559 52.518 52.037 -0.130 0.000 0.683 441 A CB -0.675 18.257 19.000 -0.113 0.000 0.808 441 A HN 0.653 nan 8.150 nan 0.000 0.455 442 E N 0.560 120.690 120.200 -0.116 0.000 2.376 442 E HA 0.309 4.660 4.350 0.000 0.000 0.266 442 E C -1.143 175.450 176.600 -0.011 0.000 1.009 442 E CA -0.311 56.074 56.400 -0.025 0.000 0.902 442 E CB 0.653 30.401 29.700 0.080 0.000 0.972 442 E HN 0.094 nan 8.360 nan 0.000 0.439 443 V N 6.675 126.569 119.914 -0.033 0.000 2.406 443 V HA 0.215 4.335 4.120 0.000 0.000 0.272 443 V C 0.133 176.170 176.094 -0.095 0.000 1.043 443 V CA -0.357 61.896 62.300 -0.079 0.000 0.915 443 V CB 0.758 32.532 31.823 -0.082 0.000 0.988 443 V HN 0.571 nan 8.190 nan 0.000 0.466 444 L N 4.750 125.847 121.223 -0.210 0.000 2.325 444 L HA 0.398 4.739 4.340 0.000 0.000 0.278 444 L C 0.991 177.659 176.870 -0.336 0.000 1.023 444 L CA -0.618 54.058 54.840 -0.273 0.000 0.811 444 L CB 1.420 43.215 42.059 -0.440 0.000 1.249 444 L HN 0.482 nan 8.230 nan 0.000 0.431 445 L N 3.161 124.303 121.223 -0.135 0.000 2.083 445 L HA -0.159 4.181 4.340 0.000 0.000 0.209 445 L C 2.059 178.929 176.870 -0.000 0.000 1.083 445 L CA 1.760 56.577 54.840 -0.038 0.000 0.752 445 L CB -0.553 41.539 42.059 0.057 0.000 0.899 445 L HN 0.789 nan 8.230 nan 0.000 0.433 446 W N -1.066 120.277 121.300 0.072 0.000 2.611 446 W HA -0.116 4.544 4.660 0.000 0.000 0.251 446 W C 1.260 177.817 176.519 0.063 0.000 1.265 446 W CA 0.259 57.645 57.345 0.069 0.000 1.295 446 W CB -1.070 28.433 29.460 0.071 0.000 1.129 446 W HN 0.338 nan 8.180 nan 0.000 0.630 447 Q N 1.030 120.591 119.800 -0.399 0.000 2.444 447 Q HA -0.053 4.287 4.340 0.000 0.000 0.206 447 Q C -0.260 175.675 176.000 -0.108 0.000 0.948 447 Q CA 0.448 56.036 55.803 -0.358 0.000 0.946 447 Q CB -0.375 27.991 28.738 -0.621 0.000 1.027 447 Q HN 0.071 nan 8.270 nan 0.000 0.513 448 D N 1.487 121.870 120.400 -0.028 0.000 2.740 448 D HA -0.138 4.503 4.640 0.000 0.000 0.231 448 D C -2.395 173.879 176.300 -0.042 0.000 1.194 448 D CA 0.512 54.510 54.000 -0.002 0.000 0.673 448 D CB -0.762 40.064 40.800 0.042 0.000 0.995 448 D HN 0.306 nan 8.370 nan 0.000 0.411 449 P HA 0.079 nan 4.420 nan 0.000 0.268 449 P C 0.182 177.447 177.300 -0.058 0.000 1.205 449 P CA -0.251 62.795 63.100 -0.090 0.000 0.771 449 P CB 0.896 32.538 31.700 -0.098 0.000 0.858 450 I N 3.899 124.433 120.570 -0.061 0.000 2.362 450 I HA 0.296 4.466 4.170 0.000 0.000 0.289 450 I C -1.951 174.137 176.117 -0.048 0.000 0.994 450 I CA -2.849 58.424 61.300 -0.044 0.000 1.158 450 I CB 0.470 38.446 38.000 -0.040 0.000 1.315 450 I HN 0.178 nan 8.210 nan 0.000 0.451 451 P HA 0.173 nan 4.420 nan 0.000 0.268 451 P C -0.132 177.142 177.300 -0.042 0.000 1.208 451 P CA -0.257 62.823 63.100 -0.034 0.000 0.777 451 P CB 0.560 32.250 31.700 -0.017 0.000 0.875 452 A N 2.033 124.825 122.820 -0.046 0.000 2.448 452 A HA 0.267 4.588 4.320 0.000 0.000 0.239 452 A C -0.088 177.454 177.584 -0.070 0.000 1.080 452 A CA -0.255 51.747 52.037 -0.059 0.000 0.779 452 A CB -0.015 18.953 19.000 -0.054 0.000 1.026 452 A HN 0.381 nan 8.150 nan 0.000 0.499 453 V N 2.182 122.028 119.914 -0.112 0.000 2.407 453 V HA 0.269 4.389 4.120 0.000 0.000 0.278 453 V C -0.241 175.729 176.094 -0.207 0.000 1.037 453 V CA -0.056 62.120 62.300 -0.206 0.000 0.900 453 V CB 1.349 32.996 31.823 -0.292 0.000 0.983 453 V HN 0.974 nan 8.190 nan 0.000 0.459 454 D N 2.190 122.483 120.400 -0.179 0.000 2.538 454 D HA 0.184 4.825 4.640 0.000 0.000 0.231 454 D C 0.032 176.333 176.300 0.001 0.000 1.229 454 D CA -0.183 53.779 54.000 -0.063 0.000 0.828 454 D CB -0.016 40.788 40.800 0.006 0.000 1.035 454 D HN 0.800 nan 8.370 nan 0.000 0.495 455 H N -2.982 116.091 119.070 0.007 0.000 3.016 455 H HA 0.689 5.245 4.556 0.000 0.000 0.362 455 H C -3.149 172.190 175.328 0.018 0.000 1.233 455 H CA -2.067 53.989 56.048 0.013 0.000 1.124 455 H CB -0.041 29.734 29.762 0.021 0.000 1.850 455 H HN -0.345 nan 8.280 nan 0.000 0.549 456 P HA 0.103 nan 4.420 nan 0.000 0.266 456 P C -0.338 177.150 177.300 0.313 0.000 1.195 456 P CA -0.126 63.086 63.100 0.187 0.000 0.768 456 P CB 0.641 32.419 31.700 0.131 0.000 0.838 457 L N 2.741 124.070 121.223 0.177 0.000 2.399 457 L HA 0.432 4.772 4.340 0.000 0.000 0.265 457 L C 1.098 178.071 176.870 0.172 0.000 1.089 457 L CA -1.277 53.676 54.840 0.189 0.000 0.802 457 L CB 0.354 42.469 42.059 0.093 0.000 1.180 457 L HN 0.366 nan 8.230 nan 0.000 0.454 458 I N -1.203 119.481 120.570 0.189 0.000 2.813 458 I HA 0.122 4.292 4.170 0.000 0.000 0.287 458 I C -0.173 176.031 176.117 0.144 0.000 1.196 458 I CA -0.558 60.852 61.300 0.182 0.000 1.421 458 I CB 0.325 38.415 38.000 0.151 0.000 1.365 458 I HN 0.589 nan 8.210 nan 0.000 0.591 459 D N 4.220 124.698 120.400 0.130 0.000 2.564 459 D HA 0.484 5.125 4.640 0.000 0.000 0.273 459 D C 0.887 177.248 176.300 0.101 0.000 1.192 459 D CA -0.287 53.774 54.000 0.101 0.000 1.080 459 D CB 0.832 41.679 40.800 0.080 0.000 1.160 459 D HN 0.598 nan 8.370 nan 0.000 0.607 460 A N -0.235 122.635 122.820 0.082 0.000 1.898 460 A HA 0.090 4.410 4.320 0.000 0.000 0.216 460 A C 2.166 179.786 177.584 0.062 0.000 1.181 460 A CA 2.522 54.605 52.037 0.077 0.000 0.620 460 A CB -1.437 17.600 19.000 0.061 0.000 0.819 460 A HN 0.671 nan 8.150 nan 0.000 0.442 461 A N 0.132 122.989 122.820 0.061 0.000 1.908 461 A HA -0.222 4.098 4.320 0.000 0.000 0.218 461 A C 1.769 179.396 177.584 0.072 0.000 1.181 461 A CA 1.976 54.048 52.037 0.058 0.000 0.627 461 A CB -0.604 18.431 19.000 0.058 0.000 0.818 461 A HN 0.485 nan 8.150 nan 0.000 0.445 462 D N 0.014 120.474 120.400 0.100 0.000 2.117 462 D HA -0.045 4.595 4.640 0.000 0.000 0.197 462 D C 2.267 178.564 176.300 -0.005 0.000 0.987 462 D CA 1.510 55.591 54.000 0.136 0.000 0.829 462 D CB -0.483 40.442 40.800 0.209 0.000 0.961 462 D HN 0.429 nan 8.370 nan 0.000 0.460 463 A N 1.193 124.002 122.820 -0.019 0.000 1.902 463 A HA -0.067 4.253 4.320 0.000 0.000 0.217 463 A C 2.335 179.854 177.584 -0.108 0.000 1.181 463 A CA 2.267 54.237 52.037 -0.111 0.000 0.623 463 A CB -0.711 18.268 19.000 -0.035 0.000 0.818 463 A HN 0.238 nan 8.150 nan 0.000 0.443 464 A N -0.304 122.495 122.820 -0.036 0.000 1.902 464 A HA -0.199 4.121 4.320 0.000 0.000 0.217 464 A C 2.070 179.639 177.584 -0.026 0.000 1.181 464 A CA 1.827 53.849 52.037 -0.025 0.000 0.623 464 A CB -0.540 18.462 19.000 0.005 0.000 0.818 464 A HN 0.700 nan 8.150 nan 0.000 0.443 465 E N -0.185 120.013 120.200 -0.002 0.000 2.106 465 E HA -0.151 4.199 4.350 0.000 0.000 0.192 465 E C 1.922 178.509 176.600 -0.022 0.000 0.984 465 E CA 1.033 57.447 56.400 0.022 0.000 0.806 465 E CB -0.193 29.568 29.700 0.102 0.000 0.750 465 E HN 0.620 nan 8.360 nan 0.000 0.458 466 L N 0.627 121.781 121.223 -0.115 0.000 2.093 466 L HA -0.140 4.200 4.340 0.000 0.000 0.208 466 L C 2.654 179.436 176.870 -0.148 0.000 1.085 466 L CA 1.129 55.849 54.840 -0.199 0.000 0.755 466 L CB -0.217 41.603 42.059 -0.398 0.000 0.904 466 L HN 0.053 nan 8.230 nan 0.000 0.435 467 K N -0.035 120.280 120.400 -0.141 0.000 2.063 467 K HA -0.173 4.147 4.320 0.000 0.000 0.208 467 K C 2.187 178.749 176.600 -0.064 0.000 1.048 467 K CA 1.471 57.693 56.287 -0.108 0.000 0.928 467 K CB -0.264 32.176 32.500 -0.099 0.000 0.713 467 K HN 0.294 nan 8.250 nan 0.000 0.442 468 A N 1.834 124.627 122.820 -0.045 0.000 1.930 468 A HA -0.145 4.175 4.320 0.000 0.000 0.217 468 A C 1.898 179.471 177.584 -0.019 0.000 1.175 468 A CA 1.286 53.309 52.037 -0.024 0.000 0.627 468 A CB -0.167 18.827 19.000 -0.010 0.000 0.815 468 A HN 0.133 nan 8.150 nan 0.000 0.443 469 K N -0.311 120.077 120.400 -0.020 0.000 2.148 469 K HA -0.024 4.297 4.320 0.000 0.000 0.204 469 K C 1.926 178.515 176.600 -0.020 0.000 1.050 469 K CA 1.156 57.437 56.287 -0.010 0.000 0.942 469 K CB -0.358 32.145 32.500 0.004 0.000 0.724 469 K HN 0.341 nan 8.250 nan 0.000 0.446 470 V N 2.017 121.907 119.914 -0.039 0.000 2.307 470 V HA -0.218 3.902 4.120 0.000 0.000 0.245 470 V C 2.310 178.389 176.094 -0.025 0.000 1.045 470 V CA 1.498 63.776 62.300 -0.037 0.000 1.024 470 V CB -0.341 31.448 31.823 -0.057 0.000 0.651 470 V HN 0.238 nan 8.190 nan 0.000 0.449 471 L N 0.049 121.257 121.223 -0.027 0.000 2.141 471 L HA -0.093 4.247 4.340 0.000 0.000 0.209 471 L C 2.579 179.441 176.870 -0.013 0.000 1.094 471 L CA 1.352 56.180 54.840 -0.020 0.000 0.763 471 L CB -0.717 41.328 42.059 -0.023 0.000 0.908 471 L HN 0.357 nan 8.230 nan 0.000 0.437 472 A N -0.082 122.732 122.820 -0.011 0.000 2.121 472 A HA -0.141 4.179 4.320 0.000 0.000 0.218 472 A C 2.435 180.017 177.584 -0.003 0.000 1.154 472 A CA 1.437 53.471 52.037 -0.005 0.000 0.679 472 A CB -0.455 18.544 19.000 -0.002 0.000 0.795 472 A HN 0.511 nan 8.150 nan 0.000 0.458 473 S N -2.017 113.680 115.700 -0.005 0.000 2.489 473 S HA 0.316 4.786 4.470 0.000 0.000 0.228 473 S C 1.573 176.172 174.600 -0.001 0.000 0.995 473 S CA 1.217 59.416 58.200 -0.002 0.000 0.934 473 S CB -0.278 62.920 63.200 -0.003 0.000 0.771 473 S HN 1.815 nan 8.310 nan 0.000 0.522 474 G N 0.739 109.537 108.800 -0.003 0.000 2.213 474 G HA2 -0.222 3.738 3.960 0.000 0.000 0.236 474 G HA3 -0.222 3.738 3.960 0.000 0.000 0.236 474 G C 0.013 174.913 174.900 -0.001 0.000 0.991 474 G CA 0.003 45.102 45.100 -0.002 0.000 0.629 474 G HN 0.535 nan 8.290 nan 0.000 0.517 475 L N 2.621 123.844 121.223 -0.001 0.000 2.578 475 L HA 0.326 4.666 4.340 0.000 0.000 0.279 475 L C 1.675 178.544 176.870 -0.002 0.000 1.227 475 L CA 0.797 55.638 54.840 0.001 0.000 0.900 475 L CB 0.326 42.386 42.059 0.002 0.000 1.144 475 L HN 0.484 nan 8.230 nan 0.000 0.496 476 T N -0.379 114.175 114.554 0.000 0.000 2.849 476 T HA 0.236 4.586 4.350 0.000 0.000 0.284 476 T C 1.365 176.059 174.700 -0.010 0.000 1.004 476 T CA -0.998 61.099 62.100 -0.005 0.000 1.021 476 T CB 1.569 70.435 68.868 -0.003 0.000 1.013 476 T HN 0.244 nan 8.240 nan 0.000 0.527 477 V N 1.593 121.493 119.914 -0.023 0.000 2.250 477 V HA -0.232 3.888 4.120 0.000 0.000 0.250 477 V C 3.056 179.132 176.094 -0.030 0.000 1.060 477 V CA 2.670 64.946 62.300 -0.040 0.000 1.030 477 V CB -1.293 30.494 31.823 -0.059 0.000 0.643 477 V HN 1.144 nan 8.190 nan 0.000 0.445 478 S N -1.026 114.661 115.700 -0.021 0.000 2.365 478 S HA -0.351 4.120 4.470 0.000 0.000 0.225 478 S C 2.037 176.652 174.600 0.024 0.000 1.039 478 S CA 2.440 60.636 58.200 -0.006 0.000 1.033 478 S CB -0.338 62.860 63.200 -0.004 0.000 0.887 478 S HN 0.714 nan 8.310 nan 0.000 0.447 479 Q N 0.163 119.978 119.800 0.025 0.000 2.084 479 Q HA -0.038 4.303 4.340 0.000 0.000 0.202 479 Q C 2.384 178.421 176.000 0.062 0.000 0.978 479 Q CA 1.817 57.645 55.803 0.042 0.000 0.844 479 Q CB -0.307 28.448 28.738 0.029 0.000 0.898 479 Q HN 0.563 nan 8.270 nan 0.000 0.426 480 L N -0.441 120.812 121.223 0.049 0.000 2.027 480 L HA -0.174 4.166 4.340 0.000 0.000 0.206 480 L C 2.349 179.303 