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 3n3o_1_B DATA FIRST_RESID 35 DATA SEQUENCE NGTSNRDWWP NQLDLSILHR HSSLSDPMGK DFNYAQAFEK LDLAAVKRDL DATA SEQUENCE HALMTTSQDW WPADFGHYGG LFIRMAXHSA 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 TGKGADAITS 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 0.000 175.477 175.510 -0.056 0.000 1.280 35 N CA 0.000 53.023 53.050 -0.045 0.000 0.885 35 N CB 0.000 38.459 38.487 -0.047 0.000 1.341 36 G N 0.931 109.707 108.800 -0.040 0.000 2.272 36 G HA2 0.435 4.398 3.960 0.004 0.000 0.247 36 G HA3 0.435 4.398 3.960 0.004 0.000 0.247 36 G C 0.472 175.324 174.900 -0.081 0.000 1.272 36 G CA 0.860 45.938 45.100 -0.036 0.000 0.921 36 G HN 0.985 nan 8.290 nan 0.000 0.495 37 T N 1.595 116.081 114.554 -0.113 0.000 2.884 37 T HA 0.432 4.785 4.350 0.004 0.000 0.298 37 T C 0.918 175.509 174.700 -0.181 0.000 0.998 37 T CA 0.052 61.984 62.100 -0.279 0.000 1.124 37 T CB 1.044 69.631 68.868 -0.468 0.000 0.931 37 T HN 0.833 nan 8.240 nan 0.000 0.531 38 S N 2.380 117.938 115.700 -0.237 0.000 2.726 38 S HA 0.413 4.885 4.470 0.004 0.000 0.308 38 S C 1.010 175.605 174.600 -0.009 0.000 1.115 38 S CA -0.968 57.200 58.200 -0.052 0.000 0.965 38 S CB 1.092 64.278 63.200 -0.022 0.000 1.145 38 S HN 0.466 nan 8.310 nan 0.000 0.532 39 N N 0.703 119.526 118.700 0.205 0.000 2.166 39 N HA -0.056 4.687 4.740 0.004 0.000 0.186 39 N C 1.627 177.300 175.510 0.271 0.000 1.019 39 N CA 1.026 54.316 53.050 0.400 0.000 0.856 39 N CB -0.636 38.121 38.487 0.449 0.000 0.993 39 N HN 0.651 nan 8.380 nan 0.000 0.426 40 R N 0.976 121.555 120.500 0.131 0.000 2.115 40 R HA -0.045 4.297 4.340 0.004 0.000 0.230 40 R C 1.069 177.347 176.300 -0.037 0.000 1.111 40 R CA 1.160 57.308 56.100 0.080 0.000 0.976 40 R CB 0.013 30.343 30.300 0.049 0.000 0.870 40 R HN 0.169 nan 8.270 nan 0.000 0.445 41 D N -1.007 119.285 120.400 -0.181 0.000 2.097 41 D HA -0.183 4.459 4.640 0.004 0.000 0.197 41 D C 1.609 177.661 176.300 -0.413 0.000 0.984 41 D CA 1.237 55.031 54.000 -0.344 0.000 0.826 41 D CB -0.368 40.093 40.800 -0.563 0.000 0.973 41 D HN 0.350 nan 8.370 nan 0.000 0.460 42 W N -0.236 120.793 121.300 -0.452 0.000 2.388 42 W HA -0.049 4.613 4.660 0.004 0.000 0.294 42 W C 0.711 176.632 176.519 -0.996 0.000 1.212 42 W CA 0.052 56.831 57.345 -0.943 0.000 1.271 42 W CB 0.098 28.410 29.460 -1.915 0.000 1.126 42 W HN -0.057 nan 8.180 nan 0.000 0.535 43 W N 1.186 122.619 121.300 0.222 0.000 2.291 43 W HA 0.239 4.901 4.660 0.004 0.000 0.288 43 W C -1.996 174.571 176.519 0.079 0.000 0.976 43 W CA -1.776 55.647 57.345 0.129 0.000 1.744 43 W CB -0.118 29.404 29.460 0.103 0.000 1.815 43 W HN -0.170 nan 8.180 nan 0.000 0.396 44 P HA -0.071 nan 4.420 nan 0.000 0.236 44 P C 0.670 178.033 177.300 0.105 0.000 1.177 44 P CA 1.084 64.239 63.100 0.093 0.000 0.773 44 P CB 0.522 32.242 31.700 0.032 0.000 0.878 45 N N -0.523 118.255 118.700 0.130 0.000 2.230 45 N HA 0.042 4.784 4.740 0.004 0.000 0.202 45 N C 0.811 176.386 175.510 0.107 0.000 1.119 45 N CA 0.103 53.212 53.050 0.098 0.000 0.851 45 N CB 0.049 38.584 38.487 0.080 0.000 0.990 45 N HN 0.193 nan 8.380 nan 0.000 0.497 46 Q N 0.956 120.850 119.800 0.157 0.000 2.443 46 Q HA 0.222 4.564 4.340 0.004 0.000 0.232 46 Q C -0.557 175.521 176.000 0.130 0.000 1.026 46 Q CA -0.437 55.452 55.803 0.142 0.000 0.924 46 Q CB 0.573 29.407 28.738 0.159 0.000 1.256 46 Q HN 0.131 nan 8.270 nan 0.000 0.519 47 L N 2.325 123.638 121.223 0.150 0.000 2.416 47 L HA 0.203 4.546 4.340 0.004 0.000 0.272 47 L C -0.762 176.164 176.870 0.093 0.000 1.161 47 L CA 0.485 55.362 54.840 0.061 0.000 0.845 47 L CB 0.712 42.740 42.059 -0.051 0.000 1.119 47 L HN 0.650 nan 8.230 nan 0.000 0.464 48 D N 4.004 124.422 120.400 0.029 0.000 2.428 48 D HA 0.187 4.830 4.640 0.004 0.000 0.221 48 D C 0.721 177.007 176.300 -0.024 0.000 1.123 48 D CA 0.003 54.026 54.000 0.037 0.000 0.869 48 D CB 0.533 41.354 40.800 0.035 0.000 1.032 48 D HN 0.577 nan 8.370 nan 0.000 0.506 49 L N 2.294 123.508 121.223 -0.015 0.000 2.554 49 L HA 0.023 4.366 4.340 0.004 0.000 0.226 49 L C 1.989 178.812 176.870 -0.079 0.000 1.137 49 L CA 0.024 54.822 54.840 -0.070 0.000 0.863 49 L CB -0.065 41.991 42.059 -0.005 0.000 0.985 49 L HN 0.300 nan 8.230 nan 0.000 0.451 50 S N 1.045 116.752 115.700 0.012 0.000 2.419 50 S HA -0.147 4.325 4.470 0.004 0.000 0.233 50 S C 1.974 176.547 174.600 -0.045 0.000 1.016 50 S CA 1.344 59.566 58.200 0.036 0.000 0.974 50 S CB -0.270 62.973 63.200 0.072 0.000 0.786 50 S HN 0.583 nan 8.310 nan 0.000 0.492 51 I N -0.863 119.660 120.570 -0.077 0.000 2.567 51 I HA -0.086 4.087 4.170 0.004 0.000 0.257 51 I C 1.419 177.436 176.117 -0.167 0.000 1.184 51 I CA 1.449 62.693 61.300 -0.093 0.000 1.451 51 I CB -0.399 37.554 38.000 -0.079 0.000 1.089 51 I HN 0.178 nan 8.210 nan 0.000 0.441 52 L N 0.118 121.148 121.223 -0.320 0.000 2.558 52 L HA 0.085 4.428 4.340 0.004 0.000 0.225 52 L C 0.916 177.498 176.870 -0.480 0.000 1.128 52 L CA 0.555 55.133 54.840 -0.438 0.000 0.868 52 L CB -0.564 41.160 42.059 -0.559 0.000 1.006 52 L HN 0.393 nan 8.230 nan 0.000 0.454 53 H N -1.673 117.414 119.070 0.027 0.000 2.649 53 H HA 0.249 4.808 4.556 0.004 0.000 0.258 53 H C 0.241 175.606 175.328 0.061 0.000 1.165 53 H CA -0.693 55.383 56.048 0.047 0.000 1.006 53 H CB 0.545 30.337 29.762 0.051 0.000 1.743 53 H HN -0.013 nan 8.280 nan 0.000 0.609 54 R N 0.314 120.873 120.500 0.097 0.000 2.707 54 R HA 0.092 4.434 4.340 0.004 0.000 0.270 54 R C 0.259 176.715 176.300 0.259 0.000 1.083 54 R CA 0.072 56.259 56.100 0.145 0.000 1.182 54 R CB 0.008 30.374 30.300 0.111 0.000 1.084 54 R HN 0.670 nan 8.270 nan 0.000 0.528 55 H N -1.850 117.265 119.070 0.075 0.000 2.992 55 H HA -0.155 4.403 4.556 0.004 0.000 0.266 55 H C 0.124 175.521 175.328 0.115 0.000 1.200 55 H CA 0.501 56.614 56.048 0.108 0.000 1.135 55 H CB -1.073 28.751 29.762 0.103 0.000 1.282 55 H HN 0.709 nan 8.280 nan 0.000 0.351 56 S N 0.166 115.991 115.700 0.207 0.000 2.608 56 S HA 0.194 4.667 4.470 0.004 0.000 0.261 56 S C 1.698 176.367 174.600 0.115 0.000 1.314 56 S CA -0.084 58.206 58.200 0.150 0.000 0.992 56 S CB 1.710 64.977 63.200 0.113 0.000 0.935 56 S HN 0.395 nan 8.310 nan 0.000 0.564 57 S N 0.917 116.670 115.700 0.089 0.000 2.442 57 S HA -0.072 4.400 4.470 0.004 0.000 0.236 57 S C 1.729 176.346 174.600 0.028 0.000 1.007 57 S CA 0.789 59.026 58.200 0.061 0.000 0.965 57 S CB -0.996 62.236 63.200 0.053 0.000 0.773 57 S HN 0.659 nan 8.310 nan 0.000 0.504 58 L N 2.091 123.333 121.223 0.032 0.000 2.046 58 L HA -0.073 4.270 4.340 0.004 0.000 0.208 58 L C 2.947 179.813 176.870 -0.007 0.000 1.077 58 L CA 1.561 56.407 54.840 0.011 0.000 0.747 58 L CB -0.794 41.277 42.059 0.021 0.000 0.896 58 L HN 0.588 nan 8.230 nan 0.000 0.432 59 S N -2.460 113.248 115.700 0.013 0.000 2.558 59 S HA -0.025 4.448 4.470 0.004 0.000 0.217 59 S C 0.616 175.178 174.600 -0.063 0.000 0.975 59 S CA -0.297 57.904 58.200 0.002 0.000 0.912 59 S CB -0.221 63.006 63.200 0.045 0.000 0.776 59 S HN 0.266 nan 8.310 nan 0.000 0.526 60 D N 3.003 123.340 120.400 -0.104 0.000 2.280 60 D HA 0.300 4.943 4.640 0.004 0.000 0.243 60 D C -1.492 174.547 176.300 -0.435 0.000 1.129 60 D CA -2.204 51.595 54.000 -0.335 0.000 0.848 60 D CB 1.840 42.589 40.800 -0.086 0.000 1.107 60 D HN 0.064 nan 8.370 nan 0.000 0.471 61 P HA 0.008 nan 4.420 nan 0.000 0.236 61 P C 0.427 177.477 177.300 -0.417 0.000 1.177 61 P CA 0.180 62.971 63.100 -0.516 0.000 0.773 61 P CB 0.271 31.589 31.700 -0.636 0.000 0.878 62 M N 0.178 119.513 119.600 -0.442 0.000 2.247 62 M HA 0.352 4.834 4.480 0.004 0.000 0.326 62 M C 1.277 177.523 176.300 -0.090 0.000 1.134 62 M CA -0.856 54.262 55.300 -0.302 0.000 1.136 62 M CB -0.253 32.145 32.600 -0.336 0.000 1.454 62 M HN -0.188 nan 8.290 nan 0.000 0.467 63 G N 0.963 109.759 108.800 -0.008 0.000 2.636 63 G HA2 0.088 4.050 3.960 0.004 0.000 0.246 63 G HA3 0.088 4.050 3.960 0.004 0.000 0.246 63 G C 0.852 175.824 174.900 0.119 0.000 1.216 63 G CA -0.418 44.717 45.100 0.058 0.000 0.854 63 G HN 0.682 nan 8.290 nan 0.000 0.572 64 K N -0.217 120.236 120.400 0.087 0.000 2.209 64 K HA -0.069 4.253 4.320 0.004 0.000 0.204 64 K C 1.363 178.038 176.600 0.124 0.000 1.048 64 K CA 1.025 57.370 56.287 0.098 0.000 0.940 64 K CB 0.072 32.611 32.500 0.066 0.000 0.729 64 K HN 0.469 nan 8.250 nan 0.000 0.451 65 D N -0.652 119.826 120.400 0.129 0.000 2.339 65 D HA -0.042 4.600 4.640 0.004 0.000 0.217 65 D C 0.215 176.613 176.300 0.162 0.000 1.050 65 D CA -0.206 53.864 54.000 0.117 0.000 0.856 65 D CB -0.207 40.647 40.800 0.090 0.000 0.922 65 D HN -0.002 nan 8.370 nan 0.000 0.518 66 F N 2.504 122.501 119.950 0.078 0.000 2.608 66 F HA 0.041 4.570 4.527 0.004 0.000 0.380 66 F C 0.490 176.372 175.800 0.137 0.000 1.083 66 F CA -0.056 58.009 58.000 0.109 0.000 1.266 66 F CB 0.335 39.409 39.000 0.124 0.000 1.076 66 F HN -0.252 nan 8.300 nan 0.000 0.574 67 N N 6.069 124.395 118.700 -0.622 0.000 2.524 67 N HA 0.012 4.755 4.740 0.004 0.000 0.261 67 N C 0.154 175.204 175.510 -0.768 0.000 0.998 67 N CA -0.459 52.297 53.050 -0.489 0.000 0.915 67 N CB 0.438 38.798 38.487 -0.212 0.000 1.187 67 N HN 0.774 nan 8.380 nan 0.000 0.507 68 Y N 4.523 124.369 120.300 -0.757 0.000 2.242 68 Y HA -0.009 4.543 4.550 0.004 0.000 0.291 68 Y C 1.943 177.779 175.900 -0.106 0.000 1.137 68 Y CA 2.072 59.916 58.100 -0.427 0.000 1.181 68 Y CB -0.174 38.279 38.460 -0.012 0.000 0.989 68 Y HN 0.641 nan 8.280 nan 0.000 0.527 69 A N 0.237 122.904 122.820 -0.255 0.000 1.940 69 A HA -0.263 4.059 4.320 0.004 0.000 0.219 69 A C 2.140 179.620 177.584 -0.173 0.000 1.176 69 A CA 2.021 53.921 52.037 -0.228 0.000 0.631 69 A CB -0.698 18.258 19.000 -0.073 0.000 0.814 69 A HN 0.669 nan 8.150 nan 0.000 0.446 70 Q N -0.961 118.739 119.800 -0.166 0.000 2.172 70 Q HA -0.022 4.320 4.340 0.004 0.000 0.200 70 Q C 2.408 178.353 176.000 -0.091 0.000 0.964 70 Q CA 1.077 56.819 55.803 -0.102 0.000 0.855 70 Q CB -0.308 28.379 28.738 -0.086 0.000 0.918 70 Q HN 0.706 nan 8.270 nan 0.000 0.444 71 A N 0.444 123.188 122.820 -0.126 0.000 1.873 71 A HA -0.175 4.147 4.320 0.004 0.000 0.215 71 A C 1.822 179.376 177.584 -0.051 0.000 1.186 71 A CA 0.956 52.993 52.037 -0.000 0.000 0.616 71 A CB -0.728 18.400 19.000 0.214 0.000 0.823 71 A HN 0.449 nan 8.150 nan 0.000 0.442 72 F N 0.905 120.629 119.950 -0.377 0.000 2.171 72 F HA -0.123 4.406 4.527 0.004 0.000 0.300 72 F C 2.144 177.851 175.800 -0.155 0.000 1.090 72 F CA 1.895 59.703 58.000 -0.321 0.000 1.293 72 F CB 0.016 38.652 39.000 -0.607 0.000 1.013 72 F HN 0.195 nan 8.300 nan 0.000 0.486 73 E N 0.533 120.694 120.200 -0.066 0.000 2.333 73 E HA -0.174 4.179 4.350 0.004 0.000 0.198 73 E C 1.731 178.243 176.600 -0.146 0.000 1.007 73 E CA 0.943 57.291 56.400 -0.087 0.000 0.845 73 E CB -0.248 29.453 29.700 0.000 0.000 0.766 73 E HN 0.531 nan 8.360 nan 0.000 0.507 74 K N 0.274 120.595 120.400 -0.132 0.000 2.404 74 K HA 0.064 4.387 4.320 0.004 0.000 0.194 74 K C 0.693 177.216 176.600 -0.129 0.000 1.023 74 K CA -0.337 55.889 56.287 -0.101 0.000 1.094 74 K CB 0.234 32.708 32.500 -0.043 0.000 0.841 74 K HN -0.032 nan 8.250 nan 0.000 0.523 75 L N 2.080 123.162 121.223 -0.235 0.000 2.456 75 L HA 0.020 4.362 4.340 0.004 0.000 0.272 75 L C -0.009 176.723 176.870 -0.230 0.000 1.189 75 L CA 0.346 55.050 54.840 -0.228 0.000 0.846 75 L CB 0.542 42.340 42.059 -0.435 0.000 1.111 75 L HN -0.049 nan 8.230 nan 0.000 0.475 76 D N 3.891 124.214 120.400 -0.127 0.000 2.470 76 D HA 0.009 4.651 4.640 0.004 0.000 0.226 76 D C 0.921 177.105 176.300 -0.193 0.000 1.196 76 D CA -0.103 53.831 54.000 -0.110 0.000 0.979 76 D CB 0.338 41.134 40.800 -0.008 0.000 1.059 76 D HN 0.621 nan 8.370 nan 0.000 0.515 77 L N 4.198 125.287 121.223 -0.223 0.000 2.131 77 L HA -0.033 4.310 4.340 0.004 0.000 0.210 77 L C 2.053 178.823 176.870 -0.166 0.000 1.092 77 L CA 1.917 56.619 54.840 -0.230 0.000 0.759 77 L CB -0.473 41.490 42.059 -0.160 0.000 0.903 77 L HN 0.380 nan 8.230 nan 0.000 0.435 78 A N -0.484 122.272 122.820 -0.107 0.000 1.933 78 A HA -0.108 4.215 4.320 0.004 0.000 0.218 78 A C 2.457 180.005 177.584 -0.060 0.000 1.175 78 A CA 1.725 53.722 52.037 -0.066 0.000 0.628 78 A CB -1.082 17.892 19.000 -0.043 0.000 0.814 78 A HN 0.555 nan 8.150 nan 0.000 0.444 79 A N -0.517 122.268 122.820 -0.058 0.000 1.898 79 A HA 0.013 4.335 4.320 0.004 0.000 0.216 79 A C 2.203 179.762 177.584 -0.041 0.000 1.181 79 A CA 1.738 53.779 52.037 0.007 0.000 0.620 79 A CB -0.928 18.136 