176.870 0.139 0.000 1.074 480 L CA 0.800 55.682 54.840 0.070 0.000 0.745 480 L CB -0.531 41.547 42.059 0.031 0.000 0.898 480 L HN 0.097 nan 8.230 nan 0.000 0.433 481 V N -0.760 119.215 119.914 0.101 0.000 2.343 481 V HA -0.251 3.869 4.120 0.000 0.000 0.247 481 V C 2.588 178.891 176.094 0.348 0.000 1.051 481 V CA 2.003 64.410 62.300 0.178 0.000 1.036 481 V CB -0.394 31.407 31.823 -0.036 0.000 0.654 481 V HN 0.376 nan 8.190 nan 0.000 0.451 482 S N -0.230 115.602 115.700 0.220 0.000 2.368 482 S HA -0.208 4.262 4.470 0.000 0.000 0.225 482 S C 2.065 176.827 174.600 0.269 0.000 1.030 482 S CA 1.999 60.347 58.200 0.246 0.000 0.999 482 S CB -0.430 62.857 63.200 0.145 0.000 0.844 482 S HN 0.687 nan 8.310 nan 0.000 0.459 483 T N 2.244 116.919 114.554 0.202 0.000 2.770 483 T HA 0.046 4.396 4.350 0.000 0.000 0.263 483 T C 2.198 176.998 174.700 0.167 0.000 1.039 483 T CA 1.155 63.347 62.100 0.153 0.000 1.142 483 T CB -0.473 68.457 68.868 0.103 0.000 0.868 483 T HN 0.457 nan 8.240 nan 0.000 0.435 484 A N 1.316 124.281 122.820 0.242 0.000 1.898 484 A HA -0.093 4.227 4.320 0.000 0.000 0.216 484 A C 2.154 179.810 177.584 0.119 0.000 1.181 484 A CA 1.166 53.323 52.037 0.201 0.000 0.620 484 A CB -1.080 18.141 19.000 0.369 0.000 0.819 484 A HN 0.741 nan 8.150 nan 0.000 0.442 485 W N 0.855 122.242 121.300 0.146 0.000 2.335 485 W HA -0.241 4.419 4.660 0.000 0.000 0.311 485 W C 2.262 178.800 176.519 0.030 0.000 1.213 485 W CA 2.209 59.584 57.345 0.051 0.000 1.274 485 W CB -0.338 29.242 29.460 0.199 0.000 1.148 485 W HN 0.424 nan 8.180 nan 0.000 0.498 486 A N 0.775 123.656 122.820 0.101 0.000 1.978 486 A HA -0.090 4.230 4.320 0.000 0.000 0.220 486 A C 2.126 179.660 177.584 -0.084 0.000 1.170 486 A CA 2.623 54.668 52.037 0.013 0.000 0.636 486 A CB -1.180 17.888 19.000 0.114 0.000 0.810 486 A HN 0.344 nan 8.150 nan 0.000 0.448 487 A N -0.657 122.110 122.820 -0.088 0.000 1.898 487 A HA 0.354 4.674 4.320 0.000 0.000 0.214 487 A C 2.385 179.872 177.584 -0.162 0.000 1.183 487 A CA 1.641 53.622 52.037 -0.093 0.000 0.622 487 A CB -0.710 18.254 19.000 -0.060 0.000 0.824 487 A HN 0.976 nan 8.150 nan 0.000 0.444 488 A N -0.066 122.581 122.820 -0.288 0.000 2.030 488 A HA 0.116 4.436 4.320 0.000 0.000 0.215 488 A C 2.187 179.519 177.584 -0.420 0.000 1.164 488 A CA 1.506 53.334 52.037 -0.350 0.000 0.697 488 A CB -0.552 18.173 19.000 -0.458 0.000 0.827 488 A HN 0.891 nan 8.150 nan 0.000 0.457 489 S N -0.125 115.188 115.700 -0.646 0.000 2.593 489 S HA -0.054 4.417 4.470 0.000 0.000 0.217 489 S C 1.497 175.921 174.600 -0.293 0.000 0.966 489 S CA 1.085 58.824 58.200 -0.769 0.000 0.914 489 S CB -0.979 61.215 63.200 -1.676 0.000 0.776 489 S HN 0.638 nan 8.310 nan 0.000 0.523 490 T N -1.381 113.097 114.554 -0.126 0.000 3.085 490 T HA 0.157 4.507 4.350 0.000 0.000 0.263 490 T C 0.351 175.072 174.700 0.036 0.000 1.127 490 T CA -0.346 61.766 62.100 0.020 0.000 1.103 490 T CB -0.831 68.110 68.868 0.122 0.000 0.921 490 T HN 0.387 nan 8.240 nan 0.000 0.510 491 F N 4.379 124.264 119.950 -0.108 0.000 2.602 491 F HA 0.281 4.808 4.527 0.000 0.000 0.367 491 F C 0.714 176.492 175.800 -0.037 0.000 1.126 491 F CA -0.781 57.180 58.000 -0.065 0.000 1.321 491 F CB 0.557 39.493 39.000 -0.106 0.000 1.094 491 F HN 0.197 nan 8.300 nan 0.000 0.594 492 R N 4.103 124.059 120.500 -0.908 0.000 2.574 492 R HA 0.483 4.823 4.340 0.000 0.000 0.288 492 R C 0.195 176.011 176.300 -0.808 0.000 1.004 492 R CA -0.489 55.268 56.100 -0.573 0.000 0.895 492 R CB 1.179 31.321 30.300 -0.264 0.000 1.191 492 R HN 0.749 nan 8.270 nan 0.000 0.444 493 G N 0.924 109.557 108.800 -0.278 0.000 2.650 493 G HA2 -0.198 3.762 3.960 0.000 0.000 0.214 493 G HA3 -0.198 3.762 3.960 0.000 0.000 0.214 493 G C 1.143 176.031 174.900 -0.020 0.000 1.136 493 G CA 0.595 45.686 45.100 -0.015 0.000 0.789 493 G HN 0.736 nan 8.290 nan 0.000 0.536 494 S N 1.363 117.022 115.700 -0.068 0.000 2.368 494 S HA -0.124 4.346 4.470 0.000 0.000 0.224 494 S C 1.562 176.166 174.600 0.007 0.000 1.029 494 S CA 1.625 59.813 58.200 -0.020 0.000 0.988 494 S CB -0.059 63.113 63.200 -0.045 0.000 0.838 494 S HN 0.470 nan 8.310 nan 0.000 0.462 495 D N -0.399 119.986 120.400 -0.025 0.000 2.539 495 D HA 0.177 4.817 4.640 0.000 0.000 0.232 495 D C -0.001 176.274 176.300 -0.042 0.000 1.256 495 D CA -0.294 53.722 54.000 0.027 0.000 0.810 495 D CB -0.597 40.320 40.800 0.196 0.000 1.090 495 D HN 0.391 nan 8.370 nan 0.000 0.519 496 K N 0.268 120.576 120.400 -0.154 0.000 3.069 496 K HA -0.218 4.103 4.320 0.000 0.000 0.267 496 K C -0.052 176.496 176.600 -0.087 0.000 1.082 496 K CA 0.586 56.788 56.287 -0.142 0.000 0.782 496 K CB -1.250 31.303 32.500 0.088 0.000 1.230 496 K HN 0.318 nan 8.250 nan 0.000 0.488 497 R N 0.170 120.565 120.500 -0.175 0.000 2.543 497 R HA 0.543 4.883 4.340 0.000 0.000 0.268 497 R C 1.008 177.266 176.300 -0.070 0.000 1.067 497 R CA 0.207 56.283 56.100 -0.040 0.000 1.142 497 R CB 1.031 31.341 30.300 0.017 0.000 1.110 497 R HN 0.333 nan 8.270 nan 0.000 0.549 498 G N -0.482 108.362 108.800 0.073 0.000 2.725 498 G HA2 0.180 4.140 3.960 0.000 0.000 0.220 498 G HA3 0.180 4.140 3.960 0.000 0.000 0.220 498 G C -0.026 175.016 174.900 0.237 0.000 1.357 498 G CA -0.428 44.742 45.100 0.116 0.000 0.866 498 G HN 1.153 nan 8.290 nan 0.000 0.548 499 G N -2.882 106.018 108.800 0.167 0.000 2.603 499 G HA2 0.486 4.446 3.960 0.000 0.000 0.686 499 G HA3 0.486 4.446 3.960 0.000 0.000 0.686 499 G C 0.900 175.791 174.900 -0.015 0.000 1.286 499 G CA 0.947 46.096 45.100 0.081 0.000 0.871 499 G HN 2.438 nan 8.290 nan 0.000 0.568 500 A N -0.147 122.622 122.820 -0.085 0.000 2.021 500 A HA 0.278 4.598 4.320 0.000 0.000 0.216 500 A C 1.346 178.899 177.584 -0.052 0.000 1.163 500 A CA 1.515 53.503 52.037 -0.082 0.000 0.676 500 A CB -0.342 18.590 19.000 -0.113 0.000 0.818 500 A HN 1.171 nan 8.150 nan 0.000 0.453 501 N N 0.009 118.678 118.700 -0.052 0.000 2.356 501 N HA 0.218 4.958 4.740 0.000 0.000 0.252 501 N C 1.197 176.697 175.510 -0.017 0.000 1.241 501 N CA 1.688 54.718 53.050 -0.034 0.000 0.861 501 N CB 0.370 38.837 38.487 -0.033 0.000 1.075 501 N HN 0.676 nan 8.380 nan 0.000 0.461 502 G N 2.099 110.889 108.800 -0.016 0.000 2.234 502 G HA2 -0.173 3.787 3.960 0.000 0.000 0.235 502 G HA3 -0.173 3.787 3.960 0.000 0.000 0.235 502 G C 0.464 175.353 174.900 -0.019 0.000 0.997 502 G CA 0.499 45.590 45.100 -0.015 0.000 0.623 502 G HN 1.679 nan 8.290 nan 0.000 0.514 503 A N -0.715 122.092 122.820 -0.022 0.000 2.704 503 A HA -0.267 4.053 4.320 0.000 0.000 0.299 503 A C 1.526 179.083 177.584 -0.045 0.000 1.507 503 A CA 2.274 54.294 52.037 -0.028 0.000 0.776 503 A CB -1.627 17.365 19.000 -0.015 0.000 1.027 503 A HN 1.000 nan 8.150 nan 0.000 0.475 504 R N -0.758 119.709 120.500 -0.056 0.000 2.307 504 R HA 0.133 4.473 4.340 0.000 0.000 0.199 504 R C 1.903 178.120 176.300 -0.139 0.000 1.000 504 R CA 0.925 56.974 56.100 -0.085 0.000 1.023 504 R CB -0.189 30.066 30.300 -0.075 0.000 0.908 504 R HN 0.820 nan 8.270 nan 0.000 0.473 505 I N 2.127 122.624 120.570 -0.122 0.000 2.530 505 I HA -0.292 3.879 4.170 0.000 0.000 0.257 505 I C 2.330 178.369 176.117 -0.130 0.000 1.179 505 I CA 1.302 62.515 61.300 -0.145 0.000 1.440 505 I CB -0.003 37.946 38.000 -0.084 0.000 1.087 505 I HN 0.146 nan 8.210 nan 0.000 0.440 506 R N 0.362 120.806 120.500 -0.093 0.000 2.297 506 R HA 0.111 4.452 4.340 0.000 0.000 0.197 506 R C 0.300 176.549 176.300 -0.084 0.000 0.943 506 R CA 0.097 56.154 56.100 -0.072 0.000 1.038 506 R CB -0.126 30.147 30.300 -0.044 0.000 0.957 506 R HN 0.290 nan 8.270 nan 0.000 0.484 507 L N 0.901 122.056 121.223 -0.114 0.000 2.332 507 L HA 0.564 4.904 4.340 0.000 0.000 0.269 507 L C 0.157 176.935 176.870 -0.153 0.000 1.016 507 L CA -1.411 53.365 54.840 -0.106 0.000 0.809 507 L CB 1.497 43.504 42.059 -0.087 0.000 1.280 507 L HN 0.008 nan 8.230 nan 0.000 0.447 508 A N 1.779 124.530 122.820 -0.114 0.000 2.477 508 A HA 0.323 4.643 4.320 0.000 0.000 0.246 508 A C -1.795 175.702 177.584 -0.145 0.000 1.078 508 A CA -0.744 51.218 52.037 -0.124 0.000 0.770 508 A CB -0.193 18.775 19.000 -0.053 0.000 1.011 508 A HN 0.604 nan 8.150 nan 0.000 0.494 509 P HA 0.020 nan 4.420 nan 0.000 0.261 509 P C 0.753 177.581 177.300 -0.787 0.000 1.268 509 P CA 0.354 63.286 63.100 -0.280 0.000 0.833 509 P CB 0.379 32.061 31.700 -0.030 0.000 1.231 510 Q N 1.334 120.519 119.800 -1.025 0.000 2.152 510 Q HA -0.182 4.158 4.340 0.000 0.000 0.206 510 Q C 2.129 177.717 176.000 -0.686 0.000 0.985 510 Q CA 1.755 56.701 55.803 -1.429 0.000 0.863 510 Q CB -0.447 27.741 28.738 -0.916 0.000 0.904 510 Q HN 0.467 nan 8.270 nan 0.000 0.422 511 K N 0.186 120.352 120.400 -0.390 0.000 2.283 511 K HA -0.116 4.204 4.320 0.000 0.000 0.202 511 K C 0.528 177.063 176.600 -0.108 0.000 1.048 511 K CA 1.417 57.593 56.287 -0.185 0.000 0.948 511 K CB 0.283 32.707 32.500 -0.126 0.000 0.742 511 K HN 0.063 nan 8.250 nan 0.000 0.458 512 D N -0.154 120.172 120.400 -0.124 0.000 2.402 512 D HA 0.034 4.675 4.640 0.000 0.000 0.216 512 D C -0.558 175.836 176.300 0.158 0.000 1.128 512 D CA -0.184 53.824 54.000 0.014 0.000 0.833 512 D CB 0.191 41.007 40.800 0.027 0.000 0.971 512 D HN 0.161 nan 8.370 nan 0.000 0.503 513 W N 2.241 123.552 121.300 0.017 0.000 2.216 513 W HA 0.104 4.764 4.660 0.000 0.000 0.326 513 W C 1.783 178.301 176.519 -0.002 0.000 1.319 513 W CA -0.904 56.452 57.345 0.019 0.000 1.213 513 W CB 0.445 29.912 29.460 0.011 0.000 1.171 513 W HN 0.094 nan 8.180 nan 0.000 0.557 514 E N 2.513 122.850 120.200 0.230 0.000 2.118 514 E HA -0.224 4.126 4.350 0.000 0.000 0.195 514 E C 1.986 178.554 176.600 -0.054 0.000 0.992 514 E CA 1.856 58.327 56.400 0.118 0.000 0.804 514 E CB 0.147 29.956 29.700 0.182 0.000 0.741 514 E HN 0.489 nan 8.360 nan 0.000 0.458 515 A N 0.946 123.624 122.820 -0.236 0.000 2.019 515 A HA -0.162 4.158 4.320 0.000 0.000 0.219 515 A C 1.687 179.176 177.584 -0.159 0.000 1.164 515 A CA 1.427 53.111 52.037 -0.588 0.000 0.644 515 A CB -0.349 18.280 19.000 -0.618 0.000 0.805 515 A HN 0.250 nan 8.150 nan 0.000 0.449 516 N N -0.052 118.667 118.700 0.031 0.000 2.398 516 N HA 0.043 4.784 4.740 0.000 0.000 0.188 516 N C -0.566 174.975 175.510 0.051 0.000 1.122 516 N CA 0.430 53.527 53.050 0.078 0.000 0.866 516 N CB -0.121 38.440 38.487 0.123 0.000 0.970 516 N HN 0.590 nan 8.380 nan 0.000 0.462 517 Q N -0.981 118.839 119.800 0.033 0.000 2.448 517 Q HA -0.149 4.192 4.340 0.000 0.000 0.357 517 Q C -1.910 174.114 176.000 0.040 0.000 1.443 517 Q CA -0.183 55.642 55.803 0.037 0.000 0.996 517 Q CB -1.258 27.500 28.738 0.035 0.000 1.180 517 Q HN 0.254 nan 8.270 nan 0.000 0.338 518 P HA -0.247 nan 4.420 nan 0.000 0.216 518 P C 0.978 178.293 177.300 0.025 0.000 1.154 518 P CA 1.474 64.593 63.100 0.033 0.000 0.865 518 P CB 0.215 31.939 31.700 0.040 0.000 0.789 519 E N -0.613 119.604 120.200 0.029 0.000 2.028 519 E HA -0.230 4.120 4.350 0.000 0.000 0.190 519 E C 2.250 178.863 176.600 0.022 0.000 0.984 519 E CA 0.978 57.392 56.400 0.024 0.000 0.800 519 E CB -0.407 29.309 29.700 0.026 0.000 0.758 519 E HN 0.337 nan 8.360 nan 0.000 0.448 520 Q N 1.073 120.889 119.800 0.026 0.000 2.112 520 Q HA -0.231 4.109 4.340 0.000 0.000 0.206 520 Q C 2.286 178.302 176.000 0.026 0.000 0.987 520 Q CA 1.427 57.246 55.803 0.027 0.000 0.858 520 Q CB -0.195 28.562 28.738 0.032 0.000 0.905 520 Q HN 0.205 nan 8.270 nan 0.000 0.420 521 L N 0.863 122.102 121.223 0.027 0.000 1.989 521 L HA -0.111 4.229 4.340 0.000 0.000 0.211 521 L C 2.399 179.276 176.870 0.012 0.000 1.071 521 L CA 2.384 57.237 54.840 0.022 0.000 0.749 521 L CB -1.172 40.898 42.059 0.018 0.000 0.890 521 L HN 0.340 nan 8.230 nan 0.000 0.431 522 A N -0.542 122.283 122.820 0.009 0.000 1.948 522 A HA -0.215 4.105 4.320 0.000 0.000 0.220 522 A C 2.431 180.019 177.584 0.007 0.000 1.177 522 A CA 2.274 54.314 52.037 0.004 0.000 0.636 522 A CB -1.227 17.776 19.000 0.005 0.000 0.815 522 A HN 0.630 nan 8.150 nan 0.000 0.449 523 A N -0.856 121.971 122.820 0.011 0.000 1.897 523 A HA 0.094 4.414 4.320 0.000 0.000 0.215 523 A C 2.223 179.813 177.584 0.011 0.000 1.181 523 A CA 1.564 53.607 52.037 0.011 0.000 0.620 523 A CB -0.827 18.181 19.000 0.013 0.000 0.821 523 A HN 0.389 nan 8.150 nan 0.000 0.443 524 V N 0.334 120.257 119.914 0.014 0.000 2.295 524 V HA -0.257 3.863 4.120 0.000 0.000 0.246 524 V C 2.569 178.670 176.094 0.011 0.000 1.049 524 V CA 1.952 64.262 62.300 0.016 0.000 1.024 524 V CB -0.829 31.009 31.823 0.025 0.000 0.648 524 V HN 0.556 nan 8.190 nan 0.000 0.447 525 L N -0.075 121.152 121.223 0.008 0.000 2.046 525 L HA -0.213 4.127 4.340 0.000 0.000 0.208 525 L C 2.627 179.498 176.870 0.002 0.000 1.077 525 L CA 2.104 56.946 54.840 0.003 0.000 0.747 525 L CB -0.642 41.415 42.059 -0.003 0.000 0.896 525 L HN 0.455 nan 8.230 nan 0.000 0.432 526 E N -0.086 120.115 120.200 0.003 0.000 2.085 526 E HA -0.227 4.123 4.350 0.000 0.000 0.194 526 E C 1.934 178.536 176.600 0.005 0.000 0.994 526 E CA 1.985 58.387 56.400 0.004 0.000 0.801 526 E CB 0.059 29.762 29.700 0.004 0.000 0.743 526 E HN 0.377 nan 8.360 nan 0.000 0.453 527 T N 1.270 115.827 114.554 0.005 0.000 2.737 527 T HA -0.092 4.258 4.350 0.000 0.000 0.265 527 T C 1.876 176.577 174.700 0.002 0.000 1.038 527 T CA 1.214 63.316 62.100 0.004 0.000 1.144 527 T CB -0.188 68.683 68.868 0.005 0.000 0.866 527 T HN 0.158 nan 8.240 nan 0.000 0.434 528 L N 0.760 121.982 121.223 -0.000 0.000 2.083 528 L HA -0.101 4.239 4.340 0.000 0.000 0.209 528 L C 2.786 179.654 176.870 -0.003 0.000 1.083 528 L CA 1.299 56.135 54.840 -0.007 0.000 0.752 528 L CB -0.482 41.572 42.059 -0.008 0.000 0.899 528 L HN 0.232 nan 8.230 nan 0.000 0.433 529 E N 0.514 120.715 120.200 0.002 0.000 2.150 529 E HA -0.163 4.187 4.350 0.000 0.000 0.193 529 E C 2.066 178.674 176.600 0.012 0.000 0.985 529 E CA 1.291 57.694 56.400 0.006 0.000 0.814 529 E CB -0.012 29.691 29.700 0.005 0.000 0.752 529 E HN 0.369 nan 8.360 nan 0.000 0.466 530 A N 0.508 123.334 122.820 0.012 0.000 1.898 530 A HA -0.105 4.216 4.320 0.000 0.000 0.216 530 A C 2.314 179.914 177.584 0.026 0.000 1.181 530 A CA 1.362 53.409 52.037 0.016 0.000 0.620 530 A CB -0.649 18.359 19.000 0.012 0.000 0.819 530 A HN 0.339 nan 8.150 nan 0.000 0.442 531 I N -1.019 119.564 120.570 0.021 0.000 2.163 531 I HA -0.283 3.887 4.170 0.000 0.000 0.243 531 I C 2.759 178.912 176.117 0.061 0.000 1.085 531 I CA 1.769 63.087 61.300 0.031 0.000 1.347 531 I CB -0.342 37.658 38.000 0.000 0.000 1.044 531 I HN 0.366 nan 8.210 nan 0.000 0.408 532 R N 0.441 120.964 120.500 0.038 0.000 2.083 532 R HA -0.173 4.168 4.340 0.000 0.000 0.237 532 R C 2.327 178.688 176.300 0.102 0.000 1.137 532 R CA 2.234 58.371 56.100 0.061 0.000 0.951 532 R CB -0.319 29.996 30.300 0.025 0.000 0.851 532 R HN 0.289 nan 8.270 nan 0.000 0.434 533 T N 0.565 115.155 114.554 0.060 0.000 2.684 533 T HA -0.149 4.201 4.350 0.000 0.000 0.267 533 T C 1.792 176.523 174.700 0.051 0.000 1.036 533 T CA 1.453 63.581 62.100 0.046 0.000 1.148 533 T CB -0.308 68.576 68.868 0.026 0.000 0.863 533 T HN 0.462 nan 8.240 nan 0.000 0.436 534 A N 0.793 123.650 122.820 0.062 0.000 1.902 534 A HA -0.014 4.306 4.320 0.000 0.000 0.217 534 A C 2.035 179.663 177.584 0.073 0.000 1.181 534 A CA 1.364 53.433 52.037 0.054 0.000 0.623 534 A CB -0.901 18.131 19.000 0.054 0.000 0.818 534 A HN 0.521 nan 8.150 nan 0.000 0.443 535 F N 1.089 121.027 119.950 -0.021 0.000 2.163 535 F HA -0.131 4.396 4.527 0.000 0.000 0.297 535 F C 2.027 177.809 175.800 -0.029 0.000 1.094 535 F CA 1.874 59.860 58.000 -0.023 0.000 1.290 535 F CB -0.145 38.841 39.000 -0.024 0.000 1.017 535 F HN 0.177 nan 8.300 nan 0.000 0.483 536 N N 0.734 119.500 118.700 0.111 0.000 2.106 536 N HA -0.089 4.651 4.740 0.000 0.000 0.188 536 N C 2.129 177.577 175.510 -0.103 0.000 1.029 536 N CA 1.410 54.457 53.050 -0.006 0.000 0.848 536 N CB -1.297 37.226 38.487 0.059 0.000 1.007 536 N HN 0.444 nan 8.380 nan 0.000 0.423 537 G N 0.181 108.944 108.800 -0.061 0.000 2.479 537 G HA2 -0.150 3.810 3.960 0.000 0.000 0.220 537 G HA3 -0.150 3.810 3.960 0.000 0.000 0.220 537 G C 1.288 176.126 174.900 -0.103 0.000 1.115 537 G CA 1.002 46.062 45.100 -0.066 0.000 0.757 537 G HN 0.447 nan 8.290 nan 0.000 0.560 538 A N -0.923 121.799 122.820 -0.164 0.000 2.275 538 A HA 0.326 4.646 4.320 0.000 0.000 0.212 538 A C 1.219 178.668 177.584 -0.224 0.000 1.201 538 A CA 0.118 52.047 52.037 -0.181 0.000 0.843 538 A CB 0.114 18.998 19.000 -0.194 0.000 0.873 538 A HN 0.306 nan 8.150 nan 0.000 0.492 539 Q N 0.797 120.444 119.800 -0.254 0.000 2.227 539 Q HA 0.433 4.773 4.340 0.000 0.000 0.245 539 Q C -0.313 175.607 176.000 -0.134 0.000 0.926 539 Q CA -0.186 55.474 55.803 -0.239 0.000 0.895 539 Q CB 1.107 29.678 28.738 -0.278 0.000 1.230 539 Q HN 0.398 nan 8.270 nan 0.000 0.450 540 R N -0.764 119.675 120.500 -0.102 0.000 2.856 540 R HA 0.602 4.942 4.340 0.000 0.000 0.258 540 R C 0.661 176.935 176.300 -0.043 0.000 1.066 540 R CA -0.350 55.713 56.100 -0.062 0.000 1.045 540 R CB 0.595 30.866 30.300 -0.048 0.000 1.178 540 R HN 0.868 nan 8.270 nan 0.000 0.499 541 G N -0.593 108.192 108.800 -0.025 0.000 2.148 541 G HA2 -0.259 3.702 3.960 0.000 0.000 0.254 541 G HA3 -0.259 3.702 3.960 0.000 0.000 0.254 541 G C 0.825 175.727 174.900 0.004 0.000 0.981 541 G CA 0.762 45.858 45.100 -0.007 0.000 0.670 541 G HN 1.300 nan 8.290 nan 0.000 0.528 542 G N -0.599 108.193 108.800 -0.012 0.000 2.162 542 G HA2 -0.295 3.665 3.960 0.000 0.000 0.260 542 G HA3 -0.295 3.665 3.960 0.000 0.000 0.260 542 G C 0.392 175.283 174.900 -0.014 0.000 0.976 542 G CA 1.461 46.558 45.100 -0.006 0.000 0.655 542 G HN 1.556 nan 8.290 nan 0.000 0.533 543 K N 0.817 121.210 120.400 -0.011 0.000 2.448 543 K HA 0.400 4.721 4.320 0.000 0.000 0.278 543 K C 0.608 177.151 176.600 -0.094 0.000 1.009 543 K CA 0.651 56.940 56.287 0.004 0.000 0.995 543 K CB 0.097 32.624 32.500 0.045 0.000 0.917 543 K HN 0.712 nan 8.250 nan 0.000 0.481 544 Q N 0.978 120.645 119.800 -0.223 0.000 2.630 544 Q HA 0.481 4.822 4.340 0.000 0.000 0.295 544 Q C -1.824 174.142 176.000 -0.057 0.000 0.944 544 Q CA -1.203 54.509 55.803 -0.152 0.000 0.766 544 Q CB 1.723 30.285 28.738 -0.293 0.000 1.471 544 Q HN 0.320 nan 8.270 nan 0.000 0.416 545 V N 1.531 121.494 119.914 0.082 0.000 2.555 545 V HA 0.590 4.710 4.120 0.000 0.000 0.302 545 V C -0.433 175.695 176.094 0.058 0.000 1.038 545 V CA -0.070 62.272 62.300 0.069 0.000 0.887 545 V CB 1.951 33.739 31.823 -0.058 0.000 0.991 545 V HN 0.942 nan 8.190 nan 0.000 0.434 546 S N 5.722 121.482 115.700 0.100 0.000 2.603 546 S HA 0.200 4.671 4.470 0.000 0.000 0.268 546 S C 0.890 175.517 174.600 0.045 0.000 1.317 546 S CA -0.185 58.064 58.200 0.082 0.000 1.012 546 S CB 1.299 64.559 63.200 0.100 0.000 0.926 546 S HN 0.843 nan 8.310 nan 0.000 0.539 547 L N 2.324 123.565 121.223 0.030 0.000 2.131 547 L HA 0.067 4.407 4.340 0.000 0.000 0.210 547 L C 2.569 179.450 176.870 0.018 0.000 1.092 547 L CA 2.231 57.079 54.840 0.014 0.000 0.759 547 L CB -1.489 40.575 42.059 0.007 0.000 0.903 547 L HN 0.965 nan 8.230 nan 0.000 0.435 548 A N -0.734 122.101 122.820 0.024 0.000 1.865 548 A HA -0.253 4.067 4.320 0.000 0.000 0.217 548 A C 2.054 179.672 177.584 0.057 0.000 1.191 548 A CA 2.012 54.063 52.037 0.023 0.000 0.623 548 A CB -0.913 18.093 19.000 0.011 0.000 0.826 548 A HN 0.491 nan 8.150 nan 0.000 0.444 549 D N -0.619 119.837 120.400 0.095 0.000 2.104 549 D HA -0.136 4.504 4.640 0.000 0.000 0.194 549 D C 1.820 178.200 176.300 0.133 0.000 0.994 549 D CA 1.346 55.474 54.000 0.214 0.000 0.830 549 D CB -0.385 40.571 40.800 0.261 0.000 0.959 549 D HN 0.321 nan 8.370 nan 0.000 0.452 550 L N 0.532 121.767 121.223 0.020 0.000 2.141 550 L HA -0.047 4.293 4.340 0.000 0.000 0.209 550 L C 2.063 178.905 176.870 -0.047 0.000 1.094 550 L CA 1.129 55.925 54.840 -0.074 0.000 0.763 550 L CB -0.355 41.656 42.059 -0.080 0.000 0.908 550 L HN 0.007 nan 8.230 nan 0.000 0.437 551 I N -1.838 118.734 120.570 0.003 0.000 2.179 551 I HA -0.280 3.890 4.170 0.000 0.000 0.242 551 I C 2.284 178.433 176.117 0.052 0.000 1.088 551 I CA 1.184 62.497 61.300 0.022 0.000 1.357 551 I CB -0.302 37.711 38.000 0.021 0.000 1.051 551 I HN 0.046 nan 8.210 nan 0.000 0.409 552 V N 0.495 120.456 119.914 0.078 0.000 2.295 552 V HA -0.279 3.842 4.120 0.000 0.000 0.246 552 V C 2.371 178.538 176.094 0.121 0.000 1.049 552 V CA 1.714 64.097 62.300 0.138 0.000 1.024 552 V CB -0.588 31.354 31.823 0.198 0.000 0.648 552 V HN 0.362 nan 8.190 nan 0.000 0.447 553 L N 0.818 121.978 121.223 -0.105 0.000 2.083 553 L HA -0.099 4.241 4.340 0.000 0.000 0.209 553 L C 2.416 179.174 176.870 -0.186 0.000 1.083 553 L CA 2.287 56.841 54.840 -0.477 0.000 0.752 553 L CB -0.897 40.573 42.059 -0.983 0.000 0.899 553 L HN 0.234 nan 8.230 nan 0.000 0.433 554 A N -0.645 122.119 122.820 -0.094 0.000 1.902 554 A HA -0.059 4.261 4.320 0.000 0.000 0.217 554 A C 2.358 179.970 177.584 0.046 0.000 1.181 554 A CA 1.456 53.472 52.037 -0.035 0.000 0.623 554 A CB -1.541 17.448 19.000 -0.017 0.000 0.818 554 A HN 0.511 nan 8.150 nan 0.000 0.443 555 G N -0.747 108.144 108.800 0.153 0.000 2.440 555 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 555 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 555 G C 1.569 176.625 174.900 0.260 0.000 1.154 555 G CA 1.351 46.642 45.100 0.317 0.000 0.767 555 G HN 0.533 nan 8.290 nan 0.000 0.552 556 C N 0.966 120.434 119.300 0.280 0.000 2.425 556 C HA 0.176 4.637 4.460 0.000 0.000 0.277 556 C C 3.515 178.515 174.990 0.017 0.000 1.280 556 C CA 0.669 59.798 59.018 0.186 0.000 1.744 556 C CB -1.003 26.852 27.740 0.191 0.000 1.989 556 C HN 0.572 nan 8.230 nan 0.000 0.491 557 A N 