19.000 0.106 0.000 0.819 79 A HN 0.415 nan 8.150 nan 0.000 0.442 80 V N 0.268 119.998 119.914 -0.306 0.000 2.407 80 V HA -0.286 3.837 4.120 0.004 0.000 0.248 80 V C 2.396 178.369 176.094 -0.202 0.000 1.055 80 V CA 2.360 64.364 62.300 -0.493 0.000 1.049 80 V CB -0.730 30.667 31.823 -0.709 0.000 0.662 80 V HN 0.545 nan 8.190 nan 0.000 0.455 81 K N -0.161 120.153 120.400 -0.144 0.000 2.097 81 K HA -0.112 4.211 4.320 0.004 0.000 0.205 81 K C 2.392 179.048 176.600 0.093 0.000 1.050 81 K CA 1.171 57.431 56.287 -0.045 0.000 0.938 81 K CB -0.223 32.271 32.500 -0.009 0.000 0.718 81 K HN 0.417 nan 8.250 nan 0.000 0.442 82 R N 0.888 121.425 120.500 0.061 0.000 2.081 82 R HA -0.118 4.225 4.340 0.004 0.000 0.235 82 R C 1.708 178.063 176.300 0.092 0.000 1.131 82 R CA 1.438 57.589 56.100 0.085 0.000 0.960 82 R CB -0.206 30.116 30.300 0.036 0.000 0.856 82 R HN 0.192 nan 8.270 nan 0.000 0.436 83 D N 0.684 121.123 120.400 0.066 0.000 2.178 83 D HA -0.097 4.546 4.640 0.004 0.000 0.202 83 D C 1.940 178.262 176.300 0.035 0.000 0.974 83 D CA 0.938 54.980 54.000 0.069 0.000 0.841 83 D CB -0.002 40.868 40.800 0.118 0.000 0.953 83 D HN 0.184 nan 8.370 nan 0.000 0.478 84 L N 0.109 121.320 121.223 -0.020 0.000 2.109 84 L HA -0.121 4.221 4.340 0.004 0.000 0.207 84 L C 2.461 179.293 176.870 -0.064 0.000 1.086 84 L CA 0.820 55.602 54.840 -0.097 0.000 0.760 84 L CB -0.359 41.572 42.059 -0.213 0.000 0.910 84 L HN 0.156 nan 8.230 nan 0.000 0.437 85 H N -0.153 118.901 119.070 -0.026 0.000 2.352 85 H HA -0.143 4.415 4.556 0.004 0.000 0.299 85 H C 2.243 177.574 175.328 0.005 0.000 1.097 85 H CA 1.604 57.651 56.048 -0.001 0.000 1.311 85 H CB 0.094 29.856 29.762 0.000 0.000 1.377 85 H HN 0.370 nan 8.280 nan 0.000 0.504 86 A N 1.023 123.923 122.820 0.133 0.000 1.933 86 A HA -0.127 4.196 4.320 0.004 0.000 0.218 86 A C 2.487 180.119 177.584 0.081 0.000 1.175 86 A CA 1.222 53.310 52.037 0.085 0.000 0.628 86 A CB -0.686 18.355 19.000 0.069 0.000 0.814 86 A HN 0.317 nan 8.150 nan 0.000 0.444 87 L N -0.829 120.449 121.223 0.093 0.000 2.141 87 L HA -0.122 4.220 4.340 0.004 0.000 0.209 87 L C 2.172 179.185 176.870 0.238 0.000 1.094 87 L CA 1.696 56.631 54.840 0.158 0.000 0.763 87 L CB -0.497 41.643 42.059 0.134 0.000 0.908 87 L HN 0.286 nan 8.230 nan 0.000 0.437 88 M N -0.349 119.331 119.600 0.132 0.000 2.144 88 M HA -0.156 4.327 4.480 0.004 0.000 0.260 88 M C 1.714 177.919 176.300 -0.158 0.000 1.067 88 M CA 2.107 57.416 55.300 0.015 0.000 1.095 88 M CB -1.828 30.598 32.600 -0.292 0.000 1.365 88 M HN 0.620 nan 8.290 nan 0.000 0.406 89 T N -4.323 110.160 114.554 -0.117 0.000 3.182 89 T HA 0.170 4.522 4.350 0.004 0.000 0.277 89 T C 0.348 175.016 174.700 -0.053 0.000 1.013 89 T CA -0.274 61.741 62.100 -0.142 0.000 0.900 89 T CB -0.360 68.444 68.868 -0.107 0.000 1.098 89 T HN 0.071 nan 8.240 nan 0.000 0.543 90 T N 2.752 117.334 114.554 0.046 0.000 3.316 90 T HA 0.407 4.760 4.350 0.004 0.000 0.341 90 T C 0.167 174.942 174.700 0.125 0.000 1.397 90 T CA -0.225 61.925 62.100 0.082 0.000 1.085 90 T CB 0.396 69.334 68.868 0.118 0.000 1.160 90 T HN 0.392 nan 8.240 nan 0.000 0.694 91 S N 3.347 119.037 115.700 -0.016 0.000 2.549 91 S HA 0.200 4.673 4.470 0.004 0.000 0.279 91 S C -0.013 174.591 174.600 0.007 0.000 1.321 91 S CA -0.626 57.536 58.200 -0.063 0.000 1.054 91 S CB 0.385 63.476 63.200 -0.183 0.000 0.899 91 S HN 0.441 nan 8.310 nan 0.000 0.497 92 Q N 2.772 122.552 119.800 -0.033 0.000 2.256 92 Q HA 0.262 4.605 4.340 0.004 0.000 0.257 92 Q C 0.170 175.982 176.000 -0.314 0.000 0.936 92 Q CA -0.643 54.993 55.803 -0.278 0.000 0.903 92 Q CB 1.512 29.741 28.738 -0.848 0.000 1.263 92 Q HN 0.691 nan 8.270 nan 0.000 0.440 93 D N 1.418 121.732 120.400 -0.144 0.000 2.264 93 D HA -0.128 4.514 4.640 0.004 0.000 0.208 93 D C 1.515 177.828 176.300 0.022 0.000 0.966 93 D CA 0.826 54.800 54.000 -0.045 0.000 0.864 93 D CB 0.153 40.982 40.800 0.048 0.000 0.933 93 D HN 0.691 nan 8.370 nan 0.000 0.499 94 W N -1.517 119.876 121.300 0.155 0.000 2.937 94 W HA 0.068 4.731 4.660 0.004 0.000 0.245 94 W C 0.267 177.001 176.519 0.358 0.000 1.306 94 W CA -0.282 57.180 57.345 0.194 0.000 1.470 94 W CB -0.427 29.133 29.460 0.167 0.000 1.132 94 W HN -0.046 nan 8.180 nan 0.000 0.675 95 W N 3.085 124.227 121.300 -0.263 0.000 1.824 95 W HA 0.226 4.889 4.660 0.004 0.000 0.304 95 W C -2.964 173.503 176.519 -0.087 0.000 1.021 95 W CA -1.733 55.534 57.345 -0.130 0.000 1.088 95 W CB 0.535 29.914 29.460 -0.134 0.000 1.089 95 W HN -0.356 nan 8.180 nan 0.000 0.296 96 P HA 0.067 nan 4.420 nan 0.000 0.268 96 P C -0.050 177.184 177.300 -0.110 0.000 1.205 96 P CA 0.566 63.572 63.100 -0.157 0.000 0.771 96 P CB 0.835 32.445 31.700 -0.150 0.000 0.858 97 A N 2.937 125.583 122.820 -0.291 0.000 2.454 97 A HA 0.146 4.469 4.320 0.004 0.000 0.260 97 A C 0.081 177.484 177.584 -0.300 0.000 1.106 97 A CA -0.262 51.449 52.037 -0.543 0.000 0.780 97 A CB -0.409 17.857 19.000 -1.222 0.000 1.044 97 A HN 0.437 nan 8.150 nan 0.000 0.498 98 D N 1.662 121.936 120.400 -0.209 0.000 2.455 98 D HA 0.195 4.837 4.640 0.004 0.000 0.241 98 D C 0.483 176.503 176.300 -0.467 0.000 1.138 98 D CA 0.688 54.345 54.000 -0.572 0.000 0.877 98 D CB -0.183 40.501 40.800 -0.193 0.000 1.187 98 D HN 0.507 nan 8.370 nan 0.000 0.451 99 F N 0.366 119.964 119.950 -0.586 0.000 3.021 99 F HA -0.272 4.257 4.527 0.004 0.000 0.294 99 F C 1.571 177.246 175.800 -0.208 0.000 0.761 99 F CA 0.588 58.400 58.000 -0.313 0.000 1.102 99 F CB -1.936 36.975 39.000 -0.148 0.000 1.380 99 F HN 0.637 nan 8.300 nan 0.000 0.387 100 G N -0.763 107.930 108.800 -0.178 0.000 2.143 100 G HA2 -0.308 3.654 3.960 0.004 0.000 0.248 100 G HA3 -0.308 3.654 3.960 0.004 0.000 0.248 100 G C -0.168 174.684 174.900 -0.079 0.000 0.991 100 G CA 0.387 45.406 45.100 -0.134 0.000 0.689 100 G HN 0.982 nan 8.290 nan 0.000 0.522 101 H N -1.656 117.326 119.070 -0.146 0.000 3.017 101 H HA 0.404 4.963 4.556 0.004 0.000 0.340 101 H C -0.297 175.014 175.328 -0.030 0.000 1.014 101 H CA -0.847 55.164 56.048 -0.061 0.000 1.341 101 H CB 0.874 30.672 29.762 0.060 0.000 1.739 101 H HN 0.022 nan 8.280 nan 0.000 0.506 102 Y N 2.858 123.263 120.300 0.174 0.000 2.462 102 Y HA 0.094 4.647 4.550 0.004 0.000 0.293 102 Y C 2.138 178.132 175.900 0.157 0.000 1.195 102 Y CA 0.778 58.890 58.100 0.020 0.000 1.276 102 Y CB 0.173 38.474 38.460 -0.265 0.000 1.082 102 Y HN 0.813 nan 8.280 nan 0.000 0.514 103 G N -0.121 109.087 108.800 0.681 0.000 2.418 103 G HA2 -0.238 3.724 3.960 0.004 0.000 0.217 103 G HA3 -0.238 3.724 3.960 0.004 0.000 0.217 103 G C 2.044 177.075 174.900 0.219 0.000 1.158 103 G CA 0.904 46.277 45.100 0.455 0.000 0.771 103 G HN 0.507 nan 8.290 nan 0.000 0.545 104 G N 0.846 109.777 108.800 0.218 0.000 2.418 104 G HA2 -0.158 3.805 3.960 0.004 0.000 0.217 104 G HA3 -0.158 3.805 3.960 0.004 0.000 0.217 104 G C 1.756 176.792 174.900 0.227 0.000 1.158 104 G CA 1.053 46.297 45.100 0.241 0.000 0.771 104 G HN 0.417 nan 8.290 nan 0.000 0.545 105 L N -0.459 120.876 121.223 0.188 0.000 2.042 105 L HA 0.088 4.431 4.340 0.004 0.000 0.210 105 L C 2.436 179.348 176.870 0.070 0.000 1.076 105 L CA 1.610 56.499 54.840 0.083 0.000 0.749 105 L CB -0.527 41.522 42.059 -0.017 0.000 0.893 105 L HN 0.163 nan 8.230 nan 0.000 0.432 106 F N -0.589 119.458 119.950 0.161 0.000 2.259 106 F HA -0.054 4.476 4.527 0.004 0.000 0.298 106 F C 2.310 178.183 175.800 0.122 0.000 1.088 106 F CA 0.962 59.030 58.000 0.114 0.000 1.358 106 F CB -0.674 38.386 39.000 0.099 0.000 1.040 106 F HN 0.032 nan 8.300 nan 0.000 0.505 107 I N -0.289 120.445 120.570 0.273 0.000 2.179 107 I HA -0.304 3.868 4.170 0.004 0.000 0.242 107 I C 2.708 179.015 176.117 0.316 0.000 1.088 107 I CA 1.311 62.736 61.300 0.208 0.000 1.357 107 I CB -0.422 37.559 38.000 -0.032 0.000 1.051 107 I HN 0.015 nan 8.210 nan 0.000 0.409 108 R N 1.017 121.659 120.500 0.236 0.000 2.091 108 R HA -0.236 4.106 4.340 0.004 0.000 0.238 108 R C 2.411 178.750 176.300 0.065 0.000 1.136 108 R CA 1.750 57.945 56.100 0.158 0.000 0.959 108 R CB -0.261 30.069 30.300 0.051 0.000 0.856 108 R HN 0.321 nan 8.270 nan 0.000 0.437 109 M N 0.457 120.122 119.600 0.109 0.000 2.086 109 M HA -0.057 4.425 4.480 0.004 0.000 0.261 109 M C 0.856 177.255 176.300 0.164 0.000 1.067 109 M CA 1.633 56.996 55.300 0.106 0.000 1.116 109 M CB -0.151 32.579 32.600 0.217 0.000 1.348 109 M HN 0.243 nan 8.290 nan 0.000 0.407 113 S N 1.230 116.958 115.700 0.047 0.000 2.353 113 S HA -0.139 4.334 4.470 0.004 0.000 0.222 113 S C 2.191 176.734 174.600 -0.095 0.000 1.035 113 S CA 1.616 59.784 58.200 -0.054 0.000 1.025 113 S CB -0.184 62.987 63.200 -0.047 0.000 0.902 113 S HN 0.467 nan 8.310 nan 0.000 0.440 114 A N 0.317 123.066 122.820 -0.119 0.000 2.014 114 A HA 0.240 4.562 4.320 0.004 0.000 0.218 114 A C 2.190 179.720 177.584 -0.090 0.000 1.163 114 A CA 1.391 53.332 52.037 -0.161 0.000 0.652 114 A CB -1.202 17.627 19.000 -0.286 0.000 0.808 114 A HN 0.628 nan 8.150 nan 0.000 0.449 115 G N -0.443 108.294 108.800 -0.105 0.000 2.679 115 G HA2 -0.018 3.944 3.960 0.004 0.000 0.212 115 G HA3 -0.018 3.944 3.960 0.004 0.000 0.212 115 G C 1.347 176.082 174.900 -0.275 0.000 1.137 115 G CA 1.478 46.453 45.100 -0.208 0.000 0.787 115 G HN 0.637 nan 8.290 nan 0.000 0.534 116 T N -2.914 111.585 114.554 -0.093 0.000 3.100 116 T HA 0.105 4.458 4.350 0.004 0.000 0.253 116 T C 0.922 175.757 174.700 0.225 0.000 1.118 116 T CA -0.574 61.554 62.100 0.047 0.000 1.058 116 T CB -0.258 68.608 68.868 -0.002 0.000 0.953 116 T HN 0.168 nan 8.240 nan 0.000 0.515 117 Y N 3.366 123.687 120.300 0.035 0.000 2.702 117 Y HA 0.320 4.872 4.550 0.003 0.000 0.336 117 Y C 0.050 175.990 175.900 0.067 0.000 1.235 117 Y CA -0.621 57.500 58.100 0.035 0.000 1.492 117 Y CB 0.344 38.785 38.460 -0.032 0.000 1.308 117 Y HN 0.080 nan 8.280 nan 0.000 0.589 118 R N 2.601 122.711 120.500 -0.651 0.000 2.532 118 R HA 0.231 4.574 4.340 0.004 0.000 0.297 118 R C 0.937 176.715 176.300 -0.870 0.000 0.984 118 R CA 0.004 55.790 56.100 -0.524 0.000 0.884 118 R CB 1.265 31.420 30.300 -0.241 0.000 1.182 118 R HN 0.756 nan 8.270 nan 0.000 0.442 119 T N -1.059 113.125 114.554 -0.618 0.000 2.962 119 T HA -0.136 4.217 4.350 0.004 0.000 0.270 119 T C 1.824 176.388 174.700 -0.228 0.000 1.088 119 T CA 1.066 62.934 62.100 -0.385 0.000 1.127 119 T CB -0.053 68.752 68.868 -0.105 0.000 0.883 119 T HN 0.522 nan 8.240 nan 0.000 0.493 120 A N 2.955 125.657 122.820 -0.197 0.000 1.908 120 A HA -0.118 4.205 4.320 0.004 0.000 0.218 120 A C 2.075 179.568 177.584 -0.152 0.000 1.181 120 A CA 1.899 53.851 52.037 -0.142 0.000 0.627 120 A CB -0.524 18.403 19.000 -0.122 0.000 0.818 120 A HN 0.772 nan 8.150 nan 0.000 0.445 121 D N -4.436 115.851 120.400 -0.187 0.000 2.500 121 D HA 0.303 4.945 4.640 0.004 0.000 0.217 121 D C 1.111 177.316 176.300 -0.159 0.000 1.159 121 D CA 0.935 54.839 54.000 -0.160 0.000 0.828 121 D CB -0.511 40.196 40.800 -0.155 0.000 1.039 121 D HN 0.872 nan 8.370 nan 0.000 0.512 122 G N 0.798 109.462 108.800 -0.225 0.000 2.184 122 G HA2 -0.346 3.616 3.960 0.004 0.000 0.264 122 G HA3 -0.346 3.616 3.960 0.004 0.000 0.264 122 G C 0.372 175.243 174.900 -0.048 0.000 0.975 122 G CA 0.186 45.214 45.100 -0.120 0.000 0.642 122 G HN 0.441 nan 8.290 nan 0.000 0.536 123 R N 0.313 120.726 120.500 -0.144 0.000 2.637 123 R HA 0.519 4.861 4.340 0.004 0.000 0.269 123 R C 1.188 177.483 176.300 -0.008 0.000 1.089 123 R CA 0.547 56.590 56.100 -0.094 0.000 1.177 123 R CB 0.382 30.561 30.300 -0.203 0.000 1.091 123 R HN 1.458 nan 8.270 nan 0.000 0.540 124 G N -0.410 108.441 108.800 0.084 0.000 2.741 124 G HA2 0.145 4.107 3.960 0.004 0.000 0.222 124 G HA3 0.145 4.107 3.960 0.004 0.000 0.222 124 G C 0.086 175.127 174.900 0.234 0.000 1.364 124 G CA -0.365 44.889 45.100 0.255 0.000 0.866 124 G HN 1.157 nan 8.290 nan 0.000 0.555 125 G N -2.664 106.244 108.800 0.180 0.000 2.710 125 G HA2 0.440 4.402 3.960 0.004 0.000 0.668 125 G HA3 0.440 4.402 3.960 0.004 0.000 0.668 125 G C 0.940 175.812 174.900 -0.048 0.000 1.320 125 G CA 1.056 46.184 45.100 0.046 0.000 0.860 125 G HN 2.489 nan 8.290 nan 0.000 0.538 126 A N -0.474 122.261 122.820 -0.141 0.000 2.178 126 A HA 0.514 4.836 4.320 0.004 0.000 0.211 126 A C 2.495 179.994 177.584 -0.141 0.000 1.157 126 A CA 1.776 53.722 52.037 -0.152 0.000 0.780 126 A CB -0.352 18.518 19.000 -0.216 0.000 0.828 126 A HN 2.279 nan 8.150 nan 0.000 0.476 127 G N -0.504 108.214 108.800 -0.136 0.000 2.679 127 G HA2 -0.009 3.954 3.960 0.004 