0.923 123.733 122.820 -0.017 0.000 1.933 557 A HA 0.086 4.406 4.320 0.000 0.000 0.218 557 A C 2.400 179.954 177.584 -0.050 0.000 1.175 557 A CA 1.989 54.000 52.037 -0.043 0.000 0.628 557 A CB -1.117 17.849 19.000 -0.056 0.000 0.814 557 A HN 0.546 nan 8.150 nan 0.000 0.444 558 G N -0.644 108.125 108.800 -0.053 0.000 2.402 558 G HA2 -0.080 3.880 3.960 0.000 0.000 0.216 558 G HA3 -0.080 3.880 3.960 0.000 0.000 0.216 558 G C 1.485 176.297 174.900 -0.147 0.000 1.162 558 G CA 1.210 46.260 45.100 -0.083 0.000 0.777 558 G HN 0.308 nan 8.290 nan 0.000 0.539 559 V N 0.713 120.493 119.914 -0.223 0.000 2.358 559 V HA -0.138 3.982 4.120 0.000 0.000 0.246 559 V C 2.659 178.670 176.094 -0.138 0.000 1.047 559 V CA 2.022 64.160 62.300 -0.271 0.000 1.035 559 V CB -0.473 31.078 31.823 -0.453 0.000 0.658 559 V HN 0.454 nan 8.190 nan 0.000 0.452 560 E N -0.155 119.995 120.200 -0.085 0.000 2.085 560 E HA -0.336 4.014 4.350 0.000 0.000 0.194 560 E C 2.255 178.833 176.600 -0.037 0.000 0.994 560 E CA 1.665 58.041 56.400 -0.039 0.000 0.801 560 E CB -0.154 29.533 29.700 -0.021 0.000 0.743 560 E HN 0.507 nan 8.360 nan 0.000 0.453 561 Q N 0.828 120.598 119.800 -0.049 0.000 2.079 561 Q HA -0.110 4.231 4.340 0.000 0.000 0.200 561 Q C 1.945 177.917 176.000 -0.046 0.000 0.974 561 Q CA 1.827 57.605 55.803 -0.042 0.000 0.840 561 Q CB -0.361 28.351 28.738 -0.043 0.000 0.898 561 Q HN 0.244 nan 8.270 nan 0.000 0.430 562 A N 0.319 123.095 122.820 -0.073 0.000 1.902 562 A HA -0.079 4.242 4.320 0.000 0.000 0.217 562 A C 2.298 179.855 177.584 -0.045 0.000 1.181 562 A CA 1.997 53.986 52.037 -0.081 0.000 0.623 562 A CB -1.212 17.702 19.000 -0.144 0.000 0.818 562 A HN 0.523 nan 8.150 nan 0.000 0.443 563 A N -0.340 122.460 122.820 -0.033 0.000 1.902 563 A HA -0.170 4.150 4.320 0.000 0.000 0.217 563 A C 2.129 179.743 177.584 0.050 0.000 1.181 563 A CA 2.031 54.089 52.037 0.035 0.000 0.623 563 A CB -0.451 18.575 19.000 0.043 0.000 0.818 563 A HN 0.567 nan 8.150 nan 0.000 0.443 564 K N -0.279 120.128 120.400 0.011 0.000 2.057 564 K HA -0.185 4.135 4.320 0.000 0.000 0.207 564 K C 1.549 178.134 176.600 -0.025 0.000 1.049 564 K CA 1.542 57.825 56.287 -0.007 0.000 0.931 564 K CB -0.214 32.279 32.500 -0.012 0.000 0.714 564 K HN 0.398 nan 8.250 nan 0.000 0.440 565 N N 0.439 119.126 118.700 -0.022 0.000 2.334 565 N HA -0.163 4.577 4.740 0.000 0.000 0.187 565 N C 1.123 176.619 175.510 -0.024 0.000 1.016 565 N CA 1.330 54.366 53.050 -0.024 0.000 0.879 565 N CB -0.127 38.346 38.487 -0.023 0.000 0.965 565 N HN 0.313 nan 8.380 nan 0.000 0.438 566 A N -0.950 121.864 122.820 -0.011 0.000 2.348 566 A HA 0.507 4.827 4.320 0.000 0.000 0.224 566 A C 1.319 178.821 177.584 -0.137 0.000 1.227 566 A CA 0.572 52.614 52.037 0.008 0.000 0.885 566 A CB 0.095 19.170 19.000 0.125 0.000 0.933 566 A HN 0.252 nan 8.150 nan 0.000 0.506 567 G N -0.534 108.140 108.800 -0.209 0.000 2.131 567 G HA2 -0.137 3.823 3.960 0.000 0.000 0.201 567 G HA3 -0.137 3.823 3.960 0.000 0.000 0.201 567 G C -0.274 174.255 174.900 -0.618 0.000 1.000 567 G CA 0.073 44.944 45.100 -0.382 0.000 0.680 567 G HN 0.652 nan 8.290 nan 0.000 0.514 568 H N -0.353 118.725 119.070 0.014 0.000 2.600 568 H HA 0.700 5.256 4.556 0.001 0.000 0.357 568 H C 0.094 175.428 175.328 0.010 0.000 1.106 568 H CA -0.005 56.054 56.048 0.018 0.000 1.193 568 H CB 1.946 31.726 29.762 0.029 0.000 1.594 568 H HN 0.590 nan 8.280 nan 0.000 0.526 569 A N 3.014 125.909 122.820 0.126 0.000 2.260 569 A HA 0.580 4.900 4.320 0.000 0.000 0.308 569 A C 0.105 177.733 177.584 0.073 0.000 1.254 569 A CA -0.543 51.537 52.037 0.071 0.000 0.874 569 A CB 0.075 19.104 19.000 0.048 0.000 1.153 569 A HN 0.469 nan 8.150 nan 0.000 0.527 570 V N 0.240 120.187 119.914 0.055 0.000 3.049 570 V HA 0.903 5.023 4.120 0.000 0.000 0.309 570 V C -0.280 175.836 176.094 0.036 0.000 1.148 570 V CA -0.449 61.878 62.300 0.045 0.000 0.990 570 V CB 1.596 33.444 31.823 0.043 0.000 1.039 570 V HN 0.972 nan 8.190 nan 0.000 0.430 571 T N 0.253 114.830 114.554 0.038 0.000 2.771 571 T HA 0.723 5.073 4.350 0.000 0.000 0.281 571 T C -0.312 174.422 174.700 0.056 0.000 0.982 571 T CA -0.632 61.494 62.100 0.042 0.000 0.978 571 T CB 1.242 70.135 68.868 0.042 0.000 0.930 571 T HN 0.846 nan 8.240 nan 0.000 0.447 572 V N 5.698 125.653 119.914 0.069 0.000 2.461 572 V HA 0.316 4.436 4.120 0.000 0.000 0.275 572 V C -1.982 174.193 176.094 0.135 0.000 1.047 572 V CA -1.841 60.524 62.300 0.108 0.000 0.955 572 V CB 0.678 32.579 31.823 0.131 0.000 0.988 572 V HN 0.782 nan 8.190 nan 0.000 0.471 573 P HA 0.253 nan 4.420 nan 0.000 0.269 573 P C -1.030 176.390 177.300 0.200 0.000 1.215 573 P CA -0.002 63.168 63.100 0.117 0.000 0.780 573 P CB 0.331 32.064 31.700 0.055 0.000 0.898 574 F N 1.018 120.971 119.950 0.004 0.000 2.604 574 F HA 0.629 5.157 4.527 0.000 0.000 0.316 574 F C -1.665 174.119 175.800 -0.026 0.000 1.136 574 F CA -0.823 57.172 58.000 -0.008 0.000 0.989 574 F CB 1.310 40.313 39.000 0.005 0.000 1.258 574 F HN 0.374 nan 8.300 nan 0.000 0.451 575 A N 7.749 129.967 122.820 -1.003 0.000 2.311 575 A HA 0.779 5.099 4.320 0.000 0.000 0.306 575 A C -2.895 174.049 177.584 -1.067 0.000 1.189 575 A CA -1.631 49.948 52.037 -0.764 0.000 0.791 575 A CB 0.627 19.371 19.000 -0.427 0.000 1.172 575 A HN 0.467 nan 8.150 nan 0.000 0.481 576 P HA 0.543 nan 4.420 nan 0.000 0.277 576 P C 0.715 177.896 177.300 -0.199 0.000 1.271 576 P CA 0.799 63.693 63.100 -0.344 0.000 0.795 576 P CB 1.154 32.864 31.700 0.018 0.000 1.101 577 G N -1.089 107.660 108.800 -0.086 0.000 2.273 577 G HA2 -0.128 3.832 3.960 0.000 0.000 0.162 577 G HA3 -0.128 3.832 3.960 0.000 0.000 0.162 577 G C 0.194 175.051 174.900 -0.071 0.000 1.006 577 G CA -0.547 44.503 45.100 -0.084 0.000 0.704 577 G HN 0.508 nan 8.290 nan 0.000 0.487 578 R N 0.661 121.130 120.500 -0.052 0.000 2.641 578 R HA 0.650 4.990 4.340 0.000 0.000 0.269 578 R C 0.478 176.777 176.300 -0.002 0.000 1.074 578 R CA 0.701 56.780 56.100 -0.035 0.000 1.133 578 R CB 0.952 31.237 30.300 -0.024 0.000 1.029 578 R HN 0.490 nan 8.270 nan 0.000 0.488 579 A N 1.448 124.263 122.820 -0.008 0.000 2.387 579 A HA 0.413 4.734 4.320 0.000 0.000 0.303 579 A C -1.257 176.333 177.584 0.010 0.000 1.145 579 A CA -0.902 51.142 52.037 0.011 0.000 0.801 579 A CB 1.257 20.253 19.000 -0.008 0.000 1.342 579 A HN 0.598 nan 8.150 nan 0.000 0.440 580 D N 1.067 121.478 120.400 0.019 0.000 2.233 580 D HA 0.534 5.174 4.640 0.000 0.000 0.240 580 D C 0.088 176.387 176.300 -0.000 0.000 1.074 580 D CA 0.329 54.334 54.000 0.009 0.000 0.838 580 D CB 1.734 42.544 40.800 0.015 0.000 1.124 580 D HN 0.703 nan 8.370 nan 0.000 0.475 581 A N 1.842 124.656 122.820 -0.009 0.000 2.302 581 A HA 0.549 4.869 4.320 0.000 0.000 0.285 581 A C 0.600 178.176 177.584 -0.013 0.000 1.105 581 A CA -0.535 51.494 52.037 -0.013 0.000 0.816 581 A CB 0.572 19.561 19.000 -0.017 0.000 1.067 581 A HN 0.523 nan 8.150 nan 0.000 0.489 582 S N 0.266 115.960 115.700 -0.011 0.000 2.693 582 S HA 0.294 4.764 4.470 0.000 0.000 0.276 582 S C 0.829 175.422 174.600 -0.012 0.000 1.192 582 S CA 0.014 58.209 58.200 -0.010 0.000 0.994 582 S CB 1.124 64.321 63.200 -0.005 0.000 1.012 582 S HN 0.727 nan 8.310 nan 0.000 0.550 583 Q N 0.517 120.310 119.800 -0.011 0.000 2.124 583 Q HA -0.100 4.241 4.340 0.000 0.000 0.202 583 Q C 1.496 177.495 176.000 -0.001 0.000 0.977 583 Q CA 1.984 57.781 55.803 -0.011 0.000 0.850 583 Q CB -0.512 28.220 28.738 -0.010 0.000 0.901 583 Q HN 0.856 nan 8.270 nan 0.000 0.429 584 E N -0.078 120.123 120.200 0.001 0.000 2.338 584 E HA -0.122 4.229 4.350 0.000 0.000 0.197 584 E C 0.853 177.457 176.600 0.007 0.000 1.007 584 E CA 0.826 57.230 56.400 0.007 0.000 0.849 584 E CB 0.087 29.791 29.700 0.007 0.000 0.774 584 E HN 0.523 nan 8.360 nan 0.000 0.506 585 Q N -0.270 119.530 119.800 0.000 0.000 2.222 585 Q HA 0.169 4.509 4.340 0.000 0.000 0.206 585 Q C -0.434 175.567 176.000 0.001 0.000 0.877 585 Q CA 0.212 56.013 55.803 -0.004 0.000 0.958 585 Q CB 0.845 29.574 28.738 -0.014 0.000 1.075 585 Q HN -0.063 nan 8.270 nan 0.000 0.483 586 T N 1.043 115.603 114.554 0.010 0.000 2.864 586 T HA 0.088 4.438 4.350 0.000 0.000 0.299 586 T C -1.124 173.597 174.700 0.036 0.000 1.011 586 T CA -0.687 61.423 62.100 0.016 0.000 0.975 586 T CB 1.327 70.194 68.868 -0.003 0.000 0.962 586 T HN 0.016 nan 8.240 nan 0.000 0.448 587 D N 3.521 123.958 120.400 0.060 0.000 2.352 587 D HA 0.120 4.760 4.640 0.000 0.000 0.245 587 D C 1.200 177.550 176.300 0.084 0.000 1.224 587 D CA -0.241 53.808 54.000 0.082 0.000 0.879 587 D CB 1.182 42.052 40.800 0.117 0.000 1.057 587 D HN 0.196 nan 8.370 nan 0.000 0.491 588 V N 4.554 124.510 119.914 0.071 0.000 2.515 588 V HA -0.181 3.939 4.120 0.000 0.000 0.250 588 V C 2.132 178.292 176.094 0.109 0.000 1.058 588 V CA 1.385 63.729 62.300 0.074 0.000 1.064 588 V CB -0.202 31.654 31.823 0.055 0.000 0.675 588 V HN 0.563 nan 8.190 nan 0.000 0.461 589 E N -0.151 120.113 120.200 0.107 0.000 2.107 589 E HA -0.143 4.207 4.350 0.000 0.000 0.191 589 E C 2.405 179.083 176.600 0.130 0.000 0.982 589 E CA 1.399 57.868 56.400 0.115 0.000 0.809 589 E CB -0.567 29.194 29.700 0.101 0.000 0.756 589 E HN 0.565 nan 8.360 nan 0.000 0.459 590 S N 0.678 116.459 115.700 0.135 0.000 2.423 590 S HA -0.128 4.342 4.470 0.000 0.000 0.231 590 S C 1.916 176.612 174.600 0.160 0.000 1.014 590 S CA 0.848 59.136 58.200 0.148 0.000 0.965 590 S CB -0.088 63.210 63.200 0.164 0.000 0.785 590 S HN 0.084 nan 8.310 nan 0.000 0.495 591 M N 1.661 121.364 119.600 0.171 0.000 2.460 591 M HA 0.275 4.755 4.480 0.000 0.000 0.263 591 M C 1.835 178.334 176.300 0.332 0.000 1.071 591 M CA 1.089 56.525 55.300 0.227 0.000 1.096 591 M CB -0.723 31.985 32.600 0.180 0.000 1.408 591 M HN 0.379 nan 8.290 nan 0.000 0.463 592 A N -0.534 122.441 122.820 0.257 0.000 1.972 592 A HA -0.099 4.221 4.320 0.000 0.000 0.219 592 A C 2.025 179.664 177.584 0.091 0.000 1.169 592 A CA 1.795 53.972 52.037 0.233 0.000 0.635 592 A CB -1.439 17.659 19.000 0.163 0.000 0.810 592 A HN 0.589 nan 8.150 nan 0.000 0.446 593 V N -2.477 117.484 119.914 0.078 0.000 3.141 593 V HA -0.020 4.100 4.120 0.000 0.000 0.265 593 V C 1.831 177.905 176.094 -0.034 0.000 1.126 593 V CA 1.456 63.758 62.300 0.004 0.000 1.141 593 V CB -0.828 31.002 31.823 0.012 0.000 0.743 593 V HN 0.456 nan 8.190 nan 0.000 0.492 594 L N 0.210 121.453 121.223 0.034 0.000 2.554 594 L HA 0.219 4.560 4.340 0.000 0.000 0.226 594 L C 1.367 178.060 176.870 -0.296 0.000 1.137 594 L CA 0.314 55.166 54.840 0.020 0.000 0.863 594 L CB -0.287 41.912 42.059 0.234 0.000 0.985 594 L HN 0.441 nan 8.230 nan 0.000 0.451 595 E N 3.245 123.019 120.200 -0.709 0.000 2.417 595 E HA 0.027 4.378 4.350 0.000 0.000 0.261 595 E C -2.066 174.146 176.600 -0.646 0.000 1.000 595 E CA -1.661 53.843 56.400 -1.494 0.000 0.919 595 E CB 0.692 29.557 29.700 -1.392 0.000 0.955 595 E HN -0.022 nan 8.360 nan 0.000 0.455 596 P HA -0.021 nan 4.420 nan 0.000 0.276 596 P C 0.326 177.641 177.300 0.025 0.000 1.253 596 P CA 0.003 63.038 63.100 -0.109 0.000 0.766 596 P CB 1.159 32.877 31.700 0.029 0.000 0.845 597 V N 0.456 120.396 119.914 0.044 0.000 3.661 597 V HA 0.616 4.737 4.120 0.000 0.000 0.271 597 V C 0.568 176.741 176.094 0.131 0.000 1.315 597 V CA 0.332 62.713 62.300 0.136 0.000 1.072 597 V CB -0.256 31.593 31.823 0.043 0.000 0.830 597 V HN 0.522 nan 8.190 nan 0.000 0.443 598 A N 0.711 123.595 122.820 0.108 0.000 2.385 598 A HA 0.726 5.046 4.320 0.000 0.000 0.290 598 A C -1.563 176.139 177.584 0.198 0.000 1.094 598 A CA -0.116 51.992 52.037 0.118 0.000 0.729 598 A CB 1.437 20.450 19.000 0.022 0.000 1.194 598 A HN 0.238 nan 8.150 nan 0.000 0.442 599 D N 2.485 123.069 120.400 0.307 0.000 2.375 599 D HA 0.399 5.039 4.640 0.000 0.000 0.259 599 D C 1.263 177.714 176.300 0.252 0.000 1.235 599 D CA 0.382 54.590 54.000 0.346 0.000 0.924 599 D CB 1.020 42.092 40.800 0.454 0.000 1.143 599 D HN 0.501 nan 8.370 nan 0.000 0.529 600 G N 1.511 110.357 108.800 0.076 0.000 2.479 600 G HA2 -0.251 3.710 3.960 0.000 0.000 0.220 600 G HA3 -0.251 3.710 3.960 0.000 0.000 0.220 600 G C 1.165 175.957 174.900 -0.180 0.000 1.115 600 G CA 0.416 45.456 45.100 -0.100 0.000 0.757 600 G HN 0.496 nan 8.290 nan 0.000 0.560 601 F N -0.056 119.928 119.950 0.056 0.000 2.502 601 F HA 0.194 4.721 4.527 0.000 0.000 0.298 601 F C 2.544 178.215 175.800 -0.214 0.000 1.111 601 F CA 0.639 58.548 58.000 -0.152 0.000 1.445 601 F CB 0.290 39.130 39.000 -0.266 0.000 1.081 601 F HN -0.010 nan 8.300 nan 0.000 0.558 602 R N -0.161 120.414 120.500 0.125 0.000 2.546 602 R HA 0.102 4.442 4.340 0.000 0.000 0.320 602 R C 0.001 176.380 176.300 0.131 0.000 1.021 602 R CA -0.189 55.971 56.100 0.099 0.000 1.088 602 R CB -0.094 30.325 30.300 0.197 0.000 1.278 602 R HN -0.039 nan 8.270 nan 0.000 0.557 603 N N 1.128 119.884 118.700 0.093 0.000 2.716 603 N HA -0.281 4.460 4.740 0.000 0.000 0.250 603 N C -1.522 174.108 175.510 0.201 0.000 1.033 603 N CA 1.024 54.142 53.050 0.112 0.000 0.727 603 N CB -0.911 37.634 38.487 0.097 0.000 0.950 603 N HN 0.361 nan 8.380 nan 0.000 0.541 604 Y N -0.011 120.341 120.300 0.085 0.000 2.364 604 Y HA 0.662 5.212 4.550 0.000 0.000 0.340 604 Y C -0.750 175.212 175.900 0.104 0.000 0.975 604 Y CA -0.870 57.289 58.100 0.099 0.000 1.089 604 Y CB 1.033 39.565 38.460 0.119 0.000 1.192 604 Y HN 0.106 nan 8.280 nan 0.000 0.454 605 L N 7.513 128.389 121.223 -0.579 0.000 2.406 605 L HA 0.391 4.732 4.340 0.000 0.000 0.272 605 L C 0.670 177.076 176.870 -0.772 0.000 0.980 605 L CA -0.636 53.908 54.840 -0.494 0.000 0.831 605 L CB 2.192 44.134 42.059 -0.195 0.000 1.253 605 L HN 0.718 nan 8.230 nan 0.000 0.406 606 K N 1.897 121.897 120.400 -0.666 0.000 2.155 606 K HA 0.108 4.429 4.320 0.000 0.000 0.203 606 K C 0.652 177.102 176.600 -0.251 0.000 1.052 606 K CA 1.115 57.174 56.287 -0.380 0.000 0.948 606 K CB 0.339 32.839 32.500 0.000 0.000 0.728 606 K HN 0.805 nan 8.250 nan 0.000 0.448 607 G N -0.441 108.102 108.800 -0.429 0.000 2.749 607 G HA2 0.284 4.244 3.960 0.000 0.000 0.300 607 G HA3 0.284 4.244 3.960 0.000 0.000 0.300 607 G C -1.615 172.746 174.900 -0.898 0.000 1.352 607 G CA -0.769 43.993 45.100 -0.563 0.000 0.789 607 G HN -0.081 nan 8.290 nan 0.000 0.509 608 K N 0.474 120.483 120.400 -0.652 0.000 2.227 608 K HA 0.418 4.738 4.320 0.000 0.000 0.280 608 K C -1.243 175.031 176.600 -0.543 0.000 1.041 608 K CA 0.003 55.988 56.287 -0.504 0.000 0.905 608 K CB 1.049 33.407 32.500 -0.236 0.000 1.068 608 K HN 0.495 nan 8.250 nan 0.000 0.470 609 Y N 0.540 120.808 120.300 -0.054 0.000 2.598 609 Y HA 0.355 4.906 4.550 0.000 0.000 0.340 609 Y C 1.197 177.067 175.900 -0.049 0.000 1.038 609 Y CA -1.231 56.836 58.100 -0.054 0.000 1.100 609 Y CB 1.191 39.611 38.460 -0.067 0.000 1.281 609 Y HN 0.282 nan 8.280 nan 0.000 0.488 610 R N 0.503 121.077 120.500 0.125 0.000 2.388 610 R HA 0.242 4.582 4.340 0.000 0.000 0.247 610 R C -1.008 175.301 176.300 0.015 0.000 0.931 610 R CA -0.148 55.979 56.100 0.045 0.000 1.082 610 R CB -0.340 29.975 30.300 0.025 0.000 1.135 610 R HN 0.312 nan 8.270 nan 0.000 0.525 611 V N 2.921 122.850 119.914 0.025 0.000 2.398 611 V HA 0.306 4.427 4.120 0.000 0.000 0.286 611 V C -2.098 174.002 176.094 0.009 0.000 1.026 611 V CA -2.205 60.079 62.300 -0.026 0.000 0.868 611 V CB 1.813 33.579 31.823 -0.096 0.000 0.982 611 V HN 0.002 nan 8.190 nan 0.000 0.443 612 P HA 0.124 nan 4.420 nan 0.000 0.267 612 P C 0.631 177.931 177.300 -0.001 0.000 1.200 612 P CA -0.009 63.094 63.100 0.005 0.000 0.772 612 P CB 0.747 32.445 31.700 -0.004 0.000 0.855 613 A N 3.196 126.024 122.820 0.013 0.000 1.972 613 A HA -0.185 4.135 4.320 0.000 0.000 0.219 613 A C 1.835 179.400 177.584 -0.032 0.000 1.169 613 A CA 1.416 53.458 52.037 0.009 0.000 0.635 613 A CB -0.871 18.142 19.000 0.022 0.000 0.810 613 A HN 0.693 nan 8.150 nan 0.000 0.446 614 E N 0.263 120.431 120.200 -0.052 0.000 2.208 614 E HA -0.094 4.257 4.350 0.000 0.000 0.193 614 E C 1.768 178.301 176.600 -0.113 0.000 0.988 614 E CA 1.477 57.813 56.400 -0.105 0.000 0.828 614 E CB -0.764 28.855 29.700 -0.134 0.000 0.763 614 E HN 0.333 nan 8.360 nan 0.000 0.478 615 V N 1.881 121.745 119.914 -0.085 0.000 2.379 615 V HA -0.196 3.924 4.120 0.000 0.000 0.245 615 V C 2.646 178.686 176.094 -0.090 0.000 1.044 615 V CA 1.259 63.506 62.300 -0.089 0.000 1.036 615 V CB -0.511 31.263 31.823 -0.082 0.000 0.664 615 V HN 0.194 nan 8.190 nan 0.000 0.453 616 L N -0.643 120.533 121.223 -0.079 0.000 2.131 616 L HA -0.186 4.154 4.340 0.000 0.000 0.210 616 L C 2.453 179.292 176.870 -0.052 0.000 1.092 616 L CA 1.223 56.018 54.840 -0.074 0.000 0.759 616 L CB -0.622 41.399 42.059 -0.063 0.000 0.903 616 L HN 0.347 nan 8.230 nan 0.000 0.435 617 L N -0.390 120.789 121.223 -0.073 0.000 2.017 617 L HA -0.169 4.171 4.340 0.000 0.000 0.208 617 L C 2.383 179.219 176.870 -0.055 0.000 1.073 617 L CA 1.637 56.414 54.840 -0.104 0.000 0.745 617 L CB -0.307 41.645 42.059 -0.179 0.000 0.894 617 L HN -0.093 nan 8.230 nan 0.000 0.432 618 V N -0.088 119.781 119.914 -0.075 0.000 2.427 618 V HA -0.290 3.830 4.120 0.000 0.000 0.248 618 V C 2.297 178.378 176.094 -0.022 0.000 1.051 618 V CA 1.856 64.123 62.300 -0.055 0.000 1.048 618 V CB -0.793 30.966 31.823 -0.107 0.000 0.666 618 V HN 0.599 nan 8.190 nan 0.000 0.456 619 D N 0.418 120.795 120.400 -0.039 0.000 2.106 619 D HA -0.262 4.379 4.640 0.000 0.000 0.191 619 D C 2.125 178.436 176.300 0.019 0.000 0.997 619 D CA 1.779 55.758 54.000 -0.035 0.000 0.834 619 D CB -0.132 40.626 40.800 -0.069 0.000 0.956 619 D HN 0.263 nan 8.370 nan 0.000 0.448 620 K N 0.383 120.823 120.400 0.067 0.000 2.063 620 K HA -0.026 4.294 4.320 0.000 0.000 0.208 620 K C 1.876 178.622 176.600 0.243 0.000 1.048 620 K CA 1.704 58.090 56.287 0.166 0.000 0.928 620 K CB -0.864 31.792 32.500 0.260 0.000 0.713 620 K HN 0.151 nan 8.250 nan 0.000 0.442 621 A N 0.691 123.679 122.820 0.280 0.000 1.933 621 A HA -0.204 4.116 4.320 0.000 0.000 0.218 621 A C 2.232 179.905 177.584 0.148 0.000 1.175 621 A CA 1.697 53.913 52.037 0.299 0.000 0.628 621 A CB -0.636 18.539 19.000 0.291 0.000 0.814 621 A HN 0.489 nan 8.150 nan 0.000 0.444 622 Q N -0.109 119.737 119.800 0.078 0.000 2.079 622 Q HA -0.098 4.243 4.340 0.000 0.000 0.200 622 Q C 2.072 178.104 176.000 0.053 0.000 0.974 622 Q CA 1.434 57.256 55.803 0.033 0.000 0.840 622 Q CB -0.296 28.431 28.738 -0.018 0.000 0.898 622 Q HN 0.723 nan 8.270 nan 0.000 0.430 623 L N 0.295 121.549 121.223 0.051 0.000 2.131 623 L HA -0.169 4.171 4.340 0.000 0.000 0.210 623 L C 2.248 179.181 176.870 0.105 0.000 1.092 623 L CA 0.741 55.604 54.840 0.039 0.000 0.759 623 L CB -0.289 41.773 42.059 0.005 0.000 0.903 623 L HN 0.188 nan 8.230 nan 0.000 0.435 624 L N -0.278 121.025 121.223 0.132 0.000 2.599 624 L HA -0.010 4.330 4.340 0.000 0.000 0.230 624 L C 1.211 178.163 176.870 0.136 0.000 1.141 624 L CA 0.641 55.571 54.840 0.150 0.000 0.877 624 L CB -0.570 41.529 42.059 0.066 0.000 1.009 624 L HN 0.541 nan 8.230 nan 0.000 0.447 625 T N -2.835 111.800 114.554 0.137 0.000 4.331 625 T HA -0.244 4.107 4.350 0.000 0.000 0.323 625 T C 0.013 174.764 174.700 0.086 0.000 0.836 625 T CA 0.514 62.685 62.100 0.119 0.000 1.985 625 T CB -2.672 66.286 68.868 0.149 0.000 1.919 625 T HN 0.194 nan 8.240 nan 0.000 0.905 626 L N 1.925 123.200 121.223 0.086 0.000 2.350 626 L HA 0.604 4.945 4.340 0.000 0.000 0.275 626 L C 1.413 178.344 176.870 0.101 0.000 1.099 626 L CA -0.464 54.431 54.840 0.092 0.000 0.808 626 L CB 1.313 43.446 42.059 0.124 0.000 1.149 626 L HN 0.586 nan 8.230 nan 0.000 0.442 627 S N 1.599 117.381 115.700 0.136 0.000 2.608 627 S HA 0.290 4.760 4.470 0.000 0.000 0.261 627 S C 1.129 175.867 174.600 0.230 0.000 1.314 627 S CA -0.130 58.199 58.200 0.215 0.000 0.992 627 S CB 1.418 64.781 63.200 0.272 0.000 0.935 627 S HN 0.701 nan 8.310 nan 0.000 0.564 628 A N 1.249 124.289 122.820 0.365 0.000 1.883 628 A HA 0.067 4.387 4.320 0.000 0.000 0.217 628 A C -0.331 177.435 177.584 0.304 0.000 1.186 628 A CA 1.528 53.743 52.037 0.296 0.000 0.624 628 A CB -2.204 16.995 19.000 0.333 0.000 0.822 628 A HN 0.739 nan 8.150 nan 0.000 0.444 629 P HA -0.137 nan 4.420 nan 0.000 0.216 629 P C 1.121 178.557 177.300 0.228 0.000 1.150 629 P CA 1.462 64.727 63.100 0.274 0.000 0.837 629 P CB -0.070 31.762 31.700 0.220 0.000 0.786 630 E N -0.891 119.419 120.200 0.184 0.000 2.072 630 E HA -0.164 4.186 4.350 0.000 0.000 0.191 630 E C 2.007 178.698 176.600 0.153 0.000 0.985 630 E CA 0.973 57.444 56.400 0.119 0.000 0.801 630 E CB -0.541 29.212 29.700 0.089 0.000 0.750 630 E HN 0.221 nan 8.360 nan 0.000 0.452 631 M N 0.718 120.464 119.600 0.243 0.000 2.117 631 M HA -0.168 4.312 4.480 0.000 0.000 0.262 631 M C 1.939 178.445 176.300 0.344 0.000 1.065 631 M CA 1.526 57.059 55.300 0.388 0.000 1.114 631 M CB -0.093 32.748 32.600 0.400 0.000 1.361 631 M HN 0.001 nan 8.290 nan 0.000 0.408 632 T N 0.644 115.378 114.554 0.299 0.000 2.674 632 T HA -0.116 4.234 4.350 0.000 0.000 0.265 632 T C 1.771 176.545 174.700 0.123 0.000 1.039 632 T CA 1.833 64.062 62.100 0.214 0.000 1.150 632 T CB -0.460 68.630 68.868 0.369 0.000 0.864 632 T HN 0.296 nan 8.240 nan 0.000 0.427 633 V N 1.600 121.518 119.914 0.006 0.000 2.343 633 V HA -0.112 4.008 4.120 0.000 0.000 0.247 633 V C 2.402 178.612 176.094 0.193 0.000 1.051 633 V CA 1.306 63.554 62.300 -0.086 0.000 1.036 633 V CB -0.724 30.865 31.823 -0.391 0.000 0.654 633 V HN 0.300 nan 8.190 nan 0.000 0.451 634 L N -0.363 120.938 121.223 0.130 0.000 2.027 634 L HA -0.081 4.259 4.340 0.000 0.000 0.206 634 L C 2.187 179.169 176.870 0.187 0.000 1.074 634 L CA 1.741 56.665 54.840 0.141 0.000 0.745 634 L CB -0.553 