0.000 0.212 127 G HA3 -0.009 3.954 3.960 0.004 0.000 0.212 127 G C 0.936 175.782 174.900 -0.090 0.000 1.137 127 G CA 0.660 45.679 45.100 -0.135 0.000 0.787 127 G HN 0.624 nan 8.290 nan 0.000 0.534 128 E N -0.776 119.387 120.200 -0.062 0.000 2.660 128 E HA 0.279 4.632 4.350 0.004 0.000 0.216 128 E C 1.378 177.932 176.600 -0.077 0.000 0.986 128 E CA 0.022 56.389 56.400 -0.055 0.000 1.037 128 E CB 0.648 30.353 29.700 0.007 0.000 1.041 128 E HN 0.249 nan 8.360 nan 0.000 0.480 129 G N 2.259 111.003 108.800 -0.094 0.000 2.225 129 G HA2 -0.337 3.626 3.960 0.004 0.000 0.267 129 G HA3 -0.337 3.626 3.960 0.004 0.000 0.267 129 G C 0.878 175.668 174.900 -0.183 0.000 1.024 129 G CA 0.313 45.333 45.100 -0.133 0.000 0.784 129 G HN 0.236 nan 8.290 nan 0.000 0.507 130 Q N -0.822 118.925 119.800 -0.089 0.000 2.488 130 Q HA -0.018 4.325 4.340 0.004 0.000 0.211 130 Q C 2.303 178.199 176.000 -0.174 0.000 0.967 130 Q CA 1.113 56.906 55.803 -0.017 0.000 0.926 130 Q CB 0.039 28.817 28.738 0.066 0.000 0.992 130 Q HN 0.888 nan 8.270 nan 0.000 0.506 131 Q N 1.207 120.856 119.800 -0.252 0.000 2.364 131 Q HA -0.153 4.190 4.340 0.004 0.000 0.209 131 Q C 1.682 177.452 176.000 -0.384 0.000 0.977 131 Q CA 0.892 56.516 55.803 -0.300 0.000 0.885 131 Q CB 0.152 28.752 28.738 -0.230 0.000 0.941 131 Q HN 0.333 nan 8.270 nan 0.000 0.464 132 R N -1.238 118.912 120.500 -0.583 0.000 2.310 132 R HA 0.113 4.455 4.340 0.004 0.000 0.202 132 R C -0.368 175.448 176.300 -0.806 0.000 0.933 132 R CA -0.077 55.547 56.100 -0.794 0.000 1.054 132 R CB 0.181 29.791 30.300 -1.151 0.000 0.985 132 R HN 0.008 nan 8.270 nan 0.000 0.489 133 F N 0.669 120.478 119.950 -0.235 0.000 2.594 133 F HA 0.599 5.128 4.527 0.004 0.000 0.335 133 F C 0.609 176.315 175.800 -0.156 0.000 1.058 133 F CA -1.542 56.356 58.000 -0.171 0.000 0.981 133 F CB 1.145 40.070 39.000 -0.125 0.000 1.289 133 F HN -0.079 nan 8.300 nan 0.000 0.490 134 A N 1.833 124.736 122.820 0.137 0.000 2.445 134 A HA 0.284 4.606 4.320 0.004 0.000 0.242 134 A C -1.725 175.907 177.584 0.080 0.000 1.075 134 A CA -0.935 51.140 52.037 0.064 0.000 0.777 134 A CB -0.297 18.751 19.000 0.081 0.000 1.013 134 A HN 0.573 nan 8.150 nan 0.000 0.493 135 P HA 0.027 nan 4.420 nan 0.000 0.245 135 P C 1.186 178.327 177.300 -0.265 0.000 1.203 135 P CA 0.490 63.622 63.100 0.053 0.000 0.792 135 P CB 0.108 31.997 31.700 0.315 0.000 0.997 136 L N 0.999 121.872 121.223 -0.583 0.000 2.131 136 L HA -0.158 4.184 4.340 0.004 0.000 0.210 136 L C 2.262 178.854 176.870 -0.463 0.000 1.092 136 L CA 1.702 55.945 54.840 -0.995 0.000 0.759 136 L CB -1.196 40.344 42.059 -0.865 0.000 0.903 136 L HN 0.133 nan 8.230 nan 0.000 0.435 137 N N -1.306 117.235 118.700 -0.265 0.000 2.443 137 N HA -0.144 4.598 4.740 0.004 0.000 0.184 137 N C 1.192 176.688 175.510 -0.023 0.000 1.037 137 N CA 1.150 54.108 53.050 -0.154 0.000 0.896 137 N CB -0.265 38.105 38.487 -0.195 0.000 0.959 137 N HN 0.076 nan 8.380 nan 0.000 0.442 138 S N -1.553 114.123 115.700 -0.040 0.000 2.701 138 S HA 0.181 4.653 4.470 0.004 0.000 0.242 138 S C -0.626 174.007 174.600 0.056 0.000 1.025 138 S CA -0.801 57.380 58.200 -0.032 0.000 1.016 138 S CB 0.114 63.207 63.200 -0.178 0.000 0.977 138 S HN 0.243 nan 8.310 nan 0.000 0.546 139 W N 3.064 124.238 121.300 -0.210 0.000 2.170 139 W HA 0.246 4.908 4.660 0.004 0.000 0.342 139 W C -2.010 174.373 176.519 -0.226 0.000 1.294 139 W CA -1.981 55.115 57.345 -0.416 0.000 1.246 139 W CB -0.305 29.002 29.460 -0.257 0.000 1.156 139 W HN 0.082 nan 8.180 nan 0.000 0.572 140 P HA -0.200 nan 4.420 nan 0.000 0.216 140 P C 1.170 178.396 177.300 -0.123 0.000 1.150 140 P CA 1.779 64.810 63.100 -0.114 0.000 0.837 140 P CB 0.318 31.940 31.700 -0.130 0.000 0.786 141 D N -1.617 118.777 120.400 -0.010 0.000 2.350 141 D HA -0.062 4.581 4.640 0.004 0.000 0.216 141 D C 0.726 177.118 176.300 0.154 0.000 0.968 141 D CA 0.704 54.749 54.000 0.075 0.000 0.894 141 D CB -0.566 40.284 40.800 0.084 0.000 0.909 141 D HN 0.011 nan 8.370 nan 0.000 0.520 142 N N -0.010 118.726 118.700 0.059 0.000 2.273 142 N HA 0.187 4.930 4.740 0.004 0.000 0.231 142 N C -0.441 174.807 175.510 -0.437 0.000 1.134 142 N CA -0.117 52.927 53.050 -0.009 0.000 0.856 142 N CB 0.498 39.030 38.487 0.075 0.000 1.068 142 N HN -0.003 nan 8.380 nan 0.000 0.510 143 A N 0.856 123.153 122.820 -0.872 0.000 2.498 143 A HA 0.162 4.484 4.320 0.004 0.000 0.239 143 A C 0.997 178.009 177.584 -0.953 0.000 1.068 143 A CA 0.032 50.925 52.037 -1.907 0.000 0.766 143 A CB 0.060 18.078 19.000 -1.638 0.000 1.003 143 A HN 0.471 nan 8.150 nan 0.000 0.497 144 N N -0.180 118.045 118.700 -0.792 0.000 2.900 144 N HA -0.189 4.553 4.740 0.004 0.000 0.240 144 N C 0.759 176.053 175.510 -0.360 0.000 0.953 144 N CA 1.590 54.350 53.050 -0.483 0.000 0.950 144 N CB -1.308 36.877 38.487 -0.504 0.000 1.102 144 N HN 0.670 nan 8.380 nan 0.000 0.593 145 L N 1.234 122.302 121.223 -0.257 0.000 2.376 145 L HA -0.110 4.233 4.340 0.004 0.000 0.219 145 L C 2.126 178.943 176.870 -0.088 0.000 1.133 145 L CA 1.381 56.133 54.840 -0.145 0.000 0.816 145 L CB -0.388 41.603 42.059 -0.113 0.000 0.933 145 L HN 0.233 nan 8.230 nan 0.000 0.449 146 D N 0.219 120.601 120.400 -0.031 0.000 2.178 146 D HA -0.209 4.433 4.640 0.004 0.000 0.201 146 D C 1.662 177.914 176.300 -0.081 0.000 0.980 146 D CA 1.025 54.998 54.000 -0.046 0.000 0.842 146 D CB -0.161 40.651 40.800 0.020 0.000 0.948 146 D HN 0.219 nan 8.370 nan 0.000 0.472 147 K N 1.290 121.582 120.400 -0.180 0.000 2.025 147 K HA 0.042 4.365 4.320 0.004 0.000 0.207 147 K C 2.429 179.029 176.600 -0.001 0.000 1.049 147 K CA 1.228 57.437 56.287 -0.130 0.000 0.933 147 K CB -0.868 31.190 32.500 -0.738 0.000 0.714 147 K HN 0.260 nan 8.250 nan 0.000 0.438 148 A N 2.213 124.978 122.820 -0.092 0.000 1.883 148 A HA -0.197 4.125 4.320 0.004 0.000 0.217 148 A C 2.300 180.057 177.584 0.288 0.000 1.186 148 A CA 1.576 53.640 52.037 0.044 0.000 0.624 148 A CB -0.470 18.557 19.000 0.045 0.000 0.822 148 A HN 0.275 nan 8.150 nan 0.000 0.444 149 R N -1.351 119.250 120.500 0.169 0.000 2.081 149 R HA -0.132 4.211 4.340 0.004 0.000 0.235 149 R C 2.408 178.906 176.300 0.330 0.000 1.131 149 R CA 1.524 57.747 56.100 0.205 0.000 0.960 149 R CB -0.280 29.954 30.300 -0.110 0.000 0.856 149 R HN 0.416 nan 8.270 nan 0.000 0.436 150 R N 1.446 122.087 120.500 0.235 0.000 2.115 150 R HA -0.017 4.325 4.340 0.004 0.000 0.230 150 R C 1.948 178.542 176.300 0.489 0.000 1.111 150 R CA 1.156 57.434 56.100 0.297 0.000 0.976 150 R CB -0.605 29.757 30.300 0.103 0.000 0.870 150 R HN 0.204 nan 8.270 nan 0.000 0.445 151 L N -0.067 121.458 121.223 0.503 0.000 2.265 151 L HA -0.099 4.243 4.340 0.004 0.000 0.215 151 L C 1.689 178.773 176.870 0.357 0.000 1.117 151 L CA 0.838 55.930 54.840 0.420 0.000 0.782 151 L CB -0.204 41.971 42.059 0.192 0.000 0.914 151 L HN 0.206 nan 8.230 nan 0.000 0.441 152 L N -1.749 119.706 121.223 0.387 0.000 2.558 152 L HA -0.103 4.239 4.340 0.004 0.000 0.225 152 L C 2.167 179.173 176.870 0.226 0.000 1.128 152 L CA 0.117 55.104 54.840 0.245 0.000 0.868 152 L CB -0.352 41.857 42.059 0.250 0.000 1.006 152 L HN 0.493 nan 8.230 nan 0.000 0.454 153 W N 2.938 124.376 121.300 0.231 0.000 2.338 153 W HA -0.161 4.502 4.660 0.004 0.000 0.304 153 W C -1.044 175.508 176.519 0.055 0.000 1.212 153 W CA 1.100 58.547 57.345 0.171 0.000 1.264 153 W CB -0.976 28.634 29.460 0.250 0.000 1.142 153 W HN 0.103 nan 8.180 nan 0.000 0.512 154 P HA -0.178 nan 4.420 nan 0.000 0.217 154 P C 1.766 178.857 177.300 -0.349 0.000 1.150 154 P CA 2.048 64.902 63.100 -0.409 0.000 0.832 154 P CB -0.267 31.359 31.700 -0.124 0.000 0.787 155 I N -0.798 119.666 120.570 -0.176 0.000 2.252 155 I HA -0.234 3.938 4.170 0.004 0.000 0.245 155 I C 2.360 178.407 176.117 -0.116 0.000 1.102 155 I CA 1.302 62.563 61.300 -0.065 0.000 1.385 155 I CB -0.282 37.713 38.000 -0.008 0.000 1.064 155 I HN -0.133 nan 8.210 nan 0.000 0.414 156 K N 1.195 121.422 120.400 -0.288 0.000 2.063 156 K HA -0.276 4.046 4.320 0.004 0.000 0.208 156 K C 2.129 178.521 176.600 -0.346 0.000 1.048 156 K CA 1.725 57.792 56.287 -0.367 0.000 0.928 156 K CB -0.315 31.782 32.500 -0.671 0.000 0.713 156 K HN 0.295 nan 8.250 nan 0.000 0.442 157 Q N 0.411 119.768 119.800 -0.739 0.000 2.084 157 Q HA -0.225 4.117 4.340 0.004 0.000 0.202 157 Q C 2.037 177.786 176.000 -0.418 0.000 0.978 157 Q CA 1.944 57.274 55.803 -0.789 0.000 0.844 157 Q CB -0.170 27.719 28.738 -1.415 0.000 0.898 157 Q HN 0.359 nan 8.270 nan 0.000 0.426 158 K N -0.829 119.319 120.400 -0.420 0.000 2.097 158 K HA -0.174 4.148 4.320 0.004 0.000 0.205 158 K C 1.168 177.454 176.600 -0.523 0.000 1.050 158 K CA 1.433 57.440 56.287 -0.466 0.000 0.938 158 K CB -0.041 32.122 32.500 -0.563 0.000 0.718 158 K HN 0.327 nan 8.250 nan 0.000 0.442 159 Y N -0.136 120.081 120.300 -0.138 0.000 2.478 159 Y HA 0.182 4.734 4.550 0.004 0.000 0.261 159 Y C 1.500 177.383 175.900 -0.028 0.000 1.127 159 Y CA 0.215 58.271 58.100 -0.074 0.000 1.288 159 Y CB 0.582 39.002 38.460 -0.068 0.000 1.084 159 Y HN 0.350 nan 8.280 nan 0.000 0.530 160 G N 1.873 110.706 108.800 0.055 0.000 2.611 160 G HA2 -0.438 3.525 3.960 0.004 0.000 0.301 160 G HA3 -0.438 3.525 3.960 0.004 0.000 0.301 160 G C 1.232 176.229 174.900 0.162 0.000 1.233 160 G CA 0.830 45.978 45.100 0.080 0.000 0.993 160 G HN 0.487 nan 8.290 nan 0.000 0.553 161 R N 0.964 121.577 120.500 0.189 0.000 2.276 161 R HA 0.460 4.802 4.340 0.004 0.000 0.203 161 R C 2.478 179.081 176.300 0.505 0.000 1.017 161 R CA 1.658 57.932 56.100 0.291 0.000 1.010 161 R CB -0.272 30.113 30.300 0.142 0.000 0.900 161 R HN 0.992 nan 8.270 nan 0.000 0.469 162 A N 1.361 124.402 122.820 0.369 0.000 2.168 162 A HA 0.140 4.462 4.320 0.004 0.000 0.215 162 A C 1.065 178.909 177.584 0.435 0.000 1.152 162 A CA 0.382 52.624 52.037 0.342 0.000 0.716 162 A CB 0.010 19.124 19.000 0.190 0.000 0.794 162 A HN 0.427 nan 8.150 nan 0.000 0.465 163 I N 0.810 121.638 120.570 0.429 0.000 2.478 163 I HA 0.279 4.452 4.170 0.004 0.000 0.287 163 I C 0.136 176.434 176.117 0.301 0.000 1.042 163 I CA -0.657 60.913 61.300 0.451 0.000 1.067 163 I CB 1.899 40.025 38.000 0.211 0.000 1.233 163 I HN 0.210 nan 8.210 nan 0.000 0.431 164 S N 4.478 120.336 115.700 0.264 0.000 2.593 164 S HA 0.145 4.618 4.470 0.004 0.000 0.269 164 S C 0.700 175.307 174.600 0.011 0.000 1.334 164 S CA -0.282 57.884 58.200 -0.057 0.000 1.015 164 S CB 0.709 63.649 63.200 -0.432 0.000 0.912 164 S HN 0.810 nan 8.310 nan 0.000 0.541 165 W N 0.962 122.223 121.300 -0.065 0.000 2.342 165 W HA -0.075 4.588 4.660 0.004 0.000 0.297 165 W C 2.739 179.200 176.519 -0.096 0.000 1.213 165 W CA 1.167 58.469 57.345 -0.072 0.000 1.251 165 W CB -0.512 28.857 29.460 -0.152 0.000 1.136 165 W HN 0.925 nan 8.180 nan 0.000 0.526 166 A N -0.090 122.786 122.820 0.093 0.000 1.898 166 A HA -0.210 4.112 4.320 0.004 0.000 0.216 166 A C 1.658 179.259 177.584 0.028 0.000 1.181 166 A CA 2.078 54.117 52.037 0.003 0.000 0.620 166 A CB -0.777 18.169 19.000 -0.091 0.000 0.819 166 A HN 0.136 nan 8.150 nan 0.000 0.442 167 D N -0.594 119.841 120.400 0.060 0.000 2.149 167 D HA -0.085 4.558 4.640 0.004 0.000 0.201 167 D C 1.827 178.246 176.300 0.199 0.000 0.972 167 D CA 0.891 54.999 54.000 0.180 0.000 0.835 167 D CB -0.318 40.644 40.800 0.270 0.000 0.966 167 D HN 0.306 nan 8.370 nan 0.000 0.476 168 L N 0.843 122.136 121.223 0.118 0.000 2.042 168 L HA -0.123 4.219 4.340 0.004 0.000 0.210 168 L C 2.142 179.033 176.870 0.035 0.000 1.076 168 L CA 1.365 56.221 54.840 0.026 0.000 0.749 168 L CB -0.521 41.504 42.059 -0.056 0.000 0.893 168 L HN 0.023 nan 8.230 nan 0.000 0.432 169 L N -1.323 119.967 121.223 0.112 0.000 2.046 169 L HA -0.230 4.112 4.340 0.004 0.000 0.208 169 L C 2.448 179.362 176.870 0.073 0.000 1.077 169 L CA 0.881 55.780 54.840 0.098 0.000 0.747 169 L CB -0.727 41.389 42.059 0.095 0.000 0.896 169 L HN 0.258 nan 8.230 nan 0.000 0.432 170 I N -0.329 120.293 120.570 0.087 0.000 2.286 170 I HA -0.214 3.959 4.170 0.004 0.000 0.245 170 I C 2.467 178.663 176.117 0.133 0.000 1.104 170 I CA 1.175 62.555 61.300 0.133 0.000 1.397 170 I CB -0.965 37.114 38.000 0.132 0.000 1.072 170 I HN 0.228 nan 8.210 nan 0.000 0.417 171 L N 0.803 121.996 121.223 -0.051 0.000 2.083 171 L HA -0.170 4.172 4.340 0.004 0.000 0.209 171 L C 2.410 179.131 176.870 -0.248 0.000 1.083 171 L CA 1.959 56.521 54.840 -0.464 0.000 0.752 171 L CB -0.965 40.719 42.059 -0.625 0.000 0.899 171 L HN 0.161 nan 8.230 nan 0.000 0.433 172 T N -0.601 113.843 114.554 -0.183 0.000 2.746 172 T HA -0.114 4.238 4.350 0.004 0.000 0.267 172 T C 1.717 176.349 174.700 -0.114 0.000 1.039 172 T CA 1.276 63.223 62.100 -0.254 0.000 1.142 172 T CB -0.924 67.704 68.868 -0.401 0.000 0.866 172 T HN 0.589 nan 8.240 nan 0.000 0.444 173 G N 1.735 110.582 108.800 0.078 0.000 2.440 173 G HA2 -0.269 3.693 3.960 0.004 0.000 0.218 173 G HA3 -0.269 3.693 3.960 0.004 0.000 0.218 173 G C 1.636 176.606 174.900 0.117 0.000 1.154 173 G CA 0.912 46.150 45.100 0.230 0.000 0.767 173 G HN 0.397 nan 8.290 nan 0.000 0.552 174 N N 0.268 119.078 118.700 0.183 0.000 2.069 174 N HA -0.109 4.633 4.740 0.004 0.000 0.191 174 N C 2.240 177.705 175.510 -0.076 0.000 1.031 174 N CA 1.241 54.347 53.050 0.094 0.000 0.852 174 N CB -0.608 37.962 38.487 0.140 0.000 1.018 174 N HN 0.176 nan 8.380 nan 0.000 0.423 175 V N 0.904 120.724 119.914 -0.157 0.000 2.515 175 V HA -0.150 3.973 4.120 0.004 0.000 0.250 175 V C 2.215 178.160 176.094 -0.249 0.000 1.058 175 V CA 1.596 63.724 62.300 -0.285 0.000 1.064 175 V CB -0.977 30.607 31.823 -0.399 0.000 0.675 175 V HN 0.335 nan 8.190 nan 0.000 0.461 176 A N 0.050 122.792 122.820 -0.130 0.000 1.877 176 A HA -0.180 4.143 4.320 0.004 0.000 0.216 176 A C 2.208 179.696 177.584 -0.161 0.000 1.186 176 A CA 1.864 53.886 52.037 -0.026 0.000 0.620 176 A CB -0.550 18.490 19.000 0.066 0.000 0.822 176 A HN 0.489 nan 8.150 nan 0.000 0.443 177 L N -0.695 120.354 121.223 -0.291 0.000 2.012 177 L HA -0.252 4.090 4.340 0.004 0.000 0.210 177 L C 2.651 179.483 176.870 -0.064 0.000 1.073 177 L CA 1.951 56.594 54.840 -0.328 0.000 0.748 177 L CB -0.644 41.193 42.059 -0.371 0.000 0.891 177 L HN 0.478 nan 8.230 nan 0.000 0.431 178 E N -0.769 119.414 120.200 -0.028 0.000 2.077 178 E HA -0.223 4.129 4.350 0.004 0.000 0.193 178 E C 2.337 179.035 176.600 0.164 0.000 0.989 178 E CA 1.366 57.805 56.400 0.065 0.000 0.800 178 E CB -0.144 29.609 29.700 0.088 0.000 0.746 178 E HN 0.301 nan 8.360 nan 0.000 0.452 179 S N 0.375 116.165 115.700 0.149 0.000 2.383 179 S HA -0.133 4.339 4.470 0.004 0.000 0.229 179 S C 1.736 176.480 174.600 0.240 0.000 1.030 179 S CA 1.103 59.473 58.200 0.283 0.000 1.002 179 S CB -0.045 63.315 63.200 0.267 0.000 0.829 179 S HN 0.182 nan 8.310 nan 0.000 0.467 180 M N 0.267 119.950 119.600 0.139 0.000 2.505 180 M HA 0.241 4.724 4.480 0.004 0.000 0.230 180 M C 1.214 177.700 176.300 0.310 0.000 1.153 180 M CA 0.545 55.941 55.300 0.160 0.000 0.997 180 M CB 0.446 33.095 32.600 0.082 0.000 1.606 180 M HN 0.530 nan 8.290 nan 0.000 0.481 181 G N 1.251 110.200 108.800 0.249 0.000 2.144 181 G HA2 -0.261 3.701 3.960 0.004 0.000 0.218 181 G HA3 -0.261 3.701 3.960 0.004 0.000 0.218 181 G C -0.400 174.634 174.900 0.223 0.000 0.988 181 G CA -0.601 44.648 45.100 0.247 0.000 0.659 181 G HN 0.452 nan 8.290 nan 0.000 0.522 182 F N 1.769 121.710 119.950 -0.015 0.000 2.444 182 F HA 0.672 5.201 4.527 0.004 0.000 0.342 182 F C 0.329 175.984 175.800 -0.241 0.000 1.121 182 F CA -1.333 56.494 58.000 -0.287 0.000 0.997 182 F CB 1.250 40.038 39.000 -0.352 0.000 1.130 182 F HN 0.019 nan 8.300 nan 0.000 0.454 183 K N 5.344 125.227 120.400 -0.862 0.000 2.276 183 K HA 0.269 4.591 4.320 0.004 0.000 0.285 183 K C -0.186 176.022 176.600 -0.653 0.000 1.062 183 K CA -0.334 55.618 56.287 -0.558 0.000 0.918 183 K CB 0.584 32.822 32.500 -0.437 0.000 1.055 183 K HN 0.813 nan 8.250 nan 0.000 0.477 184 T N 1.054 115.465 114.554 -0.239 0.000 2.849 184 T HA 0.139 4.492 4.350 0.004 0.000 0.284 184 T C 0.754 175.463 174.700 0.015 0.000 1.004 184 T CA -0.637 61.445 62.100 -0.030 0.000 1.021 184 T CB 0.604 69.558 68.868 0.144 0.000 1.013 184 T HN 0.539 nan 8.240 nan 0.000 0.527 185 F N 0.952 120.876 119.950 -0.044 0.000 2.661 185 F HA 0.412 4.941 4.527 0.004 0.000 0.298 185 F C 1.229 176.893 175.800 -0.226 0.000 1.137 185 F CA 0.913 58.826 58.000 -0.145 0.000 1.454 185 F CB -0.424 38.503 39.000 -0.122 0.000 1.103 185 F HN 1.217 nan 8.300 nan 0.000 0.577 186 G N -0.579 108.223 108.800 0.004 0.000 2.357 186 G HA2 0.282 4.245 3.960 0.004 0.000 0.289 186 G HA3 0.282 4.245 3.960 0.004 0.000 0.289 186 G C -2.043 173.043 174.900 0.310 0.000 1.302 186 G CA -0.485 44.582 45.100 -0.055 0.000 0.936 186 G HN 0.270 nan 8.290 nan 0.000 0.513 187 F N -0.011 120.016 119.950 0.128 0.000 2.672 187 F HA 0.769 5.299 4.527 0.005 0.000 0.311 187 F C -0.730 175.208 175.800 0.231 0.000 1.113 187 F CA 0.070 58.250 58.000 0.299 0.000 0.996 187 F CB 1.349 40.486 39.000 0.229 0.000 1.286 187 F HN 1.547 nan 8.300 nan 0.000 0.441 188 A N 3.097 125.560 122.820 -0.594 0.000 2.365 188 A HA 0.850 5.172 4.320 0.004 0.000 0.318 188 A C -0.299 176.552 177.584 -1.221 0.000 1.091 188 A CA -0.229 51.422 52.037 -0.643 0.000 0.763 188 A CB 1.147 19.789 19.000 -0.597 0.000 1.248 188 A HN 1.372 nan 8.150 nan 0.000 0.442 189 G N -0.786 107.542 108.800 -0.787 0.000 2.535 189 G HA2 0.571 4.533 3.960 0.004 0.000 0.303 189 G HA3 0.571 4.533 3.960 0.004 0.000 0.303 189 G C 0.770 175.226 174.900 -0.740 0.000 1.237 189 G CA -0.165 44.302 45.100 -1.054 0.000 0.986 189 G HN 2.160 nan 8.290 nan 0.000 0.494 190 G N -1.492 106.979 108.800 -0.548 0.000 2.273 190 G HA2 -0.165 3.797 3.960 0.004 0.000 0.162 190 G HA3 -0.165 3.797 3.960 0.004 0.000 0.162 190 G C 0.376 175.307 174.900 0.052 0.000 1.006 190 G CA -0.465 44.534 45.100 -0.168 0.000 0.704 190 G HN 0.693 nan 8.290 nan 0.000 0.487 191 R N 1.350 121.837 120.500 -0.021 0.000 2.325 191 R HA 0.585 4.927 4.340 0.004 0.000 0.323 191 R C 0.906 177.104 176.300 -0.170 0.000 1.177 191 R CA 0.497 56.543 56.100 -0.090 0.000 1.018 191 R CB 0.795 31.008 30.300 -0.145 0.000 1.070 191 R HN 0.452 nan 8.270 nan 0.000 0.495 192 A N 3.029 125.784 122.820 -0.109 0.000 2.462 192 A HA 0.036 4.358 4.320 0.004 0.000 0.243 192 A C 0.015 177.433 177.584 -0.278 0.000 1.076 192 A CA -0.396 51.467 52.037 -0.290 0.000 0.773 192 A CB 0.277 19.297 19.000 0.034 0.000 1.010 192 A HN 0.548 nan 8.150 nan 0.000 0.493 193 D N 0.588 120.778 120.400 -0.350 0.000 2.378 193 D HA 0.376 5.019 4.640 0.004 0.000 0.238 193 D C 0.834 176.812 176.300 -0.537 0.000 1.180 193 D CA 1.101 54.852 54.000 -0.414 0.000 0.895 193 D CB 0.829 41.318 40.800 -0.518 0.000 1.192 193 D HN 0.709 nan 8.370 nan 0.000 0.438 194 T N -2.469 111.682 114.554 -0.672 0.000 2.910 194 T HA 0.534 4.887 4.350 0.004 0.000 0.287 194 T C 0.018 174.188 174.700 -0.884 0.000 1.050 194 T CA -0.824 60.876 62.100 -0.666 0.000 1.011 194 T CB 1.173 69.851 68.868 -0.316 0.000 1.195 194 T HN 0.538 nan 8.240 nan 0.000 0.540 195 W N 0.173 121.388 121.300 -0.143 0.000 2.534 195 W HA 0.332 4.994 4.660 0.004 0.000 0.339 195 W C 0.543 176.696 176.519 -0.610 0.000 0.961 195 W CA -0.620 56.619 57.345 -0.175 0.000 1.545 195 W CB 0.704 30.118 29.460 -0.076 0.000 1.104 195 W HN 0.967 nan 8.180 nan 0.000 0.538 196 E N -0.228 119.572 120.200 -0.667 0.000 2.433 196 E HA 0.430 4.783 4.350 0.004 0.000 0.278 196 E C -2.891 173.320 176.600 -0.649 0.000 0.976 196 E CA -2.543 53.432 56.400 -0.708 0.000 0.793 196 E CB 1.986 31.546 29.700 -0.234 0.000 1.311 196 E HN -0.375 nan 8.360 nan 0.000 0.460 197 P HA 0.042 nan 4.420 nan 0.000 0.268 197 P C -0.598 176.701 177.300 -0.001 0.000 1.205 197 P CA 0.055 63.087 63.100 -0.114 0.000 0.771 197 P CB 0.472 32.169 31.700 -0.004 0.000 0.858 198 E N 1.789 122.035 120.200 0.077 0.000 2.390 198 E HA 0.080 4.433 4.350 0.004 0.000 0.261 198 E C -0.254 176.384 176.600 0.063 0.000 1.076 198 E CA 0.156 56.605 56.400 0.082 0.000 0.905 198 E CB 0.440 30.195 29.700 0.093 0.000 0.984 198 E HN 0.383 nan 8.360 nan 0.000 0.427 199 D N 1.985 122.391 120.400 0.010 0.000 2.380 199 D HA 0.203 4.845 4.640 0.004 0.000 0.230 199 D C -0.555 175.691 176.300 -0.091 0.000 1.154 199 D CA -0.139 53.857 54.000 -0.007 0.000 0.859 199 D CB 1.096 41.886 40.800 -0.016 0.000 1.045 199 D HN -0.032 nan 8.370 nan 0.000 0.495 200 V N 3.012 122.823 119.914 -0.173 0.000 2.604 200 V HA 0.117 4.239 4.120 0.004 0.000 0.305 200 V C -0.479 175.302 176.094 -0.521 0.000 1.043 200 V CA -1.075 60.921 62.300 -0.506 0.000 0.888 200 V CB 1.938 33.145 31.823 -1.026 0.000 0.995 200 V HN 0.395 nan 8.190 nan 0.000 0.429 201 Y N 3.004 123.010 120.300 -0.490 0.000 2.531 201 Y HA 0.214 4.767 4.550 0.004 0.000 0.347 201 Y C 0.215 175.899 175.900 -0.361 0.000 1.024 201 Y CA -0.493 57.423 58.100 -0.307 0.000 1.306 201 Y CB 0.590 38.932 38.460 -0.195 0.000 1.149 201 Y HN 0.774 nan 8.280 nan 0.000 0.527 202 W N 4.208 125.269 121.300 -0.398 0.000 3.220 202 W HA 0.476 5.139 4.660 0.004 0.000 0.328 202 W C 0.780 176.948 176.519 -0.585 0.000 1.205 202 W CA 0.484 57.651 57.345 -0.296 0.000 1.773 202 W CB 0.595 30.099 29.460 0.073 0.000 1.086 202 W HN 0.965 nan 8.180 nan 0.000 0.622 203 G N -0.641 107.540 108.800 -1.031 0.000 2.351 203 G HA2 -0.010 3.952 3.960 0.004 0.000 0.353 203 G HA3 -0.010 3.952 3.960 0.004 0.000 0.353 203 G C -0.101 174.548 174.900 -0.419 0.000 1.358 203 G CA -0.341 44.298 45.100 -0.767 0.000 0.995 203 G HN -0.249 nan 8.290 nan 0.000 0.611 204 S N -0.249 115.397 115.700 -0.090 0.000 2.559 204 S HA 0.256 4.729 4.470 0.004 0.000 0.226 204 S C 0.555 175.131 174.600 -0.039 0.000 1.000 204 S CA 0.152 58.375 58.200 0.039 0.000 0.948 204 S CB 0.308 63.593 63.200 0.140 0.000 0.870 204 S HN 0.574 nan 8.310 nan 0.000 0.497 205 E N 1.816 121.958 120.200 -0.096 0.000 2.398 205 E HA 0.152 4.504 4.350 0.004 0.000 0.263 205 E C 0.618 177.107 176.600 -0.186 0.000 1.046 205 E CA 0.099 56.429 56.400 -0.117 0.000 0.908 205 E CB 0.437 30.059 29.700 -0.129 0.000 0.963 205 E HN -0.129 nan 8.360 nan 0.000 0.431 206 K N 1.451 121.752 120.400 -0.164 0.000 2.373 206 K HA 0.307 4.630 4.320 0.004 0.000 0.202 206 K C -0.161 176.292 176.600 -0.244 0.000 1.025 206 K CA 0.089 56.254 56.287 -0.203 0.000 1.115 206 K CB 0.309 32.737 32.500 -0.120 0.000 0.858 206 K HN 0.435 nan 8.250 nan 0.000 0.525 207 I N 0.459 120.891 120.570 -0.230 0.000 2.418 207 I HA 0.256 4.428 4.170 0.004 0.000 0.287 207 I C -0.493 175.511 176.117 -0.189 0.000 1.008 207 I CA -1.085 60.114 61.300 -0.168 0.000 1.104 207 I CB 1.222 39.188 38.000 -0.056 0.000 1.264 207 I HN -0.053 nan 8.210 nan 0.000 0.438 208 W N 6.932 128.212 121.300 -0.034 0.000 2.314 208 W HA 0.123 4.785 4.660 0.004 0.000 0.339 208 W C 0.982 177.463 176.519 -0.064 0.000 1.293 208 W CA -0.006 57.301 57.345 -0.064 0.000 1.288 208 W CB 0.182 29.623 29.460 -0.032 0.000 1.186 208 W HN 0.467 nan 8.180 nan 0.000 0.566 209 L N 0.906 122.239 121.223 0.182 0.000 4.291 209 L HA -0.285 4.057 4.340 0.004 0.000 0.413 209 L C 0.692 177.593 176.870 0.052 0.000 1.162 209 L CA 0.262 55.154 54.840 0.086 0.000 0.961 209 L CB -1.777 40.335 42.059 0.089 0.000 2.095 209 L HN 0.572 nan 8.230 nan 0.000 0.838 210 E N 1.179 121.394 120.200 0.025 0.000 2.414 210 E HA 0.278 4.630 4.350 0.004 0.000 0.263 210 E C 0.362 176.984 176.600 0.036 0.000 1.000 210 E CA -0.281 56.132 56.400 0.021 0.000 0.914 210 E CB 0.617 30.313 29.700 -0.007 0.000 0.948 210 E HN 0.251 nan 8.360 nan 0.000 0.444 211 L N 2.669 123.916 121.223 0.040 0.000 2.476 211 L HA 0.119 4.461 4.340 0.004 0.000 0.255 211 L C 0.928 177.834 176.870 0.060 0.000 1.218 211 L CA -0.574 54.295 54.840 0.048 0.000 0.819 211 L CB 0.658 42.738 42.059 0.035 0.000 1.119 211 L HN 0.628 nan 8.230 nan 0.000 0.485 212 S N -0.339 115.402 115.700 0.070 0.000 2.589 212 S HA 0.384 4.856 4.470 0.004 0.000 0.265 212 S C 0.974 175.618 174.600 0.074 0.000 1.342 212 S CA -0.062 58.205 58.200 0.112 0.000 1.005 212 S CB 1.138 64.393 63.200 0.090 0.000 0.909 212 S HN 1.113 nan 8.310 nan 0.000 0.555 213 G N 0.088 108.945 108.800 0.095 0.000 2.176 213 G HA2 -0.076 3.887 3.960 0.004 0.000 0.253 213 G HA3 -0.076 3.887 3.960 0.004 0.000 0.253 213 G C 0.545 175.473 174.900 0.047 0.000 0.979 213 G CA 0.149 45.287 45.100 0.063 0.000 0.641 213 G HN 1.343 nan 8.290 nan 0.000 0.530 214 G N 0.203 109.030 108.800 0.046 0.000 2.553 214 G HA2 0.591 4.553 3.960 0.004 0.000 0.278 214 G HA3 0.591 4.553 3.960 0.004 0.000 0.278 214 G C -0.143 174.773 174.900 0.026 0.000 1.349 214 G CA 0.047 45.164 45.100 0.029 0.000 1.037 214 G HN 0.137 nan 8.290 nan 0.000 0.508 215 P HA -0.037 nan 4.420 nan 0.000 0.222 215 P C 0.395 177.705 177.300 0.018 0.000 1.147 215 P CA 0.845 63.954 63.100 0.015 0.000 0.790 215 P CB 0.328 32.032 31.700 0.006 0.000 0.780 216 N N -0.312 118.398 118.700 0.016 0.000 2.535 216 N HA 0.055 4.797 4.740 0.004 0.000 0.294 216 N C -0.194 175.333 175.510 0.028 0.000 