41.501 42.059 -0.010 0.000 0.898 634 L HN 0.265 nan 8.230 nan 0.000 0.433 635 L N -0.842 120.457 121.223 0.126 0.000 2.046 635 L HA -0.057 4.284 4.340 0.000 0.000 0.208 635 L C 2.292 178.832 176.870 -0.551 0.000 1.077 635 L CA 1.711 56.456 54.840 -0.160 0.000 0.747 635 L CB -0.912 40.913 42.059 -0.391 0.000 0.896 635 L HN 0.377 nan 8.230 nan 0.000 0.432 636 G N -1.203 107.218 108.800 -0.632 0.000 2.432 636 G HA2 -0.199 3.761 3.960 0.000 0.000 0.219 636 G HA3 -0.199 3.761 3.960 0.000 0.000 0.219 636 G C 1.418 176.098 174.900 -0.367 0.000 1.135 636 G CA 0.592 45.096 45.100 -0.993 0.000 0.767 636 G HN 0.565 nan 8.290 nan 0.000 0.550 637 G N 0.732 109.547 108.800 0.026 0.000 2.395 637 G HA2 -0.049 3.911 3.960 0.000 0.000 0.214 637 G HA3 -0.049 3.911 3.960 0.000 0.000 0.214 637 G C 1.775 176.522 174.900 -0.255 0.000 1.177 637 G CA 0.456 45.472 45.100 -0.140 0.000 0.794 637 G HN 0.398 nan 8.290 nan 0.000 0.532 638 L N -0.018 121.150 121.223 -0.092 0.000 2.083 638 L HA -0.045 4.295 4.340 0.000 0.000 0.209 638 L C 3.167 179.911 176.870 -0.211 0.000 1.083 638 L CA 0.584 55.342 54.840 -0.136 0.000 0.752 638 L CB -0.283 41.666 42.059 -0.183 0.000 0.899 638 L HN 0.044 nan 8.230 nan 0.000 0.433 639 R N 0.108 120.425 120.500 -0.305 0.000 2.094 639 R HA -0.155 4.185 4.340 0.000 0.000 0.239 639 R C 2.191 178.362 176.300 -0.215 0.000 1.137 639 R CA 1.938 57.852 56.100 -0.309 0.000 0.943 639 R CB -1.103 28.899 30.300 -0.496 0.000 0.850 639 R HN 0.460 nan 8.270 nan 0.000 0.433 640 V N -1.736 118.051 119.914 -0.212 0.000 3.306 640 V HA 0.046 4.166 4.120 0.000 0.000 0.264 640 V C 2.033 178.047 176.094 -0.133 0.000 1.149 640 V CA 0.963 63.175 62.300 -0.148 0.000 1.143 640 V CB -0.483 31.260 31.823 -0.135 0.000 0.767 640 V HN 0.091 nan 8.190 nan 0.000 0.476 641 L N 1.402 122.525 121.223 -0.168 0.000 2.492 641 L HA 0.414 4.754 4.340 0.000 0.000 0.223 641 L C 1.832 178.644 176.870 -0.097 0.000 1.132 641 L CA 0.918 55.667 54.840 -0.151 0.000 0.850 641 L CB -0.501 41.436 42.059 -0.204 0.000 0.966 641 L HN 0.636 nan 8.230 nan 0.000 0.454 642 G N -0.302 108.446 108.800 -0.086 0.000 2.164 642 G HA2 -0.240 3.720 3.960 0.000 0.000 0.212 642 G HA3 -0.240 3.720 3.960 0.000 0.000 0.212 642 G C 0.731 175.611 174.900 -0.032 0.000 1.031 642 G CA 0.162 45.232 45.100 -0.050 0.000 0.730 642 G HN 0.370 nan 8.290 nan 0.000 0.501 643 A N -0.560 122.229 122.820 -0.052 0.000 2.206 643 A HA 0.294 4.615 4.320 0.000 0.000 0.211 643 A C 1.209 178.791 177.584 -0.003 0.000 1.158 643 A CA 0.684 52.706 52.037 -0.024 0.000 0.761 643 A CB -0.121 18.831 19.000 -0.080 0.000 0.801 643 A HN 0.464 nan 8.150 nan 0.000 0.473 644 N N 0.291 118.983 118.700 -0.014 0.000 2.454 644 N HA 0.201 4.941 4.740 0.000 0.000 0.254 644 N C -0.130 175.408 175.510 0.047 0.000 1.228 644 N CA 0.101 53.161 53.050 0.017 0.000 0.900 644 N CB 0.718 39.207 38.487 0.004 0.000 1.089 644 N HN 0.027 nan 8.380 nan 0.000 0.449 645 V N 1.490 121.452 119.914 0.081 0.000 2.673 645 V HA 0.177 4.297 4.120 0.000 0.000 0.303 645 V C 1.536 177.673 176.094 0.072 0.000 1.046 645 V CA 1.026 63.370 62.300 0.074 0.000 1.126 645 V CB 0.397 32.274 31.823 0.089 0.000 0.934 645 V HN 0.974 nan 8.190 nan 0.000 0.487 646 G N 3.495 112.327 108.800 0.054 0.000 2.155 646 G HA2 -0.287 3.673 3.960 0.000 0.000 0.257 646 G HA3 -0.287 3.673 3.960 0.000 0.000 0.257 646 G C 0.396 175.310 174.900 0.024 0.000 0.983 646 G CA 0.308 45.435 45.100 0.045 0.000 0.676 646 G HN 0.858 nan 8.290 nan 0.000 0.528 647 Q N -1.389 118.423 119.800 0.020 0.000 2.437 647 Q HA -0.216 4.125 4.340 0.000 0.000 0.274 647 Q C 0.917 176.910 176.000 -0.013 0.000 1.165 647 Q CA 1.401 57.208 55.803 0.007 0.000 0.925 647 Q CB -1.974 26.770 28.738 0.010 0.000 1.327 647 Q HN 1.427 nan 8.270 nan 0.000 0.505 648 S N -0.102 115.580 115.700 -0.029 0.000 2.561 648 S HA 0.003 4.473 4.470 0.000 0.000 0.294 648 S C 1.355 175.909 174.600 -0.078 0.000 1.294 648 S CA 0.033 58.172 58.200 -0.103 0.000 1.055 648 S CB 0.509 63.640 63.200 -0.115 0.000 0.819 648 S HN 0.278 nan 8.310 nan 0.000 0.503 649 R N 2.321 122.763 120.500 -0.098 0.000 2.310 649 R HA 0.052 4.392 4.340 0.000 0.000 0.202 649 R C -0.121 176.258 176.300 0.131 0.000 0.933 649 R CA 0.080 56.201 56.100 0.034 0.000 1.054 649 R CB -0.470 29.893 30.300 0.104 0.000 0.985 649 R HN 0.641 nan 8.270 nan 0.000 0.489 650 H N 0.873 120.001 119.070 0.096 0.000 3.046 650 H HA 0.097 4.654 4.556 0.000 0.000 0.303 650 H C 1.528 176.822 175.328 -0.056 0.000 1.002 650 H CA 0.873 56.988 56.048 0.112 0.000 1.460 650 H CB 0.369 30.196 29.762 0.109 0.000 1.493 650 H HN 0.455 nan 8.280 nan 0.000 0.559 651 G N 2.633 111.370 108.800 -0.106 0.000 2.179 651 G HA2 -0.288 3.672 3.960 0.000 0.000 0.260 651 G HA3 -0.288 3.672 3.960 0.000 0.000 0.260 651 G C 0.328 174.602 174.900 -1.042 0.000 0.977 651 G CA 0.255 44.781 45.100 -0.956 0.000 0.641 651 G HN 0.554 nan 8.290 nan 0.000 0.533 652 V N 1.937 121.592 119.914 -0.433 0.000 2.153 652 V HA 0.333 4.453 4.120 0.000 0.000 0.250 652 V C 0.558 176.575 176.094 -0.129 0.000 1.334 652 V CA 0.036 62.206 62.300 -0.216 0.000 1.249 652 V CB -0.800 31.007 31.823 -0.026 0.000 1.371 652 V HN 0.327 nan 8.190 nan 0.000 0.498 653 F N 2.291 122.046 119.950 -0.325 0.000 2.606 653 F HA 0.422 4.949 4.527 0.000 0.000 0.347 653 F C 0.850 176.252 175.800 -0.662 0.000 1.207 653 F CA -0.229 57.142 58.000 -1.047 0.000 1.306 653 F CB 0.506 38.775 39.000 -1.218 0.000 1.657 653 F HN 0.397 nan 8.300 nan 0.000 0.606 654 T N -0.303 114.229 114.554 -0.036 0.000 2.889 654 T HA 0.556 4.906 4.350 0.000 0.000 0.315 654 T C 0.102 174.967 174.700 0.276 0.000 1.291 654 T CA -0.195 61.975 62.100 0.116 0.000 1.028 654 T CB 1.719 70.599 68.868 0.021 0.000 1.235 654 T HN 0.249 nan 8.240 nan 0.000 0.491 655 A N 2.814 125.774 122.820 0.234 0.000 2.308 655 A HA 0.322 4.642 4.320 0.000 0.000 0.217 655 A C 0.875 178.516 177.584 0.096 0.000 1.216 655 A CA -0.149 51.991 52.037 0.171 0.000 0.864 655 A CB -0.065 19.019 19.000 0.140 0.000 0.902 655 A HN 0.686 nan 8.150 nan 0.000 0.499 656 R N 0.859 121.403 120.500 0.074 0.000 2.651 656 R HA 0.412 4.753 4.340 0.000 0.000 0.282 656 R C -1.280 175.031 176.300 0.019 0.000 1.565 656 R CA -0.462 55.661 56.100 0.038 0.000 1.661 656 R CB 0.048 30.365 30.300 0.027 0.000 1.189 656 R HN 0.224 nan 8.270 nan 0.000 0.621 657 E N 2.017 122.231 120.200 0.023 0.000 2.481 657 E HA -0.128 4.222 4.350 0.000 0.000 0.263 657 E C -0.017 176.572 176.600 -0.019 0.000 0.992 657 E CA 0.801 57.201 56.400 -0.000 0.000 0.938 657 E CB 0.387 30.094 29.700 0.012 0.000 0.933 657 E HN 0.410 nan 8.360 nan 0.000 0.453 658 Q N -1.598 118.176 119.800 -0.044 0.000 2.429 658 Q HA -0.257 4.084 4.340 0.000 0.000 0.232 658 Q C -0.822 175.145 176.000 -0.055 0.000 0.724 658 Q CA 0.614 56.384 55.803 -0.055 0.000 1.287 658 Q CB -1.483 27.232 28.738 -0.038 0.000 1.429 658 Q HN 0.533 nan 8.270 nan 0.000 0.721 659 A N 0.745 123.538 122.820 -0.045 0.000 2.317 659 A HA 0.645 4.965 4.320 0.000 0.000 0.327 659 A C -0.419 177.139 177.584 -0.043 0.000 1.178 659 A CA -0.560 51.457 52.037 -0.034 0.000 0.817 659 A CB 0.955 19.951 19.000 -0.008 0.000 1.189 659 A HN 0.178 nan 8.150 nan 0.000 0.489 660 L N 3.710 124.911 121.223 -0.036 0.000 2.385 660 L HA 0.459 4.800 4.340 0.000 0.000 0.285 660 L C 0.569 177.520 176.870 0.135 0.000 1.125 660 L CA 0.943 55.769 54.840 -0.023 0.000 0.890 660 L CB -0.314 41.680 42.059 -0.109 0.000 1.251 660 L HN 0.871 nan 8.230 nan 0.000 0.445 661 T N 0.121 114.734 114.554 0.099 0.000 2.865 661 T HA 0.370 4.720 4.350 0.000 0.000 0.294 661 T C 0.529 174.969 174.700 -0.432 0.000 1.119 661 T CA -0.544 61.560 62.100 0.007 0.000 1.007 661 T CB 1.131 69.993 68.868 -0.009 0.000 1.225 661 T HN 0.460 nan 8.240 nan 0.000 0.515 662 N N 0.007 118.360 118.700 -0.579 0.000 2.413 662 N HA 0.027 4.768 4.740 0.000 0.000 0.207 662 N C 0.279 175.668 175.510 -0.201 0.000 1.206 662 N CA -0.005 52.632 53.050 -0.687 0.000 0.832 662 N CB -0.439 37.815 38.487 -0.388 0.000 1.037 662 N HN 0.543 nan 8.380 nan 0.000 0.467 663 D N 0.581 120.876 120.400 -0.175 0.000 2.149 663 D HA -0.165 4.475 4.640 0.000 0.000 0.198 663 D C 1.233 177.457 176.300 -0.127 0.000 0.990 663 D CA 0.678 54.623 54.000 -0.092 0.000 0.839 663 D CB -0.358 40.407 40.800 -0.060 0.000 0.948 663 D HN 0.351 nan 8.370 nan 0.000 0.460 664 F N 0.497 120.223 119.950 -0.374 0.000 2.091 664 F HA -0.267 4.260 4.527 0.000 0.000 0.299 664 F C 1.916 177.471 175.800 -0.408 0.000 1.103 664 F CA 1.571 59.280 58.000 -0.486 0.000 1.228 664 F CB -0.481 37.998 39.000 -0.867 0.000 0.984 664 F HN -0.094 nan 8.300 nan 0.000 0.477 665 F N -0.515 119.418 119.950 -0.028 0.000 2.163 665 F HA -0.125 4.402 4.527 0.001 0.000 0.297 665 F C 2.352 178.089 175.800 -0.106 0.000 1.094 665 F CA 1.197 59.162 58.000 -0.058 0.000 1.290 665 F CB -1.272 37.768 39.000 0.066 0.000 1.017 665 F HN -0.227 nan 8.300 nan 0.000 0.483 666 V N 0.547 120.512 119.914 0.086 0.000 2.287 666 V HA -0.301 3.819 4.120 0.000 0.000 0.248 666 V C 2.134 178.215 176.094 -0.021 0.000 1.053 666 V CA 2.062 64.385 62.300 0.037 0.000 1.027 666 V CB -0.604 31.238 31.823 0.031 0.000 0.646 666 V HN 0.367 nan 8.190 nan 0.000 0.447 667 N N -0.227 118.412 118.700 -0.102 0.000 2.216 667 N HA -0.073 4.667 4.740 0.000 0.000 0.183 667 N C 1.697 177.051 175.510 -0.259 0.000 1.017 667 N CA 1.081 54.041 53.050 -0.150 0.000 0.861 667 N CB -0.328 37.988 38.487 -0.285 0.000 0.986 667 N HN 0.402 nan 8.380 nan 0.000 0.428 668 L N 1.197 122.182 121.223 -0.396 0.000 2.046 668 L HA -0.021 4.320 4.340 0.000 0.000 0.208 668 L C 1.593 178.371 176.870 -0.152 0.000 1.077 668 L CA 1.502 56.089 54.840 -0.421 0.000 0.747 668 L CB -0.426 41.295 42.059 -0.564 0.000 0.896 668 L HN 0.094 nan 8.230 nan 0.000 0.432 669 L N -0.291 120.889 121.223 -0.070 0.000 2.612 669 L HA 0.085 4.425 4.340 0.000 0.000 0.230 669 L C 0.128 177.015 176.870 0.029 0.000 1.140 669 L CA -0.200 54.641 54.840 0.002 0.000 0.896 669 L CB -0.635 41.447 42.059 0.038 0.000 1.065 669 L HN 0.222 nan 8.230 nan 0.000 0.447 670 D N 0.844 121.266 120.400 0.037 0.000 2.338 670 D HA -0.003 4.638 4.640 0.000 0.000 0.255 670 D C 0.893 177.232 176.300 0.064 0.000 1.237 670 D CA -0.124 53.906 54.000 0.051 0.000 0.883 670 D CB 1.329 42.166 40.800 0.062 0.000 1.087 670 D HN -0.061 nan 8.370 nan 0.000 0.485 671 M N 3.359 122.985 119.600 0.044 0.000 2.549 671 M HA 0.125 4.605 4.480 0.000 0.000 0.260 671 M C 1.696 178.007 176.300 0.019 0.000 1.076 671 M CA 0.904 56.228 55.300 0.040 0.000 1.090 671 M CB -0.194 32.421 32.600 0.025 0.000 1.418 671 M HN 0.409 nan 8.290 nan 0.000 0.486 672 G N -0.764 108.040 108.800 0.007 0.000 2.625 672 G HA2 -0.036 3.924 3.960 0.000 0.000 0.214 672 G HA3 -0.036 3.924 3.960 0.000 0.000 0.214 672 G C 0.312 175.177 174.900 -0.058 0.000 1.132 672 G CA 0.561 45.648 45.100 -0.022 0.000 0.782 672 G HN 0.457 nan 8.290 nan 0.000 0.538 673 T N -0.059 114.463 114.554 -0.052 0.000 2.823 673 T HA 0.483 4.833 4.350 0.000 0.000 0.279 673 T C -0.735 173.845 174.700 -0.201 0.000 0.998 673 T CA -0.484 61.506 62.100 -0.183 0.000 0.994 673 T CB 2.515 71.260 68.868 -0.204 0.000 0.960 673 T HN 0.281 nan 8.240 nan 0.000 0.448 674 E N 2.039 122.051 120.200 -0.313 0.000 2.183 674 E HA 0.431 4.781 4.350 0.000 0.000 0.271 674 E C -1.533 174.880 176.600 -0.311 0.000 0.919 674 E CA -0.841 55.453 56.400 -0.177 0.000 0.781 674 E CB 1.113 30.757 29.700 -0.093 0.000 1.140 674 E HN 0.568 nan 8.360 nan 0.000 0.402 675 W N 3.664 124.971 121.300 0.012 0.000 2.587 675 W HA 0.474 5.134 4.660 0.000 0.000 0.324 675 W C -0.389 176.197 176.519 0.113 0.000 1.040 675 W CA -0.703 56.673 57.345 0.052 0.000 1.222 675 W CB 1.676 31.127 29.460 -0.015 0.000 1.381 675 W HN 0.243 nan 8.180 nan 0.000 0.483 676 K N 3.819 124.453 120.400 0.391 0.000 2.464 676 K HA 0.400 4.720 4.320 0.000 0.000 0.253 676 K C -2.636 174.163 176.600 0.332 0.000 0.933 676 K CA -1.968 54.508 56.287 0.316 0.000 0.801 676 K CB 2.523 35.111 32.500 0.148 0.000 1.271 676 K HN 0.037 nan 8.250 nan 0.000 0.430 677 P HA -0.050 nan 4.420 nan 0.000 0.269 677 P C -0.179 177.058 177.300 -0.105 0.000 1.209 677 P CA -0.054 62.928 63.100 -0.196 0.000 0.776 677 P CB 0.271 31.845 31.700 -0.210 0.000 0.876 678 T N -1.238 113.218 114.554 -0.163 0.000 2.868 678 T HA 0.382 4.733 4.350 0.000 0.000 0.292 678 T C 1.507 176.164 174.700 -0.071 0.000 1.028 678 T CA -0.097 61.958 62.100 -0.075 0.000 1.059 678 T CB 0.696 69.530 68.868 -0.057 0.000 0.991 678 T HN 0.395 nan 8.240 nan 0.000 0.531 679 A N 1.813 124.611 122.820 -0.037 0.000 1.877 679 A HA 0.199 4.520 4.320 0.000 0.000 0.216 679 A C 2.665 180.228 177.584 -0.035 0.000 1.186 679 A CA 1.665 53.684 52.037 -0.031 0.000 0.620 679 A CB -1.542 17.449 19.000 -0.016 0.000 0.822 679 A HN 1.264 nan 8.150 nan 0.000 0.443 680 A N -1.543 121.259 122.820 -0.030 0.000 1.940 680 A HA -0.021 4.300 4.320 0.000 0.000 0.219 680 A C 0.888 178.446 177.584 -0.042 0.000 1.176 680 A CA 1.762 53.783 52.037 -0.026 0.000 0.631 680 A CB -0.137 18.857 19.000 -0.011 0.000 0.814 680 A HN 0.442 nan 8.150 nan 0.000 0.446 681 D N -2.920 117.438 120.400 -0.070 0.000 2.763 681 D HA 0.534 5.175 4.640 0.000 0.000 0.235 681 D C 0.321 176.513 176.300 -0.179 0.000 1.334 681 D CA 0.274 54.215 54.000 -0.099 0.000 0.950 681 D CB 1.479 42.232 40.800 -0.079 0.000 1.433 681 D HN 0.040 nan 8.370 nan 0.000 0.580 682 A N 2.999 125.718 122.820 -0.169 0.000 2.168 682 A HA -0.047 4.274 4.320 0.000 0.000 0.215 682 A C 1.116 178.474 177.584 -0.377 0.000 1.152 682 A CA 0.907 52.805 52.037 -0.232 0.000 0.716 682 A CB 0.158 19.087 19.000 -0.118 0.000 0.794 682 A HN 0.481 nan 8.150 nan 0.000 0.465 683 D N -0.983 119.238 120.400 -0.298 0.000 2.369 683 D HA 0.207 4.847 4.640 0.000 0.000 0.211 683 D C -0.102 176.025 176.300 -0.288 0.000 1.077 683 D CA 0.338 54.206 54.000 -0.220 0.000 0.842 683 D CB 0.746 41.501 40.800 -0.075 0.000 0.947 683 D HN 0.167 nan 8.370 nan 0.000 0.509 684 V N 0.966 120.615 119.914 -0.441 0.000 2.667 684 V HA 0.451 4.571 4.120 0.000 0.000 0.308 684 V C -0.633 175.140 176.094 -0.535 0.000 1.048 684 V CA -0.661 61.427 62.300 -0.354 0.000 0.928 684 V CB 1.857 33.549 31.823 -0.218 0.000 1.004 684 V HN -0.156 nan 8.190 nan 0.000 0.444 685 F N 1.024 121.010 119.950 0.061 0.000 2.565 685 F HA 0.529 5.056 4.527 0.001 0.000 0.313 685 F C 0.244 176.229 175.800 0.309 0.000 1.091 685 F CA -0.713 57.408 58.000 0.201 0.000 0.915 685 F CB 1.854 41.013 39.000 0.265 0.000 1.208 685 F HN 0.403 nan 8.300 nan 0.000 0.453 686 E N 1.053 121.492 120.200 0.398 0.000 2.175 686 E HA 0.525 4.875 4.350 0.000 0.000 0.278 686 E C -0.222 176.390 176.600 0.019 0.000 0.969 686 E CA -0.764 55.767 56.400 0.218 0.000 0.796 686 E CB 1.891 31.640 29.700 0.082 0.000 1.104 686 E HN 0.791 nan 8.360 nan 0.000 0.395 687 G N 3.134 111.674 108.800 -0.433 0.000 2.347 687 G HA2 0.397 4.357 3.960 0.000 0.000 0.314 687 G HA3 0.397 4.357 3.960 0.000 0.000 0.314 687 G C -0.336 174.160 174.900 -0.672 0.000 1.126 687 G CA -0.478 43.847 45.100 -1.292 0.000 0.929 687 G HN 0.325 nan 8.290 nan 0.000 0.441 688 R N 1.740 121.923 120.500 -0.528 0.000 2.711 688 R HA 0.235 4.576 4.340 0.000 0.000 0.284 688 R C -0.557 175.561 176.300 -0.303 0.000 0.968 688 R CA -0.901 54.998 56.100 -0.336 0.000 0.924 688 R CB 1.982 32.154 30.300 -0.213 0.000 1.162 688 R HN 0.578 nan 8.270 nan 0.000 0.465 689 D N 1.850 122.101 120.400 -0.249 0.000 2.531 689 D HA -0.092 4.548 4.640 0.000 0.000 0.239 689 D C 0.796 177.012 176.300 -0.139 0.000 1.144 689 D CA 0.614 54.503 54.000 -0.185 0.000 0.869 689 D CB 0.851 41.555 40.800 -0.159 0.000 1.160 689 D HN 0.442 nan 8.370 nan 0.000 0.484 690 R N 3.058 123.490 120.500 -0.113 0.000 2.092 690 R HA -0.114 4.227 4.340 0.000 0.000 0.231 690 R C 1.896 178.157 176.300 -0.065 0.000 1.119 690 R CA 1.438 57.488 56.100 -0.083 0.000 0.970 690 R CB 0.020 30.284 30.300 -0.061 0.000 0.864 690 R HN 0.544 nan 8.270 nan 0.000 0.440 691 A N -0.445 122.337 122.820 -0.063 0.000 1.874 691 A HA -0.094 4.227 4.320 0.000 0.000 0.214 691 A C 2.078 179.628 177.584 -0.056 0.000 1.189 691 A CA 1.683 53.689 52.037 -0.052 0.000 0.615 691 A CB -0.489 18.483 19.000 -0.047 0.000 0.830 691 A HN 0.523 nan 8.150 nan 0.000 0.443 692 T N -5.360 109.152 114.554 -0.069 0.000 3.014 692 T HA 0.408 4.758 4.350 0.000 0.000 0.250 692 T C 1.450 176.106 174.700 -0.074 0.000 1.060 692 T CA 1.186 63.246 62.100 -0.068 0.000 1.040 692 T CB 0.325 69.150 68.868 -0.073 0.000 0.971 692 T HN 1.727 nan 8.240 nan 0.000 0.497 693 G N 1.257 110.004 108.800 -0.089 0.000 2.179 693 G HA2 -0.262 3.699 3.960 0.000 0.000 0.260 693 G HA3 -0.262 3.699 3.960 0.000 0.000 0.260 693 G C -0.150 174.685 174.900 -0.109 0.000 0.977 693 G CA 0.249 45.294 45.100 -0.091 0.000 0.641 693 G HN 0.805 nan 8.290 nan 0.000 0.533 694 E N 0.262 120.388 120.200 -0.123 0.000 2.376 694 E HA 0.310 4.660 4.350 0.000 0.000 0.266 694 E C 0.278 176.765 176.600 -0.189 0.000 1.009 694 E CA -0.729 55.586 56.400 -0.141 0.000 0.902 694 E CB 0.368 29.982 29.700 -0.144 0.000 0.972 694 E HN 0.314 nan 8.360 nan 0.000 0.439 695 L N 5.586 126.706 121.223 -0.172 0.000 2.433 695 L HA 0.054 4.395 4.340 0.000 0.000 0.275 695 L C 0.564 177.258 176.870 -0.292 0.000 1.128 695 L CA 0.772 55.495 54.840 -0.195 0.000 0.875 695 L CB 0.452 42.442 42.059 -0.114 0.000 1.171 695 L HN 0.557 nan 8.230 nan 0.000 0.463 696 K N 3.704 123.837 120.400 -0.446 0.000 2.262 696 K HA 0.220 4.540 4.320 0.000 0.000 0.200 696 K C -0.718 175.393 176.600 -0.815 0.000 1.058 696 K CA 0.750 56.540 56.287 -0.827 0.000 0.974 696 K CB 0.258 32.060 32.500 -1.163 0.000 0.910 696 K HN 0.569 nan 8.250 nan 0.000 0.484 697 W N 0.356 121.599 121.300 -0.094 0.000 3.075 697 W HA 0.312 4.973 4.660 0.000 0.000 0.334 697 W C -0.757 175.888 176.519 0.211 0.000 1.243 697 W CA -1.107 56.305 57.345 0.113 0.000 1.170 697 W CB 1.009 30.557 29.460 0.146 0.000 1.452 697 W HN -0.217 nan 8.180 nan 0.000 0.572 698 T N -0.771 114.206 114.554 0.704 0.000 2.907 698 T HA 0.933 5.283 4.350 0.000 0.000 0.292 698 T C -0.437 174.723 174.700 0.767 0.000 1.043 698 T CA -0.674 61.821 62.100 0.657 0.000 1.003 698 T CB 1.975 71.160 68.868 0.529 0.000 1.084 698 T HN 0.933 nan 8.240 nan 0.000 0.483 699 G N 0.446 109.589 108.800 0.573 0.000 2.684 699 G HA2 0.673 4.633 3.960 0.000 0.000 0.290 699 G HA3 0.673 4.633 3.960 0.000 0.000 0.290 699 G C -0.410 174.590 174.900 0.166 0.000 1.425 699 G CA -0.402 44.914 45.100 0.360 0.000 0.822 699 G HN 1.066 nan 8.290 nan 0.000 0.482 700 T N -2.157 112.458 114.554 0.100 0.000 2.884 700 T HA 0.369 4.720 4.350 0.000 0.000 0.277 700 T C 1.439 176.259 174.700 0.200 0.000 0.976 700 T CA -0.562 61.624 62.100 0.144 0.000 0.956 700 T CB 1.560 70.468 68.868 0.067 0.000 1.113 700 T HN 0.480 nan 8.240 nan 0.000 0.554 701 R N -0.360 120.281 120.500 0.234 0.000 2.105 701 R HA -0.063 4.277 4.340 0.000 0.000 0.239 701 R C 2.272 178.573 176.300 0.002 0.000 1.135 701 R CA 1.132 57.296 56.100 0.106 0.000 0.967 701 R CB -1.060 29.313 30.300 0.122 0.000 0.861 701 R HN 0.446 nan 8.270 nan 0.000 0.442 702 V N 1.751 121.684 119.914 0.032 0.000 2.358 702 V HA -0.219 3.901 4.120 0.000 0.000 0.246 702 V C 1.705 177.886 176.094 0.145 0.000 1.047 702 V CA 1.877 64.194 62.300 0.028 0.000 1.035 702 V CB -0.390 31.438 31.823 0.008 0.000 0.658 702 V HN 0.294 nan 8.190 nan 0.000 0.452 703 D N 0.046 120.529 120.400 0.137 0.000 2.084 703 D HA -0.137 4.503 4.640 0.000 0.000 0.194 703 D C 1.928 178.368 176.300 0.232 0.000 0.990 703 D CA 1.179 55.334 54.000 0.257 0.000 0.826 703 D CB -0.146 40.753 40.800 0.165 0.000 0.971 703 D HN 0.288 nan 8.370 nan 0.000 0.453 704 L N 0.709 121.894 121.223 -0.064 0.000 2.395 704 L HA -0.029 4.311 4.340 0.000 0.000 0.218 704 L C 2.249 178.986 176.870 -0.222 0.000 1.130 704 L CA 0.516 55.166 54.840 -0.317 0.000 0.826 704 L CB -0.248 41.398 42.059 -0.688 0.000 0.941 704 L HN -0.105 nan 8.230 nan 0.000 0.451 705 V N -1.125 118.694 119.914 -0.158 0.000 2.594 705 V HA -0.267 3.854 4.120 0.000 0.000 0.253 705 V C 2.134 178.088 176.094 -0.232 0.000 1.069 705 V CA 1.609 63.768 62.300 -0.234 0.000 1.082 705 V CB -0.380 31.251 31.823 -0.320 0.000 0.680 705 V HN 0.372 nan 8.190 nan 0.000 0.469 706 F N 0.808 120.759 119.950 0.002 0.000 2.502 706 F HA 0.140 4.667 4.527 0.000 0.000 0.298 706 F C 2.167 177.993 175.800 0.043 0.000 1.111 706 F CA 1.144 59.197 58.000 0.089 0.000 1.445 706 F CB -0.406 38.738 39.000 0.240 0.000 1.081 706 F HN 0.308 nan 8.300 nan 0.000 0.558 707 G N -2.092 106.745 108.800 0.062 0.000 3.126 707 G HA2 0.051 4.011 3.960 0.000 0.000 0.224 707 G HA3 0.051 4.011 3.960 0.000 0.000 0.224 707 G C 1.331 176.178 174.900 -0.089 0.000 1.142 707 G CA 0.682 45.756 45.100 -0.042 0.000 0.759 707 G HN 0.314 nan 8.290 nan 0.000 0.550 708 S N -0.875 114.770 115.700 -0.093 0.000 2.811 708 S HA 0.121 4.591 4.470 0.000 0.000 0.237 708 S C 0.805 175.356 174.600 -0.081 0.000 1.038 708 S CA -0.371 57.761 58.200 -0.113 0.000 0.881 708 S CB -0.319 62.787 63.200 -0.156 0.000 0.815 708 S HN 0.338 nan 8.310 nan 0.000 0.582 709 H N 2.706 121.688 119.070 -0.147 0.000 3.034 709 H HA 0.093 4.649 4.556 0.000 0.000 0.324 709 H C 1.520 176.792 175.328 -0.092 0.000 1.015 709 H CA 1.027 56.996 56.048 -0.133 0.000 1.429 709 H CB 1.154 30.823 29.762 -0.156 0.000 1.429 709 H HN 0.529 nan 8.280 nan 0.000 0.585 710 S N 3.078 118.594 115.700 -0.307 0.000 2.402 710 S HA -0.168 4.302 4.470 0.000 0.000 0.229 710 S C 1.725 176.350 174.600 0.042 0.000 1.021 710 S CA 1.027 59.148 58.200 -0.131 0.000 0.974 710 S CB 0.027 63.104 63.200 -0.206 0.000 0.800 710 S HN 0.733 