1.408 216 N CA -0.023 53.039 53.050 0.020 0.000 0.927 216 N CB 0.394 38.884 38.487 0.005 0.000 1.276 216 N HN -0.026 nan 8.380 nan 0.000 0.505 217 S N 1.099 116.824 115.700 0.041 0.000 2.537 217 S HA -0.004 4.469 4.470 0.004 0.000 0.286 217 S C 1.539 176.165 174.600 0.044 0.000 1.299 217 S CA -0.304 57.934 58.200 0.065 0.000 1.067 217 S CB 0.615 63.871 63.200 0.092 0.000 0.864 217 S HN 0.480 nan 8.310 nan 0.000 0.494 218 R N 3.471 123.979 120.500 0.013 0.000 2.313 218 R HA 0.119 4.462 4.340 0.004 0.000 0.199 218 R C -0.532 175.605 176.300 -0.272 0.000 0.958 218 R CA 0.363 56.395 56.100 -0.115 0.000 1.047 218 R CB -0.151 30.044 30.300 -0.174 0.000 0.955 218 R HN 0.579 nan 8.270 nan 0.000 0.481 219 Y N 0.790 121.112 120.300 0.036 0.000 2.446 219 Y HA 0.399 4.951 4.550 0.004 0.000 0.338 219 Y C 0.268 176.188 175.900 0.033 0.000 1.055 219 Y CA -0.398 57.724 58.100 0.036 0.000 1.101 219 Y CB 2.182 40.663 38.460 0.034 0.000 1.221 219 Y HN 0.159 nan 8.280 nan 0.000 0.460 220 S N 0.430 116.244 115.700 0.189 0.000 2.671 220 S HA 0.877 5.350 4.470 0.004 0.000 0.277 220 S C 0.034 174.707 174.600 0.121 0.000 1.165 220 S CA -0.398 57.877 58.200 0.126 0.000 0.822 220 S CB 1.396 64.642 63.200 0.077 0.000 1.150 220 S HN 1.506 nan 8.310 nan 0.000 0.479 221 G N 1.305 110.155 108.800 0.083 0.000 2.547 221 G HA2 -0.231 3.732 3.960 0.004 0.000 0.271 221 G HA3 -0.231 3.732 3.960 0.004 0.000 0.271 221 G C -0.372 174.570 174.900 0.070 0.000 1.209 221 G CA 0.563 45.704 45.100 0.068 0.000 0.959 221 G HN 1.177 nan 8.290 nan 0.000 0.563 222 D N 1.138 121.578 120.400 0.067 0.000 2.713 222 D HA 0.387 5.029 4.640 0.004 0.000 0.229 222 D C 1.195 177.540 176.300 0.076 0.000 1.136 222 D CA 0.334 54.367 54.000 0.055 0.000 1.010 222 D CB -0.757 40.070 40.800 0.045 0.000 1.084 222 D HN 0.768 nan 8.370 nan 0.000 0.495 223 R N 1.468 122.021 120.500 0.088 0.000 3.251 223 R HA -0.194 4.149 4.340 0.004 0.000 0.249 223 R C -0.811 175.677 176.300 0.312 0.000 0.949 223 R CA 0.433 56.604 56.100 0.118 0.000 0.645 223 R CB -0.840 29.419 30.300 -0.067 0.000 1.065 223 R HN 0.367 nan 8.270 nan 0.000 0.452 224 Q N 1.325 121.312 119.800 0.312 0.000 2.303 224 Q HA 0.198 4.540 4.340 0.004 0.000 0.257 224 Q C -0.242 175.839 176.000 0.135 0.000 0.941 224 Q CA -0.690 55.238 55.803 0.209 0.000 0.931 224 Q CB 1.521 30.327 28.738 0.114 0.000 1.215 224 Q HN 0.299 nan 8.270 nan 0.000 0.437 225 L N 3.284 124.510 121.223 0.004 0.000 2.331 225 L HA 0.140 4.483 4.340 0.004 0.000 0.278 225 L C 0.364 177.133 176.870 -0.168 0.000 1.106 225 L CA -0.029 54.606 54.840 -0.340 0.000 0.824 225 L CB 0.632 42.544 42.059 -0.244 0.000 1.142 225 L HN 0.552 nan 8.230 nan 0.000 0.443 226 E N 3.220 123.308 120.200 -0.187 0.000 2.417 226 E HA 0.029 4.381 4.350 0.004 0.000 0.261 226 E C -0.650 175.927 176.600 -0.039 0.000 1.000 226 E CA -0.092 56.266 56.400 -0.069 0.000 0.919 226 E CB -0.001 29.684 29.700 -0.025 0.000 0.955 226 E HN 0.693 nan 8.360 nan 0.000 0.455 227 N N 4.093 122.773 118.700 -0.033 0.000 2.492 227 N HA 0.042 4.784 4.740 0.004 0.000 0.260 227 N C -1.733 173.764 175.510 -0.022 0.000 1.215 227 N CA -1.005 52.022 53.050 -0.038 0.000 0.923 227 N CB 0.718 39.167 38.487 -0.064 0.000 1.092 227 N HN 0.557 nan 8.380 nan 0.000 0.448 228 P HA 0.143 nan 4.420 nan 0.000 0.266 228 P C -0.626 176.667 177.300 -0.011 0.000 1.561 228 P CA 0.081 63.161 63.100 -0.033 0.000 1.089 228 P CB 0.358 32.022 31.700 -0.060 0.000 1.534 229 L N 0.275 121.510 121.223 0.020 0.000 2.436 229 L HA 0.471 4.813 4.340 0.004 0.000 0.265 229 L C 1.123 178.004 176.870 0.019 0.000 1.168 229 L CA -0.359 54.492 54.840 0.019 0.000 0.815 229 L CB 0.634 42.685 42.059 -0.013 0.000 1.109 229 L HN -0.045 nan 8.230 nan 0.000 0.462 230 A N 1.622 124.484 122.820 0.069 0.000 2.568 230 A HA 0.704 5.027 4.320 0.004 0.000 0.287 230 A C -0.003 177.679 177.584 0.162 0.000 0.967 230 A CA 0.170 52.269 52.037 0.102 0.000 1.004 230 A CB 0.381 19.442 19.000 0.102 0.000 1.233 230 A HN 0.701 nan 8.150 nan 0.000 0.513 231 A N -0.730 122.156 122.820 0.110 0.000 2.556 231 A HA 0.642 4.964 4.320 0.004 0.000 0.294 231 A C 0.790 178.426 177.584 0.087 0.000 1.091 231 A CA 0.215 52.315 52.037 0.105 0.000 0.704 231 A CB 0.749 19.750 19.000 0.001 0.000 1.300 231 A HN 1.158 nan 8.150 nan 0.000 0.406 232 V N -2.198 117.804 119.914 0.146 0.000 3.235 232 V HA 0.243 4.365 4.120 0.004 0.000 0.259 232 V C 0.353 176.567 176.094 0.200 0.000 1.133 232 V CA 1.162 63.618 62.300 0.260 0.000 1.128 232 V CB -0.962 31.029 31.823 0.280 0.000 0.757 232 V HN 0.699 nan 8.190 nan 0.000 0.469 233 Q N 0.016 119.851 119.800 0.057 0.000 2.377 233 Q HA 0.554 4.897 4.340 0.004 0.000 0.279 233 Q C -1.088 174.842 176.000 -0.115 0.000 1.049 233 Q CA -0.969 54.839 55.803 0.008 0.000 0.825 233 Q CB 2.455 31.207 28.738 0.023 0.000 1.401 233 Q HN 0.325 nan 8.270 nan 0.000 0.404 234 M N 1.351 120.874 119.600 -0.129 0.000 2.356 234 M HA 0.292 4.774 4.480 0.004 0.000 0.348 234 M C 0.792 176.940 176.300 -0.253 0.000 1.595 234 M CA 1.869 57.027 55.300 -0.237 0.000 1.095 234 M CB -0.512 31.953 32.600 -0.226 0.000 1.963 234 M HN 0.861 nan 8.290 nan 0.000 0.459 235 G N 3.821 112.144 108.800 -0.795 0.000 2.179 235 G HA2 -0.164 3.798 3.960 0.004 0.000 0.220 235 G HA3 -0.164 3.798 3.960 0.004 0.000 0.220 235 G C -0.207 174.224 174.900 -0.782 0.000 0.990 235 G CA 0.052 44.498 45.100 -1.091 0.000 0.646 235 G HN 0.699 nan 8.290 nan 0.000 0.517 236 L N 1.169 122.041 121.223 -0.586 0.000 2.360 236 L HA 0.479 4.822 4.340 0.004 0.000 0.271 236 L C 1.811 178.513 176.870 -0.280 0.000 1.057 236 L CA -1.393 53.277 54.840 -0.284 0.000 0.803 236 L CB 0.826 42.819 42.059 -0.110 0.000 1.207 236 L HN -0.135 nan 8.230 nan 0.000 0.445 237 I N 0.454 120.901 120.570 -0.205 0.000 2.235 237 I HA -0.157 4.016 4.170 0.004 0.000 0.241 237 I C 1.245 177.043 176.117 -0.531 0.000 1.085 237 I CA 2.029 63.102 61.300 -0.379 0.000 1.378 237 I CB -0.541 37.045 38.000 -0.690 0.000 1.076 237 I HN 0.649 nan 8.210 nan 0.000 0.415 238 Y N -0.573 119.725 120.300 -0.003 0.000 3.266 238 Y HA 0.253 4.805 4.550 0.004 0.000 0.189 238 Y C 0.740 176.704 175.900 0.107 0.000 0.895 238 Y CA -0.319 57.806 58.100 0.042 0.000 1.706 238 Y CB 0.101 38.599 38.460 0.062 0.000 1.449 238 Y HN -0.149 nan 8.280 nan 0.000 0.391 239 V N -1.255 118.862 119.914 0.338 0.000 3.164 239 V HA 0.525 4.648 4.120 0.004 0.000 0.313 239 V C -0.848 175.360 176.094 0.190 0.000 1.188 239 V CA -1.151 61.300 62.300 0.252 0.000 1.058 239 V CB 1.702 33.685 31.823 0.266 0.000 1.110 239 V HN 0.296 nan 8.190 nan 0.000 0.453 240 N N 2.199 120.995 118.700 0.161 0.000 2.434 240 N HA 0.419 5.162 4.740 0.004 0.000 0.272 240 N C -1.614 173.993 175.510 0.161 0.000 1.040 240 N CA -2.037 51.096 53.050 0.138 0.000 0.956 240 N CB 1.759 40.314 38.487 0.113 0.000 1.108 240 N HN 0.608 nan 8.380 nan 0.000 0.481 241 P HA -0.042 nan 4.420 nan 0.000 0.226 241 P C 0.265 177.682 177.300 0.196 0.000 1.153 241 P CA 1.071 64.290 63.100 0.198 0.000 0.777 241 P CB 0.537 32.359 31.700 0.203 0.000 0.794 242 E N -0.248 120.058 120.200 0.176 0.000 2.299 242 E HA 0.238 4.590 4.350 0.004 0.000 0.193 242 E C 1.020 177.743 176.600 0.204 0.000 0.998 242 E CA 0.456 56.982 56.400 0.210 0.000 0.851 242 E CB -0.028 29.799 29.700 0.213 0.000 0.795 242 E HN 0.266 nan 8.360 nan 0.000 0.492 243 G N 1.052 109.950 108.800 0.164 0.000 2.355 243 G HA2 -0.084 3.879 3.960 0.004 0.000 0.619 243 G HA3 -0.084 3.879 3.960 0.004 0.000 0.619 243 G C -3.118 171.840 174.900 0.097 0.000 1.337 243 G CA -1.325 43.853 45.100 0.130 0.000 0.993 243 G HN -0.217 nan 8.290 nan 0.000 0.599 244 P HA 0.304 nan 4.420 nan 0.000 0.267 244 P C -0.244 177.065 177.300 0.016 0.000 1.209 244 P CA 0.551 63.667 63.100 0.027 0.000 0.763 244 P CB 0.405 32.097 31.700 -0.014 0.000 0.816 245 D N 3.315 123.725 120.400 0.016 0.000 2.792 245 D HA -0.211 4.432 4.640 0.004 0.000 0.231 245 D C 1.163 177.493 176.300 0.051 0.000 1.160 245 D CA 1.948 55.963 54.000 0.024 0.000 0.697 245 D CB -1.517 39.279 40.800 -0.007 0.000 1.070 245 D HN 0.816 nan 8.370 nan 0.000 0.426 246 G N -0.623 108.224 108.800 0.078 0.000 2.159 246 G HA2 -0.329 3.634 3.960 0.004 0.000 0.256 246 G HA3 -0.329 3.634 3.960 0.004 0.000 0.256 246 G C 0.107 175.090 174.900 0.139 0.000 0.977 246 G CA 0.185 45.359 45.100 0.124 0.000 0.652 246 G HN 0.418 nan 8.290 nan 0.000 0.531 247 N N 1.556 120.296 118.700 0.066 0.000 2.419 247 N HA 0.409 5.151 4.740 0.004 0.000 0.264 247 N C -2.488 173.024 175.510 0.004 0.000 1.031 247 N CA -1.299 51.755 53.050 0.006 0.000 0.951 247 N CB 1.918 40.407 38.487 0.004 0.000 1.101 247 N HN 0.124 nan 8.380 nan 0.000 0.488 248 P HA 0.097 nan 4.420 nan 0.000 0.225 248 P C -0.874 176.538 177.300 0.187 0.000 1.813 248 P CA -0.123 63.014 63.100 0.063 0.000 1.013 248 P CB -0.100 31.513 31.700 -0.145 0.000 1.961 249 D N 2.478 122.946 120.400 0.114 0.000 2.441 249 D HA 0.236 4.878 4.640 0.004 0.000 0.231 249 D C -1.844 174.488 176.300 0.053 0.000 1.073 249 D CA -2.562 51.484 54.000 0.077 0.000 0.850 249 D CB 1.740 42.560 40.800 0.034 0.000 1.062 249 D HN -0.041 nan 8.370 nan 0.000 0.524 250 P HA -0.089 nan 4.420 nan 0.000 0.220 250 P C 1.504 178.831 177.300 0.044 0.000 1.148 250 P CA 0.395 63.488 63.100 -0.012 0.000 0.803 250 P CB 0.539 32.175 31.700 -0.106 0.000 0.782 251 V N 0.094 120.027 119.914 0.031 0.000 2.379 251 V HA -0.171 3.951 4.120 0.004 0.000 0.245 251 V C 2.451 178.567 176.094 0.037 0.000 1.044 251 V CA 2.093 64.421 62.300 0.048 0.000 1.036 251 V CB -1.658 30.184 31.823 0.032 0.000 0.664 251 V HN 0.089 nan 8.190 nan 0.000 0.453 252 A N 0.097 122.935 122.820 0.030 0.000 1.930 252 A HA -0.025 4.297 4.320 0.004 0.000 0.217 252 A C 2.410 180.021 177.584 0.046 0.000 1.175 252 A CA 1.778 53.831 52.037 0.027 0.000 0.627 252 A CB -0.667 18.342 19.000 0.015 0.000 0.815 252 A HN 0.537 nan 8.150 nan 0.000 0.443 253 A N -0.009 122.849 122.820 0.063 0.000 1.933 253 A HA 0.153 4.475 4.320 0.004 0.000 0.218 253 A C 2.447 180.096 177.584 0.110 0.000 1.175 253 A CA 1.955 54.045 52.037 0.089 0.000 0.628 253 A CB -0.909 18.149 19.000 0.097 0.000 0.814 253 A HN 1.046 nan 8.150 nan 0.000 0.444 254 A N -0.473 122.416 122.820 0.115 0.000 2.019 254 A HA -0.141 4.181 4.320 0.004 0.000 0.219 254 A C 2.212 179.862 177.584 0.111 0.000 1.164 254 A CA 1.567 53.709 52.037 0.175 0.000 0.644 254 A CB -0.475 18.611 19.000 0.144 0.000 0.805 254 A HN 0.563 nan 8.150 nan 0.000 0.449 255 R N -0.366 120.170 120.500 0.060 0.000 2.075 255 R HA -0.155 4.188 4.340 0.004 0.000 0.232 255 R C 1.178 177.537 176.300 0.098 0.000 1.126 255 R CA 1.786 57.914 56.100 0.047 0.000 0.963 255 R CB -0.261 30.058 30.300 0.031 0.000 0.858 255 R HN 0.408 nan 8.270 nan 0.000 0.435 256 D N 0.372 120.841 120.400 0.115 0.000 2.144 256 D HA -0.096 4.547 4.640 0.004 0.000 0.200 256 D C 1.883 178.308 176.300 0.209 0.000 0.978 256 D CA 1.002 55.100 54.000 0.164 0.000 0.833 256 D CB -0.072 40.822 40.800 0.157 0.000 0.961 256 D HN 0.284 nan 8.370 nan 0.000 0.470 257 I N 0.516 121.207 120.570 0.201 0.000 2.163 257 I HA -0.273 3.899 4.170 0.004 0.000 0.243 257 I C 2.567 178.827 176.117 0.238 0.000 1.085 257 I CA 1.022 62.449 61.300 0.212 0.000 1.347 257 I CB -0.166 37.886 38.000 0.085 0.000 1.044 257 I HN -0.057 nan 8.210 nan 0.000 0.408 258 R N 0.772 121.405 120.500 0.221 0.000 2.081 258 R HA -0.242 4.101 4.340 0.004 0.000 0.235 258 R C 2.054 178.461 176.300 0.179 0.000 1.131 258 R CA 2.243 58.463 56.100 0.200 0.000 0.960 258 R CB -0.242 30.102 30.300 0.073 0.000 0.856 258 R HN 0.299 nan 8.270 nan 0.000 0.436 259 D N -0.630 119.867 120.400 0.162 0.000 2.097 259 D HA -0.121 4.521 4.640 0.004 0.000 0.197 259 D C 1.793 178.189 176.300 0.159 0.000 0.984 259 D CA 2.154 56.241 54.000 0.145 0.000 0.826 259 D CB -0.158 40.733 40.800 0.151 0.000 0.973 259 D HN 0.388 nan 8.370 nan 0.000 0.460 260 T N -2.034 112.643 114.554 0.204 0.000 2.821 260 T HA -0.123 4.230 4.350 0.004 0.000 0.267 260 T C 2.051 176.780 174.700 0.048 0.000 1.046 260 T CA 0.735 62.940 62.100 0.175 0.000 1.139 260 T CB -0.851 68.177 68.868 0.267 0.000 0.871 260 T HN 0.038 nan 8.240 nan 0.000 0.454 261 F N 2.251 122.119 119.950 -0.137 0.000 2.234 261 F HA 0.320 4.849 4.527 0.003 0.000 0.299 261 F C 2.860 178.614 175.800 -0.076 0.000 1.087 261 F CA 0.197 58.050 58.000 -0.244 0.000 1.340 261 F CB -0.877 37.995 39.000 -0.214 0.000 1.031 261 F HN 0.261 nan 8.300 nan 0.000 0.500 262 A N -0.010 122.905 122.820 0.159 0.000 1.933 262 A HA -0.177 4.146 4.320 0.004 0.000 0.218 262 A C 2.201 179.823 177.584 0.065 0.000 1.175 262 A CA 1.301 53.404 52.037 0.109 0.000 0.628 262 A CB -0.593 18.469 19.000 0.103 0.000 0.814 262 A HN 0.317 nan 8.150 nan 0.000 0.444 263 R N -1.004 119.525 120.500 0.048 0.000 2.323 263 R HA 0.171 4.514 4.340 0.004 0.000 0.198 263 R C 0.786 177.076 176.300 -0.016 0.000 0.988 263 R CA 0.632 56.740 56.100 0.013 0.000 1.041 263 R CB -0.101 30.216 30.300 0.028 0.000 0.926 263 R HN 0.515 nan 8.270 nan 0.000 0.476 264 M N -0.751 118.849 119.600 0.000 0.000 2.484 264 M HA 0.279 4.761 4.480 0.004 0.000 0.307 264 M C 0.254 176.637 176.300 0.139 0.000 1.149 264 M CA -0.102 55.242 55.300 0.073 0.000 0.972 264 M CB 1.293 33.910 32.600 0.030 0.000 1.400 264 M HN 0.126 nan 8.290 nan 0.000 0.508 265 A N 0.503 123.382 122.820 0.098 0.000 3.031 265 A HA -0.132 4.191 4.320 0.004 0.000 0.244 265 A C -0.011 177.610 177.584 0.062 0.000 1.341 265 A CA 0.736 52.835 52.037 0.104 0.000 0.943 265 A CB -1.475 17.622 19.000 0.162 0.000 1.122 265 A HN 0.457 nan 8.150 nan 0.000 0.760 266 M N 0.770 120.421 119.600 0.084 0.000 2.364 266 M HA 0.426 4.909 4.480 0.004 0.000 0.334 266 M C 0.432 176.826 176.300 0.157 0.000 1.107 266 M CA -0.701 54.674 55.300 0.125 0.000 0.988 266 M CB 1.350 34.087 32.600 0.228 0.000 1.673 266 M HN 0.694 nan 8.290 nan 0.000 0.441 267 N N 1.033 119.818 118.700 0.142 0.000 2.495 267 N HA 0.247 4.990 4.740 0.004 0.000 0.294 267 N C 0.120 175.727 175.510 0.160 0.000 1.276 267 N CA -0.297 52.837 53.050 0.141 0.000 0.973 267 N CB 0.387 38.947 38.487 0.122 0.000 1.143 267 N HN 0.360 nan 8.380 nan 0.000 0.589 268 D N -0.680 119.820 120.400 0.166 0.000 2.117 268 D HA -0.162 4.481 4.640 0.004 0.000 0.197 268 D C 1.377 177.786 176.300 0.182 0.000 0.987 268 D CA 1.260 55.410 54.000 0.249 0.000 0.829 268 D CB -0.248 40.687 40.800 0.224 0.000 0.961 268 D HN 0.799 nan 8.370 nan 0.000 0.460 269 E N 0.615 120.907 120.200 0.154 0.000 2.085 269 E HA -0.210 4.142 4.350 0.004 0.000 0.194 269 E C 1.726 178.488 176.600 0.270 0.000 0.994 269 E CA 1.083 57.597 56.400 0.190 0.000 0.801 269 E CB 0.104 29.924 29.700 0.198 0.000 0.743 269 E HN 0.312 nan 8.360 nan 0.000 0.453 270 E N -0.516 119.810 120.200 0.211 0.000 2.110 270 E HA -0.145 4.207 4.350 0.004 0.000 0.193 270 E C 2.106 178.807 176.600 0.168 0.000 0.988 270 E CA 1.621 58.145 56.400 0.206 0.000 0.804 270 E CB -0.003 29.793 29.700 0.160 0.000 0.745 270 E HN 0.248 nan 8.360 nan 0.000 0.458 271 T N 0.654 115.248 114.554 0.068 0.000 2.737 271 T HA -0.116 4.237 4.350 0.004 0.000 0.265 271 T C 2.116 176.620 174.700 -0.326 0.000 1.038 271 T CA 1.036 62.999 62.100 -0.227 0.000 1.144 271 T CB -0.210 68.412 68.868 -0.409 0.000 0.866 271 T HN -0.028 nan 8.240 nan 0.000 0.434 272 V N 1.794 121.582 119.914 -0.210 0.000 2.343 272 V HA -0.170 3.953 4.120 0.004 0.000 0.247 272 V C 2.902 179.072 176.094 0.126 0.000 1.051 272 V CA 1.711 63.927 62.300 -0.140 0.000 1.036 272 V CB -1.214 30.613 31.823 0.007 0.000 0.654 272 V HN 0.531 nan 8.190 nan 0.000 0.451 273 A N -0.495 122.547 122.820 0.369 0.000 1.933 273 A HA -0.162 4.161 4.320 0.004 0.000 0.218 273 A C 2.226 179.913 177.584 0.171 0.000 1.175 273 A CA 1.827 54.107 52.037 0.406 0.000 0.628 273 A CB -0.476 18.766 19.000 0.404 0.000 0.814 273 A HN 0.507 nan 8.150 nan 0.000 0.444 274 L N -0.947 120.369 121.223 0.155 0.000 2.072 274 L HA -0.079 4.263 4.340 0.004 0.000 0.205 274 L C 2.458 179.233 176.870 -0.157 0.000 1.079 274 L CA 0.987 55.945 54.840 0.196 0.000 0.752 274 L CB -0.344 41.910 42.059 0.325 0.000 0.906 274 L HN 0.367 nan 8.230 nan 0.000 0.436 275 I N -0.379 119.999 120.570 -0.322 0.000 2.233 275 I HA -0.218 3.955 4.170 0.004 0.000 0.243 275 I C 2.742 178.268 176.117 -0.985 0.000 1.093 275 I CA 1.103 62.032 61.300 -0.618 0.000 1.380 275 I CB -0.379 37.260 38.000 -0.603 0.000 1.067 275 I HN 0.156 nan 8.210 nan 0.000 0.413 276 A N 0.830 123.080 122.820 -0.951 0.000 1.930 276 A HA -0.079 4.243 4.320 0.004 0.000 0.217 276 A C 2.402 179.384 177.584 -1.004 0.000 1.175 276 A CA 1.754 52.845 52.037 -1.577 0.000 0.627 276 A CB -1.357 16.859 19.000 -1.306 0.000 0.815 276 A HN 0.456 nan 8.150 nan 0.000 0.443 277 G N -0.421 107.916 108.800 -0.771 0.000 2.421 277 G HA2 0.032 3.994 3.960 0.004 0.000 0.216 277 G HA3 0.032 3.994 3.960 0.004 0.000 0.216 277 G C 1.562 175.887 174.900 -0.958 0.000 1.171 277 G CA 1.243 45.445 45.100 -1.497 0.000 0.775 277 G HN 0.685 nan 8.290 nan 0.000 0.543 278 G N -0.110 108.288 108.800 -0.669 0.000 2.446 278 G HA2 -0.217 3.745 3.960 0.004 0.000 0.217 278 G HA3 -0.217 3.745 3.960 0.004 0.000 0.217 278 G C 1.440 176.219 174.900 -0.202 0.000 1.168 278 G CA 0.918 45.914 45.100 -0.174 0.000 0.771 278 G HN 0.656 nan 8.290 nan 0.000 0.551 279 H N -0.298 118.284 119.070 -0.813 0.000 2.533 279 H HA 0.132 4.691 4.556 0.005 0.000 0.271 279 H C 2.002 176.859 175.328 -0.784 0.000 1.000 279 H CA 0.124 55.374 56.048 -1.331 0.000 1.149 279 H CB 0.412 28.987 29.762 -1.979 0.000 1.375 279 H HN 0.246 nan 8.280 nan 0.000 0.582 280 T N 0.395 114.623 114.554 -0.543 0.000 3.035 280 T HA -0.042 4.310 4.350 0.004 0.000 0.268 280 T C 0.018 174.361 174.700 -0.596 0.000 1.109 280 T CA 0.880 62.634 62.100 -0.576 0.000 1.119 280 T CB -0.024 68.313 68.868 -0.885 0.000 0.900 280 T HN 0.086 nan 8.240 nan 0.000 0.503 281 F N 0.050 119.990 119.950 -0.016 0.000 2.522 281 F HA 0.598 5.127 4.527 0.004 0.000 0.324 281 F C 1.155 177.088 175.800 0.222 0.000 1.077 281 F CA -0.579 57.457 58.000 0.060 0.000 0.944 281 F CB 1.420 40.441 39.000 0.035 0.000 1.175 281 F HN 0.206 nan 8.300 nan 0.000 0.468 282 G N 2.297 111.309 108.800 0.352 0.000 2.553 282 G HA2 -0.036 3.927 3.960 0.004 0.000 0.242 282 G HA3 -0.036 3.927 3.960 0.004 0.000 0.242 282 G C -1.075 174.072 174.900 0.411 0.000 1.277 282 G CA -0.061 45.278 45.100 0.397 0.000 0.910 282 G HN 1.066 nan 8.290 nan 0.000 0.576 283 K N -1.988 118.599 120.400 0.313 0.000 2.571 283 K HA 0.729 5.051 4.320 0.004 0.000 0.289 283 K C -0.085 176.344 176.600 -0.284 0.000 1.028 283 K CA -0.165 56.029 56.287 -0.156 0.000 0.895 283 K CB 1.150 33.566 32.500 -0.139 0.000 1.534 283 K HN 1.440 nan 8.250 nan 0.000 0.421 284 T N -1.547 112.674 114.554 -0.555 0.000 2.897 284 T HA 0.483 4.836 4.350 0.004 0.000 0.278 284 T C -0.725 173.544 174.700 -0.718 0.000 0.981 284 T CA -0.401 61.461 62.100 -0.397 0.000 0.973 284 T CB 0.624 69.336 68.868 -0.259 0.000 1.092 284 T HN 0.653 nan 8.240 nan 0.000 0.543 285 H N -1.351 117.695 119.070 -0.039 0.000 2.924 285 H HA 0.608 5.167 4.556 0.004 0.000 0.333 285 H C 0.231 175.532 175.328 -0.046 0.000 0.979 285 H CA -0.551 55.480 56.048 -0.029 0.000 1.326 285 H CB 1.695 31.479 29.762 0.038 0.000 1.600 285 H HN 1.072 nan 8.280 nan 0.000 0.520 286 G N 1.282 110.074 108.800 -0.013 0.000 4.677 286 G HA2 0.398 4.360 3.960 0.004 0.000 0.225 286 G HA3 0.398 4.360 3.960 0.004 0.000 0.225 286 G C 0.695 175.529 174.900 -0.110 0.000 0.876 286 G CA 0.131 45.196 45.100 -0.059 0.000 0.652 286 G HN 0.722 nan 8.290 nan 0.000 0.481 287 A N -0.367 122.401 122.820 -0.087 0.000 2.119 287 A HA 0.643 4.966 4.320 0.004 0.000 0.216 287 A C 1.391 178.756 177.584 -0.365 0.000 1.152 287 A CA 1.407 53.389 52.037 -0.092 0.000 0.708 287 A CB 0.160 19.217 19.000 0.094 0.000 0.805 287 A HN 1.296 nan 8.150 nan 0.000 0.460 288 G N -2.064 106.357 108.800 -0.631 0.000 2.721 288 G HA2 0.521 4.484 3.960 0.004 0.000 0.296 288 G HA3 0.521 4.484 3.960 0.004 0.000 0.296 288 G C -3.502 171.092 174.900 -0.510 0.000 1.383 288 G CA -1.283 43.218 45.100 -0.998 0.000 0.788 288 G HN -0.106 nan 8.290 nan 0.000 0.500 289 P HA 0.278 nan 4.420 nan 0.000 0.268 289 P C 0.750 177.978 177.300 -0.120 0.000 1.205 289 P CA 0.414 63.404 63.100 -0.183 0.000 0.771 289 P CB 1.371 33.002 31.700 -0.116 0.000 0.858 290 A N 2.976 125.751 122.820 -0.075 0.000 2.070 290 A HA -0.166 4.157 4.320 0.004 0.000 0.220 290 A C 2.035 179.622 177.584 0.005 0.000 1.159 290 A CA 1.998 54.018 52.037 -0.028 0.000 0.656 290 A CB -1.479 17.509 19.000 -0.020 0.000 0.800 290 A HN 0.595 nan 8.150 nan 0.000 0.453 291 S N 0.421 116.120 115.700 -0.002 0.000 2.469 291 S HA -0.145 4.327 4.470 0.004 0.000 0.238 291 S C 1.448 176.073 174.600 0.040 0.000 0.998 291 S CA 1.039 59.251 58.200 0.020 0.000 0.957 291 S CB -0.685 62.522 63.200 0.012 0.000 0.764 291 S HN 0.624 nan 8.310 nan 0.000 0.514 292 N N 1.223 119.952 118.700 0.047 0.000 2.519 292 N HA 0.022 4.764 4.740 0.004 0.000 0.186 292 N C -0.067 175.505 175.510 0.103 0.000 1.062 292 N CA 0.500 53.604 53.050 0.089 0.000 0.910 292 N CB -0.111 38.457 38.487 0.135 0.000 0.958 292 N HN 0.324 nan 8.380 nan 0.000 0.445 293 V N 0.653 120.626 119.914 0.098 0.000 2.465 293 V HA 0.409 4.531 4.120 0.004 0.000 0.279 293 V C 1.036 177.205 176.094 0.126 0.000 1.045 293 V CA -0.653 61.731 62.300 0.140 0.000 0.938 293 V CB 1.321 33.239 31.823 0.158 0.000 0.986 293 V HN 0.095 nan 8.190 nan 0.000 0.467 294 G N 2.698 111.566 108.800 0.113 0.000 2.606 294 G HA2 0.614 4.576 3.960 0.004 0.000 0.262 294 G HA3 0.614 4.576 3.960 0.004 0.000 0.262 294 G C 0.093 174.983 174.900 -0.016 0.000 1.394 294 G CA -0.220 44.907 45.100 0.045 0.000 1.044 294 G HN 1.056 nan 8.290 nan 0.000 0.553 295 A N 0.143 122.906 122.820 -0.095 0.000 2.540 295 A HA 0.400 4.722 4.320 0.004 0.000 0.239 295 A C 0.995 178.294 177.584 -0.476 0.000 1.061 295 A CA -0.061 51.856 52.037 -0.200 0.000 0.758 295 A CB -0.087 18.817 19.000 -0.161 0.000 0.991 295 A HN 0.713 nan 8.150 nan 0.000 0.502 296 E N 2.930 122.738 120.200 -0.652 0.000 2.428 296 E HA 0.036 4.388 4.350 0.004 0.000 0.257 296 E C -2.147 173.922 176.600 -0.885 0.000 1.197 296 E CA -1.071 54.555 56.400 -1.289 0.000 0.974 296 E CB -0.541 28.654 29.700 -0.841 0.000 0.976 296 E HN 0.329 nan 8.360 nan 0.000 0.463 297 P HA -0.145 nan 4.420 nan 0.000 0.215 297 P C 0.990 178.089 177.300 -0.334 0.000 1.153 297 P CA 1.398 64.167 63.100 -0.551 0.000 0.853 297 P CB 0.179 31.592 31.700 -0.478 0.000 0.788 298 E N -1.219 118.815 120.200 -0.276 0.000 2.418 298 E HA 0.002 4.354 4.350 0.004 0.000 0.197 298 E C 1.595 178.124 176.600 -0.118 0.000 1.026 298 E CA 0.708 57.020 56.400 -0.147 0.000 0.862 298 E CB -0.308 29.351 29.700 -0.068 0.000 0.799 298 E HN 0.197 nan 8.360 nan 0.000 0.518 299 A N 0.416 123.139 122.820 -0.163 0.000 2.288 299 A HA 0.444 4.766 4.320 0.004 0.000 0.216 299 A C 1.262 178.767 177.584 -0.130 0.000 1.199 299 A CA 0.365 52.333 52.037 -0.116 0.000 0.891 299 A CB 0.258 19.197 19.000 -0.102 0.000 0.923 299 A HN 0.147 nan 8.150 nan 0.000 0.500 300 A N 0.094 122.807 122.820 -0.179 0.000 2.346 300 A HA 0.534 4.857 4.320 0.004 0.000 0.252 300 A C 0.991 178.509 177.584 -0.111 0.000 1.089 300 A CA 0.204 52.147 52.037 -0.157 0.000 0.797 300 A CB -0.446 18.433 19.000 -0.201 0.000 1.047 300 A HN 0.853 nan 8.150 nan 0.000 0.494 301 G N -0.941 107.805 108.800 -0.090 0.000 2.594 301 G HA2 0.340 4.303 3.960 0.004 0.000 0.243 301 G HA3 0.340 4.303 3.960 0.004 0.000 0.243 301 G C 0.870 175.724 174.900 -0.076 0.000 1.229 301 G CA -0.084 44.974 45.100 -0.070 0.000 0.843 301 G HN 0.820 nan 8.290 nan 0.000 0.578 302 I N 0.254 120.786 120.570 -0.064 0.000 2.335 302 I HA -0.156 4.016 4.170 0.004 0.000 0.251 302 I C 2.764 178.839 176.117 -0.070 0.000 1.129 302 I CA 1.575 62.836 61.300 -0.066 0.000 1.402 302 I CB 0.037 38.006 38.000 -0.051 0.000 1.069 302 I HN 0.756 nan 8.210 nan 0.000 0.424 303 E N 1.332 121.495 120.200 -0.061 0.000 2.338 303 E HA -0.185 4.167 4.350 0.004 0.000 0.197 303 E C 1.785 178.339 176.600 -0.077 0.000 1.007 303 E CA 1.163 57.527 56.400 -0.061 0.000 0.849 303 E CB -0.388 29.285 29.700 -0.045 0.000 0.774 303 E HN 0.523 nan 8.360 nan 0.000 0.506 304 A N 0.992 123.759 122.820 -0.088 0.000 2.168 304 A HA -0.105 4.218 4.320 0.004 0.000 0.215 304 A C 0.866 178.369 177.584 -0.134 0.000 1.152 304 A CA 0.501 52.473 52.037 -0.108 0.000 0.716 304 A CB -0.213 18.715 19.000 -0.120 0.000 0.794 304 A HN 0.177 nan 8.150 nan 0.000 0.465 305 Q N -2.223 117.501 119.800 -0.127 0.000 2.439 305 Q HA -0.259 4.083 4.340 0.004 0.000 0.325 305 Q C 0.950 176.846 176.000 -0.174 0.000 1.372 305 Q CA 1.251 56.967 55.803 -0.145 0.000 0.909 305 Q CB -2.344 26.305 28.738 -0.149 0.000 1.167 305 Q HN 1.728 nan 8.270 nan 0.000 0.418 306 G N -1.642 107.056 108.800 -0.171 0.000 2.176 306 G HA2 -0.300 3.663 3.960 0.004 0.000 0.253 306 G HA3 -0.300 3.663 3.960 0.004 0.000 0.253 306 G