nan 8.310 nan 0.000 0.484 711 Q N 0.677 120.606 119.800 0.215 0.000 2.096 711 Q HA 0.202 4.542 4.340 0.000 0.000 0.197 711 Q C 2.277 178.416 176.000 0.232 0.000 0.964 711 Q CA 1.088 57.039 55.803 0.247 0.000 0.838 711 Q CB -0.310 28.612 28.738 0.307 0.000 0.906 711 Q HN 0.525 nan 8.270 nan 0.000 0.444 712 L N 0.194 121.579 121.223 0.270 0.000 2.093 712 L HA -0.157 4.183 4.340 0.000 0.000 0.208 712 L C 2.603 179.628 176.870 0.258 0.000 1.085 712 L CA 1.035 55.989 54.840 0.190 0.000 0.755 712 L CB -0.362 41.677 42.059 -0.033 0.000 0.904 712 L HN 0.181 nan 8.230 nan 0.000 0.435 713 R N 0.413 121.027 120.500 0.190 0.000 2.115 713 R HA -0.136 4.204 4.340 0.000 0.000 0.230 713 R C 2.325 178.706 176.300 0.136 0.000 1.111 713 R CA 1.207 57.405 56.100 0.163 0.000 0.976 713 R CB -0.142 30.206 30.300 0.080 0.000 0.870 713 R HN 0.320 nan 8.270 nan 0.000 0.445 714 A N 1.024 123.910 122.820 0.109 0.000 1.933 714 A HA -0.117 4.204 4.320 0.000 0.000 0.218 714 A C 2.118 179.747 177.584 0.075 0.000 1.175 714 A CA 1.110 53.190 52.037 0.070 0.000 0.628 714 A CB -0.406 18.626 19.000 0.053 0.000 0.814 714 A HN 0.322 nan 8.150 nan 0.000 0.444 715 L N -0.984 120.320 121.223 0.135 0.000 2.044 715 L HA -0.130 4.211 4.340 0.000 0.000 0.205 715 L C 3.109 180.077 176.870 0.164 0.000 1.075 715 L CA 0.982 55.911 54.840 0.148 0.000 0.747 715 L CB -0.728 41.482 42.059 0.252 0.000 0.903 715 L HN 0.408 nan 8.230 nan 0.000 0.435 716 A N 0.218 123.202 122.820 0.272 0.000 1.948 716 A HA -0.258 4.063 4.320 0.000 0.000 0.220 716 A C 2.145 179.813 177.584 0.140 0.000 1.177 716 A CA 1.923 54.145 52.037 0.308 0.000 0.636 716 A CB -0.519 18.794 19.000 0.520 0.000 0.815 716 A HN 0.481 nan 8.150 nan 0.000 0.449 717 E N -0.544 119.712 120.200 0.092 0.000 2.110 717 E HA -0.127 4.224 4.350 0.000 0.000 0.193 717 E C 1.951 178.521 176.600 -0.050 0.000 0.988 717 E CA 1.203 57.622 56.400 0.032 0.000 0.804 717 E CB -0.279 29.433 29.700 0.022 0.000 0.745 717 E HN 0.422 nan 8.360 nan 0.000 0.458 718 V N 0.360 120.193 119.914 -0.135 0.000 2.287 718 V HA -0.275 3.845 4.120 0.000 0.000 0.248 718 V C 1.706 177.581 176.094 -0.364 0.000 1.053 718 V CA 1.835 63.961 62.300 -0.290 0.000 1.027 718 V CB -0.524 31.027 31.823 -0.453 0.000 0.646 718 V HN 0.336 nan 8.190 nan 0.000 0.447 719 Y N 0.297 120.458 120.300 -0.232 0.000 2.519 719 Y HA 0.161 4.711 4.550 0.001 0.000 0.287 719 Y C 2.294 178.065 175.900 -0.215 0.000 1.128 719 Y CA 0.701 58.597 58.100 -0.340 0.000 1.282 719 Y CB -0.199 37.740 38.460 -0.868 0.000 1.027 719 Y HN 0.307 nan 8.280 nan 0.000 0.551 720 G N -0.973 107.837 108.800 0.017 0.000 3.189 720 G HA2 0.061 4.021 3.960 0.000 0.000 0.225 720 G HA3 0.061 4.021 3.960 0.000 0.000 0.225 720 G C 0.291 175.219 174.900 0.046 0.000 1.159 720 G CA -0.125 45.037 45.100 0.104 0.000 0.763 720 G HN 0.065 nan 8.290 nan 0.000 0.549 721 S N -0.432 115.273 115.700 0.007 0.000 2.632 721 S HA 0.484 4.955 4.470 0.000 0.000 0.267 721 S C 1.608 176.216 174.600 0.013 0.000 1.276 721 S CA 0.027 58.228 58.200 0.001 0.000 0.998 721 S CB 1.630 64.814 63.200 -0.027 0.000 0.953 721 S HN 0.311 nan 8.310 nan 0.000 0.547 722 A N 1.152 123.979 122.820 0.013 0.000 2.121 722 A HA -0.070 4.251 4.320 0.000 0.000 0.218 722 A C 1.319 178.916 177.584 0.022 0.000 1.154 722 A CA 1.324 53.374 52.037 0.021 0.000 0.679 722 A CB -0.418 18.593 19.000 0.018 0.000 0.795 722 A HN 0.820 nan 8.150 nan 0.000 0.458 723 D N -1.219 119.188 120.400 0.013 0.000 2.358 723 D HA 0.375 5.015 4.640 0.000 0.000 0.224 723 D C 0.835 177.146 176.300 0.018 0.000 1.123 723 D CA 0.647 54.655 54.000 0.013 0.000 0.833 723 D CB -0.015 40.785 40.800 0.001 0.000 0.946 723 D HN 0.236 nan 8.370 nan 0.000 0.505 724 A N -0.181 122.659 122.820 0.033 0.000 2.390 724 A HA 0.102 4.422 4.320 0.000 0.000 0.232 724 A C 1.920 179.582 177.584 0.130 0.000 1.233 724 A CA -0.021 52.053 52.037 0.061 0.000 0.907 724 A CB 0.059 19.087 19.000 0.047 0.000 0.967 724 A HN 0.103 nan 8.150 nan 0.000 0.512 725 Q N 0.961 120.816 119.800 0.092 0.000 2.020 725 Q HA -0.209 4.132 4.340 0.000 0.000 0.202 725 Q C 1.900 177.941 176.000 0.067 0.000 0.982 725 Q CA 2.365 58.228 55.803 0.099 0.000 0.838 725 Q CB -0.269 28.504 28.738 0.058 0.000 0.899 725 Q HN 0.760 nan 8.270 nan 0.000 0.423 726 E N -0.210 119.986 120.200 -0.006 0.000 2.110 726 E HA -0.249 4.101 4.350 0.000 0.000 0.193 726 E C 1.877 178.500 176.600 0.037 0.000 0.988 726 E CA 1.235 57.610 56.400 -0.040 0.000 0.804 726 E CB -0.131 29.548 29.700 -0.035 0.000 0.745 726 E HN 0.289 nan 8.360 nan 0.000 0.458 727 K N -0.205 120.249 120.400 0.091 0.000 2.057 727 K HA -0.181 4.139 4.320 0.000 0.000 0.207 727 K C 2.098 178.844 176.600 0.242 0.000 1.049 727 K CA 1.346 57.714 56.287 0.134 0.000 0.931 727 K CB -0.349 32.213 32.500 0.103 0.000 0.714 727 K HN 0.152 nan 8.250 nan 0.000 0.440 728 F N 1.356 121.418 119.950 0.186 0.000 2.069 728 F HA -0.222 4.305 4.527 0.000 0.000 0.298 728 F C 1.808 177.669 175.800 0.101 0.000 1.113 728 F CA 1.467 59.573 58.000 0.176 0.000 1.214 728 F CB -0.576 38.511 39.000 0.144 0.000 0.978 728 F HN -0.200 nan 8.300 nan 0.000 0.474 729 V N 1.429 121.303 119.914 -0.066 0.000 2.287 729 V HA -0.332 3.789 4.120 0.000 0.000 0.248 729 V C 2.650 178.681 176.094 -0.105 0.000 1.053 729 V CA 2.395 64.595 62.300 -0.167 0.000 1.027 729 V CB -0.892 30.900 31.823 -0.052 0.000 0.646 729 V HN 0.404 nan 8.190 nan 0.000 0.447 730 R N 0.086 120.563 120.500 -0.039 0.000 2.083 730 R HA -0.207 4.133 4.340 0.000 0.000 0.237 730 R C 1.978 178.268 176.300 -0.016 0.000 1.137 730 R CA 2.304 58.398 56.100 -0.009 0.000 0.951 730 R CB -0.371 29.938 30.300 0.015 0.000 0.851 730 R HN 0.493 nan 8.270 nan 0.000 0.434 731 D N -0.398 119.992 120.400 -0.016 0.000 2.183 731 D HA -0.130 4.510 4.640 0.000 0.000 0.203 731 D C 1.491 177.722 176.300 -0.114 0.000 0.969 731 D CA 0.841 54.831 54.000 -0.017 0.000 0.842 731 D CB -0.248 40.606 40.800 0.091 0.000 0.957 731 D HN 0.214 nan 8.370 nan 0.000 0.484 732 F N 1.238 120.968 119.950 -0.367 0.000 2.102 732 F HA -0.198 4.330 4.527 0.000 0.000 0.298 732 F C 2.158 177.871 175.800 -0.144 0.000 1.105 732 F CA 1.017 58.792 58.000 -0.375 0.000 1.239 732 F CB -0.243 38.340 39.000 -0.695 0.000 0.991 732 F HN -0.224 nan 8.300 nan 0.000 0.474 733 V N 0.638 120.555 119.914 0.005 0.000 2.332 733 V HA -0.349 3.771 4.120 0.000 0.000 0.248 733 V C 2.733 178.817 176.094 -0.016 0.000 1.055 733 V CA 1.877 64.193 62.300 0.026 0.000 1.038 733 V CB -1.575 30.284 31.823 0.060 0.000 0.651 733 V HN 0.505 nan 8.190 nan 0.000 0.450 734 A N -0.625 122.167 122.820 -0.047 0.000 1.902 734 A HA -0.189 4.131 4.320 0.000 0.000 0.217 734 A C 2.466 179.998 177.584 -0.087 0.000 1.181 734 A CA 2.148 54.157 52.037 -0.046 0.000 0.623 734 A CB -0.766 18.216 19.000 -0.031 0.000 0.818 734 A HN 0.367 nan 8.150 nan 0.000 0.443 735 V N -0.676 119.149 119.914 -0.147 0.000 2.453 735 V HA -0.172 3.948 4.120 0.000 0.000 0.247 735 V C 2.029 178.004 176.094 -0.199 0.000 1.048 735 V CA 1.856 64.053 62.300 -0.172 0.000 1.049 735 V CB -0.488 31.229 31.823 -0.178 0.000 0.672 735 V HN 0.789 nan 8.190 nan 0.000 0.457 736 W N 1.158 122.163 121.300 -0.492 0.000 2.317 736 W HA -0.317 4.343 4.660 0.000 0.000 0.318 736 W C 2.267 178.669 176.519 -0.195 0.000 1.227 736 W CA 2.366 59.477 57.345 -0.391 0.000 1.269 736 W CB -0.618 28.560 29.460 -0.469 0.000 1.155 736 W HN 0.506 nan 8.180 nan 0.000 0.484 737 N N 0.956 119.626 118.700 -0.049 0.000 2.120 737 N HA -0.257 4.483 4.740 0.000 0.000 0.188 737 N C 1.914 177.296 175.510 -0.214 0.000 1.024 737 N CA 2.475 55.458 53.050 -0.112 0.000 0.852 737 N CB -0.696 37.783 38.487 -0.014 0.000 1.003 737 N HN 0.174 nan 8.380 nan 0.000 0.424 738 K N -0.089 120.196 120.400 -0.191 0.000 2.032 738 K HA -0.110 4.210 4.320 0.000 0.000 0.209 738 K C 1.684 178.107 176.600 -0.296 0.000 1.048 738 K CA 1.550 57.711 56.287 -0.211 0.000 0.927 738 K CB -0.213 32.194 32.500 -0.155 0.000 0.712 738 K HN 0.054 nan 8.250 nan 0.000 0.441 739 V N 1.487 121.205 119.914 -0.327 0.000 2.343 739 V HA -0.266 3.854 4.120 0.000 0.000 0.247 739 V C 2.473 178.274 176.094 -0.488 0.000 1.051 739 V CA 1.552 63.612 62.300 -0.401 0.000 1.036 739 V CB -0.395 31.202 31.823 -0.377 0.000 0.654 739 V HN 0.425 nan 8.190 nan 0.000 0.451 740 M N 0.209 119.487 119.600 -0.538 0.000 2.267 740 M HA -0.100 4.380 4.480 0.000 0.000 0.263 740 M C 1.383 177.457 176.300 -0.377 0.000 1.063 740 M CA 1.399 56.415 55.300 -0.472 0.000 1.090 740 M CB -1.237 31.104 32.600 -0.431 0.000 1.392 740 M HN 0.378 nan 8.290 nan 0.000 0.422 741 N N 0.025 118.495 118.700 -0.384 0.000 2.230 741 N HA 0.196 4.936 4.740 0.000 0.000 0.202 741 N C 1.525 176.721 175.510 -0.524 0.000 1.119 741 N CA 0.085 52.902 53.050 -0.388 0.000 0.851 741 N CB 0.075 38.369 38.487 -0.322 0.000 0.990 741 N HN 0.327 nan 8.380 nan 0.000 0.497 742 L N 0.588 121.425 121.223 -0.643 0.000 2.127 742 L HA -0.178 4.163 4.340 0.000 0.000 0.211 742 L C 1.219 177.337 176.870 -1.252 0.000 1.089 742 L CA 1.316 55.549 54.840 -1.011 0.000 0.757 742 L CB -0.141 41.106 42.059 -1.353 0.000 0.899 742 L HN 0.155 nan 8.230 nan 0.000 0.434 743 D N -1.761 118.132 120.400 -0.845 0.000 2.368 743 D HA -0.060 4.580 4.640 0.000 0.000 0.218 743 D C 0.820 176.846 176.300 -0.456 0.000 1.112 743 D CA -0.094 53.622 54.000 -0.474 0.000 0.834 743 D CB -0.034 40.758 40.800 -0.013 0.000 0.953 743 D HN -0.014 nan 8.370 nan 0.000 0.505 744 R N 0.847 120.988 120.500 -0.598 0.000 4.556 744 R HA 0.179 4.520 4.340 0.000 0.000 0.197 744 R C 0.130 176.198 176.300 -0.386 0.000 1.791 744 R CA -0.328 55.538 56.100 -0.390 0.000 1.526 744 R CB -1.343 28.753 30.300 -0.341 0.000 1.410 744 R HN 0.260 nan 8.270 nan 0.000 0.826 745 F N 0.787 120.683 119.950 -0.091 0.000 2.502 745 F HA -0.139 4.389 4.527 0.000 0.000 0.298 745 F C 2.076 177.834 175.800 -0.071 0.000 1.111 745 F CA 0.835 58.794 58.000 -0.067 0.000 1.445 745 F CB 0.096 39.072 39.000 -0.039 0.000 1.081 745 F HN 0.280 nan 8.300 nan 0.000 0.558 746 D N 0.901 121.329 120.400 0.047 0.000 2.265 746 D HA -0.197 4.443 4.640 0.000 0.000 0.208 746 D C 1.604 177.879 176.300 -0.043 0.000 0.977 746 D CA 1.239 55.232 54.000 -0.011 0.000 0.871 746 D CB -0.566 40.207 40.800 -0.044 0.000 0.925 746 D HN 0.350 nan 8.370 nan 0.000 0.485 747 L N -0.027 121.150 121.223 -0.076 0.000 2.554 747 L HA 0.317 4.657 4.340 0.000 0.000 0.225 747 L C 1.687 178.519 176.870 -0.063 0.000 1.104 747 L CA -0.263 54.524 54.840 -0.088 0.000 0.866 747 L CB -0.168 41.810 42.059 -0.135 0.000 1.047 747 L HN -0.049 nan 8.230 nan 0.000 0.468 748 A N 0.000 122.801 122.820 -0.031 0.000 2.254 748 A HA 0.000 4.320 4.320 0.000 0.000 0.244 748 A CA 0.000 52.039 52.037 0.003 0.000 0.836 748 A CB 0.000 19.060 19.000 0.100 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486