C 0.250 175.024 174.900 -0.209 0.000 0.979 306 G CA 0.368 45.352 45.100 -0.192 0.000 0.641 306 G HN 0.333 nan 8.290 nan 0.000 0.530 307 L N -0.245 120.858 121.223 -0.200 0.000 2.416 307 L HA 0.849 5.191 4.340 0.004 0.000 0.263 307 L C 1.057 177.790 176.870 -0.228 0.000 1.065 307 L CA -0.352 54.374 54.840 -0.189 0.000 0.798 307 L CB 1.528 43.489 42.059 -0.163 0.000 1.267 307 L HN 0.360 nan 8.230 nan 0.000 0.467 308 G N -2.639 106.027 108.800 -0.223 0.000 2.706 308 G HA2 0.333 4.295 3.960 0.004 0.000 0.307 308 G HA3 0.333 4.295 3.960 0.004 0.000 0.307 308 G C -1.492 173.354 174.900 -0.090 0.000 1.307 308 G CA -0.538 44.348 45.100 -0.356 0.000 0.790 308 G HN 0.674 nan 8.290 nan 0.000 0.503 309 W N 0.344 121.592 121.300 -0.087 0.000 5.538 309 W HA -0.169 4.494 4.660 0.004 0.000 0.377 309 W C 0.783 177.294 176.519 -0.015 0.000 1.406 309 W CA 0.929 58.239 57.345 -0.058 0.000 0.940 309 W CB -1.112 28.298 29.460 -0.083 0.000 2.536 309 W HN 0.615 nan 8.180 nan 0.000 1.504 310 K N 1.538 122.011 120.400 0.121 0.000 2.484 310 K HA 0.174 4.497 4.320 0.004 0.000 0.280 310 K C 0.580 177.270 176.600 0.150 0.000 1.013 310 K CA 0.543 56.905 56.287 0.125 0.000 1.029 310 K CB 0.649 33.185 32.500 0.059 0.000 0.902 310 K HN -0.018 nan 8.250 nan 0.000 0.481 311 S N 2.754 118.562 115.700 0.180 0.000 2.472 311 S HA 0.489 4.962 4.470 0.004 0.000 0.303 311 S C 0.381 175.064 174.600 0.139 0.000 1.099 311 S CA -0.407 57.897 58.200 0.173 0.000 1.077 311 S CB 1.606 64.936 63.200 0.217 0.000 1.031 311 S HN 0.676 nan 8.310 nan 0.000 0.487 312 A N 3.874 126.771 122.820 0.129 0.000 2.251 312 A HA 0.211 4.533 4.320 0.004 0.000 0.209 312 A C 0.163 177.815 177.584 0.113 0.000 1.187 312 A CA 0.069 52.164 52.037 0.096 0.000 0.823 312 A CB -0.367 18.681 19.000 0.081 0.000 0.846 312 A HN 0.829 nan 8.150 nan 0.000 0.486 313 Y N 2.187 122.503 120.300 0.027 0.000 2.539 313 Y HA 0.378 4.930 4.550 0.004 0.000 0.352 313 Y C 0.990 176.886 175.900 -0.007 0.000 1.004 313 Y CA -0.642 57.464 58.100 0.010 0.000 1.278 313 Y CB -0.387 38.079 38.460 0.011 0.000 1.136 313 Y HN 0.540 nan 8.280 nan 0.000 0.528 314 R N 0.575 120.712 120.500 -0.606 0.000 3.853 314 R HA -0.328 4.014 4.340 0.004 0.000 0.440 314 R C 1.474 177.635 176.300 -0.231 0.000 0.241 314 R CA 2.441 58.252 56.100 -0.480 0.000 1.395 314 R CB -1.709 28.160 30.300 -0.718 0.000 0.984 314 R HN 0.750 nan 8.270 nan 0.000 0.570 315 T N -0.930 113.502 114.554 -0.203 0.000 3.113 315 T HA 0.233 4.586 4.350 0.004 0.000 0.256 315 T C 1.363 176.029 174.700 -0.057 0.000 1.131 315 T CA 1.157 63.183 62.100 -0.124 0.000 1.074 315 T CB 0.438 69.211 68.868 -0.158 0.000 0.944 315 T HN 1.260 nan 8.240 nan 0.000 0.516 316 G N 1.901 110.684 108.800 -0.028 0.000 2.159 316 G HA2 -0.247 3.715 3.960 0.004 0.000 0.256 316 G HA3 -0.247 3.715 3.960 0.004 0.000 0.256 316 G C -0.071 174.892 174.900 0.106 0.000 0.977 316 G CA 0.565 45.722 45.100 0.094 0.000 0.652 316 G HN 1.022 nan 8.290 nan 0.000 0.531 317 K N -2.302 118.041 120.400 -0.095 0.000 2.614 317 K HA 0.678 5.000 4.320 0.004 0.000 0.293 317 K C 1.128 177.370 176.600 -0.595 0.000 1.045 317 K CA -0.128 55.894 56.287 -0.442 0.000 0.880 317 K CB 0.906 33.194 32.500 -0.355 0.000 1.552 317 K HN 1.718 nan 8.250 nan 0.000 0.404 318 G N 0.680 108.941 108.800 -0.898 0.000 2.622 318 G HA2 -0.439 3.523 3.960 0.004 0.000 0.307 318 G HA3 -0.439 3.523 3.960 0.004 0.000 0.307 318 G C 1.080 175.502 174.900 -0.796 0.000 1.226 318 G CA 1.772 46.288 45.100 -0.974 0.000 0.997 318 G HN 1.313 nan 8.290 nan 0.000 0.551 319 A N -0.923 121.184 122.820 -1.189 0.000 2.076 319 A HA 0.087 4.410 4.320 0.004 0.000 0.220 319 A C 1.798 179.282 177.584 -0.166 0.000 1.160 319 A CA 2.514 54.280 52.037 -0.452 0.000 0.653 319 A CB -0.289 18.479 19.000 -0.387 0.000 0.801 319 A HN 0.581 nan 8.150 nan 0.000 0.455 320 D N -0.406 119.881 120.400 -0.190 0.000 2.363 320 D HA 0.338 4.981 4.640 0.004 0.000 0.214 320 D C 0.684 177.043 176.300 0.099 0.000 1.093 320 D CA 0.578 54.591 54.000 0.023 0.000 0.837 320 D CB 0.015 40.772 40.800 -0.072 0.000 0.948 320 D HN 0.421 nan 8.370 nan 0.000 0.507 321 A N 0.825 123.634 122.820 -0.018 0.000 2.498 321 A HA 0.341 4.664 4.320 0.004 0.000 0.239 321 A C 0.197 177.878 177.584 0.160 0.000 1.068 321 A CA 0.274 52.337 52.037 0.043 0.000 0.766 321 A CB 0.164 19.101 19.000 -0.105 0.000 1.003 321 A HN 0.170 nan 8.150 nan 0.000 0.497 322 I N 2.224 122.903 120.570 0.182 0.000 2.439 322 I HA 0.311 4.484 4.170 0.004 0.000 0.285 322 I C 0.522 176.703 176.117 0.106 0.000 1.021 322 I CA -0.205 61.167 61.300 0.120 0.000 1.091 322 I CB 2.320 40.355 38.000 0.058 0.000 1.242 322 I HN 0.786 nan 8.210 nan 0.000 0.439 323 T N 1.275 115.881 114.554 0.087 0.000 3.393 323 T HA -0.019 4.333 4.350 0.004 0.000 0.231 323 T C 1.554 176.215 174.700 -0.065 0.000 0.983 323 T CA 0.841 62.926 62.100 -0.025 0.000 1.272 323 T CB 0.075 68.968 68.868 0.043 0.000 1.214 323 T HN 0.631 nan 8.240 nan 0.000 0.368 324 S N 0.384 116.088 115.700 0.006 0.000 2.478 324 S HA 0.393 4.866 4.470 0.004 0.000 0.222 324 S C 1.903 176.496 174.600 -0.013 0.000 1.008 324 S CA 0.930 59.129 58.200 -0.003 0.000 0.928 324 S CB 0.065 63.292 63.200 0.046 0.000 0.781 324 S HN 0.956 nan 8.310 nan 0.000 0.518 325 G N 0.656 109.446 108.800 -0.016 0.000 2.194 325 G HA2 -0.203 3.759 3.960 0.004 0.000 0.236 325 G HA3 -0.203 3.759 3.960 0.004 0.000 0.236 325 G C -0.099 174.766 174.900 -0.060 0.000 0.987 325 G CA 0.188 45.261 45.100 -0.046 0.000 0.635 325 G HN 0.502 nan 8.290 nan 0.000 0.520 326 L N 0.099 121.293 121.223 -0.048 0.000 2.399 326 L HA 0.772 5.114 4.340 0.004 0.000 0.265 326 L C 0.365 177.157 176.870 -0.131 0.000 1.089 326 L CA -0.768 54.027 54.840 -0.075 0.000 0.802 326 L CB 1.610 43.643 42.059 -0.044 0.000 1.180 326 L HN 0.104 nan 8.230 nan 0.000 0.454 327 E N 1.472 121.569 120.200 -0.171 0.000 2.873 327 E HA 0.447 4.799 4.350 0.004 0.000 0.232 327 E C -1.777 174.647 176.600 -0.293 0.000 1.123 327 E CA -0.149 56.111 56.400 -0.233 0.000 0.809 327 E CB 1.038 30.623 29.700 -0.191 0.000 1.366 327 E HN 0.214 nan 8.360 nan 0.000 0.400 328 V N 2.593 122.255 119.914 -0.419 0.000 2.709 328 V HA 0.610 4.732 4.120 0.004 0.000 0.308 328 V C -0.479 175.134 176.094 -0.800 0.000 1.062 328 V CA -0.650 61.309 62.300 -0.567 0.000 0.901 328 V CB 2.430 33.865 31.823 -0.647 0.000 1.003 328 V HN 0.553 nan 8.190 nan 0.000 0.425 329 T N 4.301 118.476 114.554 -0.631 0.000 2.890 329 T HA 0.307 4.660 4.350 0.004 0.000 0.295 329 T C 0.344 174.838 174.700 -0.343 0.000 0.993 329 T CA -0.406 61.403 62.100 -0.486 0.000 0.979 329 T CB 0.970 69.751 68.868 -0.146 0.000 0.967 329 T HN 0.726 nan 8.240 nan 0.000 0.441 330 W N 2.547 123.831 121.300 -0.027 0.000 2.523 330 W HA 0.053 4.716 4.660 0.005 0.000 0.278 330 W C 1.340 177.844 176.519 -0.025 0.000 1.236 330 W CA 0.366 57.703 57.345 -0.014 0.000 1.306 330 W CB -0.225 29.288 29.460 0.088 0.000 1.101 330 W HN 0.598 nan 8.180 nan 0.000 0.577 331 T N -3.690 110.969 114.554 0.176 0.000 2.907 331 T HA 0.280 4.633 4.350 0.004 0.000 0.290 331 T C 0.963 175.660 174.700 -0.006 0.000 1.066 331 T CA 0.029 62.164 62.100 0.059 0.000 1.012 331 T CB 2.196 71.051 68.868 -0.022 0.000 1.184 331 T HN -0.063 nan 8.240 nan 0.000 0.522 332 T N -1.672 112.875 114.554 -0.012 0.000 3.072 332 T HA 0.118 4.471 4.350 0.004 0.000 0.266 332 T C 0.946 175.602 174.700 -0.073 0.000 1.127 332 T CA 0.835 62.922 62.100 -0.021 0.000 1.107 332 T CB -0.799 68.070 68.868 0.002 0.000 0.910 332 T HN 1.043 nan 8.240 nan 0.000 0.513 333 T N -1.000 113.481 114.554 -0.121 0.000 3.226 333 T HA 0.495 4.847 4.350 0.004 0.000 0.378 333 T C -2.710 171.846 174.700 -0.240 0.000 1.380 333 T CA -1.472 60.530 62.100 -0.164 0.000 1.396 333 T CB 1.612 70.410 68.868 -0.117 0.000 1.044 333 T HN -0.124 nan 8.240 nan 0.000 0.586 334 P HA 0.016 nan 4.420 nan 0.000 0.230 334 P C 1.312 178.470 177.300 -0.237 0.000 1.158 334 P CA 0.756 63.610 63.100 -0.411 0.000 0.769 334 P CB 0.082 31.203 31.700 -0.964 0.000 0.807 335 T N -5.108 109.299 114.554 -0.245 0.000 3.215 335 T HA 0.301 4.653 4.350 0.004 0.000 0.271 335 T C 0.223 174.916 174.700 -0.012 0.000 1.012 335 T CA -0.334 61.679 62.100 -0.144 0.000 0.899 335 T CB -0.365 68.369 68.868 -0.223 0.000 1.089 335 T HN 0.031 nan 8.240 nan 0.000 0.552 336 Q N 0.553 120.388 119.800 0.058 0.000 2.289 336 Q HA 0.297 4.639 4.340 0.004 0.000 0.270 336 Q C -1.223 174.850 176.000 0.122 0.000 1.038 336 Q CA -0.927 54.965 55.803 0.148 0.000 0.812 336 Q CB 1.924 30.696 28.738 0.056 0.000 1.300 336 Q HN 0.534 nan 8.270 nan 0.000 0.427 337 W N 3.563 124.960 121.300 0.161 0.000 2.314 337 W HA 0.134 4.797 4.660 0.004 0.000 0.339 337 W C -0.615 175.859 176.519 -0.075 0.000 1.293 337 W CA 1.300 58.654 57.345 0.014 0.000 1.288 337 W CB 0.617 30.267 29.460 0.317 0.000 1.186 337 W HN 0.779 nan 8.180 nan 0.000 0.566 338 S N 3.518 118.568 115.700 -1.083 0.000 2.656 338 S HA 0.339 4.812 4.470 0.004 0.000 0.273 338 S C -0.800 173.327 174.600 -0.789 0.000 1.168 338 S CA -0.903 56.823 58.200 -0.791 0.000 0.817 338 S CB 1.710 64.656 63.200 -0.423 0.000 1.146 338 S HN 0.622 nan 8.310 nan 0.000 0.475 339 H N 0.369 119.251 119.070 -0.313 0.000 2.488 339 H HA 0.403 4.961 4.556 0.004 0.000 0.294 339 H C 1.331 176.665 175.328 0.011 0.000 1.088 339 H CA -0.305 55.700 56.048 -0.071 0.000 1.086 339 H CB 0.027 29.843 29.762 0.090 0.000 1.569 339 H HN 0.631 nan 8.280 nan 0.000 0.548 340 N N 0.578 119.277 118.700 -0.003 0.000 2.416 340 N HA -0.114 4.628 4.740 0.004 0.000 0.177 340 N C 1.472 177.002 175.510 0.033 0.000 1.036 340 N CA 0.135 53.203 53.050 0.031 0.000 0.901 340 N CB 0.155 38.630 38.487 -0.020 0.000 0.976 340 N HN 0.266 nan 8.380 nan 0.000 0.444 341 F N 1.013 120.857 119.950 -0.177 0.000 2.069 341 F HA -0.143 4.386 4.527 0.004 0.000 0.298 341 F C 1.579 177.206 175.800 -0.289 0.000 1.113 341 F CA 1.699 59.525 58.000 -0.290 0.000 1.214 341 F CB -0.490 38.167 39.000 -0.572 0.000 0.978 341 F HN -0.037 nan 8.300 nan 0.000 0.474 342 F N 0.487 120.450 119.950 0.022 0.000 2.325 342 F HA -0.078 4.452 4.527 0.004 0.000 0.299 342 F C 2.290 177.926 175.800 -0.273 0.000 1.090 342 F CA 0.955 58.869 58.000 -0.144 0.000 1.392 342 F CB -0.443 38.565 39.000 0.014 0.000 1.053 342 F HN 0.010 nan 8.300 nan 0.000 0.521 343 E N 0.378 120.619 120.200 0.068 0.000 2.058 343 E HA -0.214 4.138 4.350 0.004 0.000 0.194 343 E C 1.773 178.387 176.600 0.023 0.000 0.997 343 E CA 1.369 57.807 56.400 0.063 0.000 0.801 343 E CB -0.174 29.617 29.700 0.152 0.000 0.746 343 E HN 0.360 nan 8.360 nan 0.000 0.450 344 N N 0.624 119.360 118.700 0.060 0.000 2.216 344 N HA -0.114 4.629 4.740 0.004 0.000 0.183 344 N C 1.818 177.533 175.510 0.341 0.000 1.017 344 N CA 0.494 53.712 53.050 0.281 0.000 0.861 344 N CB -0.313 38.355 38.487 0.302 0.000 0.986 344 N HN 0.063 nan 8.380 nan 0.000 0.428 345 L N 0.004 121.178 121.223 -0.081 0.000 2.042 345 L HA -0.023 4.320 4.340 0.004 0.000 0.210 345 L C 1.550 178.377 176.870 -0.071 0.000 1.076 345 L CA 1.618 56.331 54.840 -0.212 0.000 0.749 345 L CB -0.571 41.048 42.059 -0.733 0.000 0.893 345 L HN 0.051 nan 8.230 nan 0.000 0.432 346 F N -1.597 118.332 119.950 -0.036 0.000 2.698 346 F HA 0.187 4.716 4.527 0.004 0.000 0.295 346 F C 2.216 177.977 175.800 -0.066 0.000 1.124 346 F CA 0.478 58.434 58.000 -0.073 0.000 1.426 346 F CB -0.306 38.570 39.000 -0.206 0.000 1.120 346 F HN 0.137 nan 8.300 nan 0.000 0.583 347 G N -1.346 107.471 108.800 0.027 0.000 2.777 347 G HA2 0.013 3.976 3.960 0.004 0.000 0.211 347 G HA3 0.013 3.976 3.960 0.004 0.000 0.211 347 G C -0.200 174.391 174.900 -0.514 0.000 1.149 347 G CA 0.332 45.283 45.100 -0.249 0.000 0.785 347 G HN 0.240 nan 8.290 nan 0.000 0.536 348 Y N -0.575 119.636 120.300 -0.148 0.000 2.576 348 Y HA 0.525 5.078 4.550 0.004 0.000 0.346 348 Y C -0.140 175.459 175.900 -0.503 0.000 1.018 348 Y CA -1.336 56.514 58.100 -0.418 0.000 1.050 348 Y CB 1.554 39.504 38.460 -0.850 0.000 1.280 348 Y HN -0.180 nan 8.280 nan 0.000 0.474 349 E N 0.679 120.721 120.200 -0.263 0.000 2.248 349 E HA 0.209 4.562 4.350 0.004 0.000 0.272 349 E C -1.588 174.765 176.600 -0.411 0.000 1.008 349 E CA -0.520 55.762 56.400 -0.196 0.000 0.856 349 E CB 1.302 31.001 29.700 -0.002 0.000 1.120 349 E HN 0.551 nan 8.360 nan 0.000 0.397 350 W N 0.631 122.049 121.300 0.197 0.000 2.702 350 W HA 0.342 5.005 4.660 0.004 0.000 0.331 350 W C 0.302 177.056 176.519 0.393 0.000 1.049 350 W CA -0.651 56.851 57.345 0.262 0.000 1.230 350 W CB 1.417 30.998 29.460 0.201 0.000 1.408 350 W HN 0.387 nan 8.180 nan 0.000 0.492 351 E N 2.375 122.923 120.200 0.579 0.000 2.199 351 E HA 0.468 4.820 4.350 0.004 0.000 0.269 351 E C -1.451 175.232 176.600 0.138 0.000 0.899 351 E CA -1.082 55.520 56.400 0.336 0.000 0.772 351 E CB 1.566 31.345 29.700 0.131 0.000 1.155 351 E HN 0.456 nan 8.360 nan 0.000 0.408 352 L N 3.659 124.678 121.223 -0.339 0.000 2.349 352 L HA 0.435 4.777 4.340 0.004 0.000 0.275 352 L C -0.320 176.302 176.870 -0.413 0.000 1.115 352 L CA 0.785 55.082 54.840 -0.904 0.000 0.820 352 L CB 1.357 42.785 42.059 -1.051 0.000 1.135 352 L HN 0.662 nan 8.230 nan 0.000 0.445 353 T N 3.581 117.916 114.554 -0.366 0.000 2.647 353 T HA 0.535 4.888 4.350 0.004 0.000 0.295 353 T C -1.247 173.366 174.700 -0.145 0.000 1.126 353 T CA -0.719 61.275 62.100 -0.178 0.000 1.040 353 T CB 1.094 69.902 68.868 -0.099 0.000 1.472 353 T HN 0.644 nan 8.240 nan 0.000 0.500 354 K N 1.125 121.463 120.400 -0.103 0.000 2.318 354 K HA 0.614 4.937 4.320 0.004 0.000 0.249 354 K C -0.131 176.410 176.600 -0.099 0.000 0.942 354 K CA -0.799 55.423 56.287 -0.107 0.000 0.808 354 K CB 1.896 34.329 32.500 -0.111 0.000 1.189 354 K HN 0.749 nan 8.250 nan 0.000 0.428 355 S N 1.053 116.689 115.700 -0.107 0.000 2.617 355 S HA 0.175 4.648 4.470 0.004 0.000 0.259 355 S C -1.831 172.704 174.600 -0.108 0.000 1.301 355 S CA -0.855 57.281 58.200 -0.106 0.000 0.984 355 S CB 0.470 63.603 63.200 -0.111 0.000 0.954 355 S HN 0.345 nan 8.310 nan 0.000 0.572 356 P HA 0.124 nan 4.420 nan 0.000 0.222 356 P C 0.918 178.128 177.300 -0.150 0.000 1.147 356 P CA 1.275 64.302 63.100 -0.121 0.000 0.790 356 P CB -0.185 31.437 31.700 -0.129 0.000 0.780 357 A N -1.013 121.717 122.820 -0.151 0.000 2.251 357 A HA 0.466 4.788 4.320 0.004 0.000 0.209 357 A C 1.630 179.139 177.584 -0.126 0.000 1.187 357 A CA 0.745 52.695 52.037 -0.146 0.000 0.823 357 A CB -1.035 17.887 19.000 -0.130 0.000 0.846 357 A HN 0.234 nan 8.150 nan 0.000 0.486 358 G N -2.150 106.572 108.800 -0.131 0.000 2.159 358 G HA2 0.136 4.098 3.960 0.004 0.000 0.227 358 G HA3 0.136 4.098 3.960 0.004 0.000 0.227 358 G C 0.342 175.115 174.900 -0.210 0.000 0.986 358 G CA 0.186 45.196 45.100 -0.150 0.000 0.651 358 G HN 1.507 nan 8.290 nan 0.000 0.523 359 A N 0.592 123.303 122.820 -0.181 0.000 2.316 359 A HA 0.681 5.004 4.320 0.004 0.000 0.284 359 A C 0.385 177.850 177.584 -0.198 0.000 1.115 359 A CA -0.506 51.410 52.037 -0.201 0.000 0.812 359 A CB 0.311 19.253 19.000 -0.095 0.000 1.064 359 A HN 0.416 nan 8.150 nan 0.000 0.489 360 H N 1.506 120.532 119.070 -0.073 0.000 2.803 360 H HA 0.322 4.880 4.556 0.004 0.000 0.330 360 H C 0.357 175.615 175.328 -0.117 0.000 1.057 360 H CA 0.755 56.722 56.048 -0.135 0.000 1.458 360 H CB 0.623 30.316 29.762 -0.115 0.000 1.470 360 H HN 0.786 nan 8.280 nan 0.000 0.560 361 Q N 1.651 121.394 119.800 -0.096 0.000 2.814 361 Q HA 0.429 4.772 4.340 0.004 0.000 0.322 361 Q C -1.621 174.242 176.000 -0.228 0.000 0.861 361 Q CA -1.095 54.694 55.803 -0.024 0.000 0.773 361 Q CB 1.788 30.536 28.738 0.017 0.000 1.423 361 Q HN 0.405 nan 8.270 nan 0.000 0.495 362 W N 0.189 121.506 121.300 0.028 0.000 2.864 362 W HA 0.746 5.409 4.660 0.005 0.000 0.343 362 W C -1.101 175.547 176.519 0.216 0.000 1.109 362 W CA -0.708 56.709 57.345 0.121 0.000 1.192 362 W CB 2.221 31.736 29.460 0.090 0.000 1.426 362 W HN 0.500 nan 8.180 nan 0.000 0.529 363 V N 2.177 122.403 119.914 0.520 0.000 2.876 363 V HA 0.839 4.961 4.120 0.004 0.000 0.312 363 V C -0.645 175.590 176.094 0.234 0.000 1.085 363 V CA -1.162 61.355 62.300 0.361 0.000 0.945 363 V CB 1.709 33.603 31.823 0.118 0.000 1.017 363 V HN 0.676 nan 8.190 nan 0.000 0.428 364 A N 5.345 128.048 122.820 -0.194 0.000 2.404 364 A HA 0.436 4.759 4.320 0.004 0.000 0.273 364 A C 0.192 177.529 177.584 -0.411 0.000 1.144 364 A CA -0.147 51.389 52.037 -0.835 0.000 0.806 364 A CB -0.223 17.909 19.000 -1.447 0.000 1.080 364 A HN 0.835 nan 8.150 nan 0.000 0.509 365 K N 1.651 121.873 120.400 -0.296 0.000 2.416 365 K HA 0.335 4.657 4.320 0.004 0.000 0.283 365 K C 1.232 177.780 176.600 -0.086 0.000 1.037 365 K CA 1.021 57.236 56.287 -0.121 0.000 0.995 365 K CB 0.398 32.861 32.500 -0.062 0.000 0.938 365 K HN 1.317 nan 8.250 nan 0.000 0.475 366 G N 1.599 110.363 108.800 -0.060 0.000 2.166 366 G HA2 -0.339 3.623 3.960 0.004 0.000 0.260 366 G HA3 -0.339 3.623 3.960 0.004 0.000 0.260 366 G C 0.242 175.132 174.900 -0.017 0.000 0.986 366 G CA 0.351 45.435 45.100 -0.027 0.000 0.683 366 G HN 0.812 nan 8.290 nan 0.000 0.527 367 A N -0.343 122.426 122.820 -0.085 0.000 2.351 367 A HA 0.575 4.897 4.320 0.004 0.000 0.257 367 A C 0.417 177.972 177.584 -0.048 0.000 1.087 367 A CA -0.028 51.962 52.037 -0.078 0.000 0.798 367 A CB 0.468 19.199 19.000 -0.448 0.000 1.033 367 A HN 0.257 nan 8.150 nan 0.000 0.488 368 D N 0.426 120.828 120.400 0.003 0.000 2.344 368 D HA 0.402 5.044 4.640 0.004 0.000 0.244 368 D C 0.373 176.656 176.300 -0.028 0.000 1.134 368 D CA 0.549 54.545 54.000 -0.006 0.000 0.930 368 D CB 1.067 41.878 40.800 0.019 0.000 1.175 368 D HN 0.601 nan 8.370 nan 0.000 0.437 369 A N 1.228 124.029 122.820 -0.031 0.000 2.797 369 A HA 0.258 4.580 4.320 0.004 0.000 0.296 369 A C 1.073 178.642 177.584 -0.024 0.000 1.580 369 A CA -0.400 51.614 52.037 -0.040 0.000 1.277 369 A CB -0.755 18.203 19.000 -0.069 0.000 1.101 369 A HN 0.390 nan 8.150 nan 0.000 0.562 370 V N 0.258 120.172 119.914 -0.001 0.000 3.643 370 V HA 0.334 4.457 4.120 0.004 0.000 0.280 370 V C 0.341 176.453 176.094 0.031 0.000 1.351 370 V CA -0.108 62.203 62.300 0.018 0.000 1.073 370 V CB -0.467 31.381 31.823 0.042 0.000 0.863 370 V HN 0.516 nan 8.190 nan 0.000 0.436 371 I N 3.901 124.500 120.570 0.048 0.000 2.365 371 I HA 0.485 4.658 4.170 0.004 0.000 0.291 371 I C -2.287 173.911 176.117 0.134 0.000 1.004 371 I CA -2.560 58.791 61.300 0.084 0.000 1.311 371 I CB 1.255 39.319 38.000 0.106 0.000 1.401 371 I HN 0.133 nan 8.210 nan 0.000 0.491 372 P HA 0.125 nan 4.420 nan 0.000 0.274 372 P C -0.699 176.812 177.300 0.352 0.000 1.237 372 P CA -0.297 62.919 63.100 0.194 0.000 0.793 372 P CB 0.997 32.804 31.700 0.179 0.000 0.977 373 D N 0.106 120.658 120.400 0.253 0.000 2.304 373 D HA 0.325 4.967 4.640 0.004 0.000 0.247 373 D C 1.292 177.547 176.300 -0.076 0.000 1.089 373 D CA -0.404 53.726 54.000 0.215 0.000 0.910 373 D CB 0.778 41.679 40.800 0.169 0.000 1.199 373 D HN 0.280 nan 8.370 nan 0.000 0.426 374 A N 2.542 125.060 122.820 -0.504 0.000 2.121 374 A HA -0.017 4.306 4.320 0.004 0.000 0.218 374 A C 1.095 177.893 177.584 -1.309 0.000 1.154 374 A CA 1.027 52.192 52.037 -1.453 0.000 0.679 374 A CB -0.395 17.699 19.000 -1.510 0.000 0.795 374 A HN 0.658 nan 8.150 nan 0.000 0.458 375 F N -2.004 117.792 119.950 -0.257 0.000 2.815 375 F HA 0.238 4.767 4.527 0.004 0.000 0.328 375 F C 0.112 175.859 175.800 -0.088 0.000 0.982 375 F CA -0.462 57.438 58.000 -0.167 0.000 1.154 375 F CB 0.730 39.631 39.000 -0.165 0.000 0.980 375 F HN 0.034 nan 8.300 nan 0.000 0.603 376 D N 1.747 122.194 120.400 0.079 0.000 2.441 376 D HA 0.279 4.922 4.640 0.004 0.000 0.231 376 D C -2.139 174.173 176.300 0.021 0.000 1.073 376 D CA -2.449 51.583 54.000 0.052 0.000 0.850 376 D CB 1.833 42.665 40.800 0.053 0.000 1.062 376 D HN -0.091 nan 8.370 nan 0.000 0.524 377 P HA -0.086 nan 4.420 nan 0.000 0.225 377 P C 1.009 178.307 177.300 -0.003 0.000 1.148 377 P CA 0.728 63.833 63.100 0.008 0.000 0.779 377 P CB 0.193 31.898 31.700 0.008 0.000 0.780 378 S N -2.472 113.222 115.700 -0.009 0.000 2.575 378 S HA 0.124 4.597 4.470 0.004 0.000 0.215 378 S C 0.749 175.322 174.600 -0.046 0.000 0.966 378 S CA -0.129 58.058 58.200 -0.021 0.000 0.911 378 S CB -0.413 62.777 63.200 -0.016 0.000 0.780 378 S HN 0.022 nan 8.310 nan 0.000 0.514 379 K N 1.304 121.668 120.400 -0.059 0.000 2.182 379 K HA 0.515 4.838 4.320 0.004 0.000 0.262 379 K C -0.627 175.836 176.600 -0.228 0.000 0.957 379 K CA -0.503 55.699 56.287 -0.142 0.000 0.842 379 K CB 1.490 33.928 32.500 -0.103 0.000 1.099 379 K HN 0.124 nan 8.250 nan 0.000 0.438 380 K N 1.695 121.886 120.400 -0.348 0.000 2.444 380 K HA 0.452 4.774 4.320 0.004 0.000 0.252 380 K C -0.847 175.396 176.600 -0.595 0.000 0.993 380 K CA -0.954 55.131 56.287 -0.337 0.000 0.847 380 K CB 1.923 34.342 32.500 -0.135 0.000 1.340 380 K HN 0.565 nan 8.250 nan 0.000 0.446 381 H N 0.848 119.912 119.070 -0.010 0.000 2.865 381 H HA 0.342 4.901 4.556 0.004 0.000 0.372 381 H C -0.274 175.028 175.328 -0.044 0.000 1.173 381 H CA -0.782 55.249 56.048 -0.028 0.000 1.147 381 H CB 1.680 31.424 29.762 -0.030 0.000 1.805 381 H HN 0.317 nan 8.280 nan 0.000 0.553 382 R N 1.233 121.769 120.500 0.060 0.000 2.679 382 R HA 0.204 4.546 4.340 0.004 0.000 0.269 382 R C -2.275 174.004 176.300 -0.035 0.000 1.076 382 R CA -1.506 54.570 56.100 -0.040 0.000 1.160 382 R CB -0.062 30.193 30.300 -0.075 0.000 1.054 382 R HN 0.305 nan 8.270 nan 0.000 0.507 383 P HA -0.026 nan 4.420 nan 0.000 0.266 383 P C -0.743 176.638 177.300 0.135 0.000 1.195 383 P CA 0.335 63.418 63.100 -0.027 0.000 0.768 383 P CB 0.709 32.322 31.700 -0.146 0.000 0.838 384 T N -0.240 114.402 114.554 0.147 0.000 2.883 384 T HA 0.829 5.181 4.350 0.004 0.000 0.296 384 T C -0.662 173.995 174.700 -0.071 0.000 1.117 384 T CA -0.858 61.331 62.100 0.147 0.000 1.006 384 T CB 1.230 70.079 68.868 -0.031 0.000 1.191 384 T HN 0.127 nan 8.240 nan 0.000 0.508 385 M N 1.418 120.936 119.600 -0.137 0.000 2.569 385 M HA 0.478 4.960 4.480 0.004 0.000 0.279 385 M C -1.192 175.128 176.300 0.034 0.000 1.253 385 M CA -0.691 54.477 55.300 -0.220 0.000 0.867 385 M CB 2.346 34.438 32.600 -0.848 0.000 1.727 385 M HN 0.682 nan 8.290 nan 0.000 0.467 386 L N 0.475 121.794 121.223 0.161 0.000 2.439 386 L HA 0.385 4.727 4.340 0.004 0.000 0.259 386 L C 1.535 178.505 176.870 0.165 0.000 1.129 386 L CA -0.288 54.698 54.840 0.243 0.000 0.803 386 L CB 0.646 42.880 42.059 0.292 0.000 1.161 386 L HN 0.773 nan 8.230 nan 0.000 0.462 387 T N -0.751 113.991 114.554 0.314 0.000 2.699 387 T HA -0.196 4.156 4.350 0.004 0.000 0.268 387 T C 1.696 176.411 174.700 0.026 0.000 1.036 387 T CA 2.233 64.436 62.100 0.172 0.000 1.147 387 T CB -0.287 68.802 68.868 0.368 0.000 0.862 387 T HN 0.912 nan 8.240 nan 0.000 0.446 388 T N 0.086 114.706 114.554 0.110 0.000 3.035 388 T HA -0.037 4.315 4.350 0.004 0.000 0.268 388 T C 1.376 176.096 174.700 0.034 0.000 1.109 388 T CA 0.724 62.873 62.100 0.082 0.000 1.119 388 T CB -0.157 68.798 68.868 0.144 0.000 0.900 388 T HN 0.260 nan 8.240 nan 0.000 0.503 389 D N 1.539 121.974 120.400 0.059 0.000 2.162 389 D HA 0.087 4.729 4.640 0.004 0.000 0.203 389 D C 2.102 178.313 176.300 -0.148 0.000 0.967 389 D CA 0.616 54.646 54.000 0.050 0.000 0.840 389 D CB -0.111 40.782 40.800 0.155 0.000 0.972 389 D HN 0.370 nan 8.370 nan 0.000 0.482 390 L N 0.924 121.980 121.223 -0.278 0.000 2.201 390 L HA -0.092 4.250 4.340 0.004 0.000 0.212 390 L C 2.328 179.151 176.870 -0.080 0.000 1.105 390 L CA 0.507 55.154 54.840 -0.322 0.000 0.775 390 L CB -0.324 41.431 42.059 -0.506 0.000 0.913 390 L HN -0.075 nan 8.230 nan 0.000 0.440 391 S N 0.402 116.081 115.700 -0.036 0.000 2.419 391 S HA -0.140 4.332 4.470 0.004 0.000 0.235 391 S C 1.896 176.552 174.600 0.093 0.000 1.019 391 S CA 1.107 59.353 58.200 0.077 0.000 0.982 391 S CB -0.225 63.031 63.200 0.094 0.000 0.789 391 S HN 0.383 nan 8.310 nan 0.000 0.490 392 L N 0.415 121.607 121.223 -0.053 0.000 2.376 392 L HA 0.045 4.387 4.340 0.004 0.000 0.219 392 L C 2.519 179.336 176.870 -0.088 0.000 1.133 392 L CA 0.893 55.696 54.840 -0.062 0.000 0.816 392 L CB -0.302 41.724 42.059 -0.056 0.000 0.933 392 L HN 0.247 nan 8.230 nan 0.000 0.449 393 R N -0.476 119.842 120.500 -0.304 0.000 2.195 393 R HA 0.046 4.388 4.340 0.004 0.000 0.197 393 R C 1.753 177.712 176.300 -0.568 0.000 0.990 393 R CA 0.492 56.243 56.100 -0.580 0.000 1.048 393 R CB 0.140 29.784 30.300 -1.093 0.000 0.997 393 R HN 0.146 nan 8.270 nan 0.000 0.502 394 F N 0.367 120.289 119.950 -0.046 0.000 2.746 394 F HA 0.217 4.747 4.527 0.004 0.000 0.297 394 F C 0.303 176.098 175.800 -0.008 0.000 1.113 394 F CA -0.512 57.470 58.000 -0.030 0.000 1.367 394 F CB 0.334 39.286 39.000 -0.080 0.000 1.111 394 F HN 0.023 nan 8.300 nan 0.000 0.590 395 D N 0.753 121.231 120.400 0.131 0.000 2.308 395 D HA 0.117 4.759 4.640 0.004 0.000 0.251 395 D C -1.934 174.366 176.300 -0.001 0.000 1.127 395 D CA -1.747 52.276 54.000 0.038 0.000 0.876 395 D CB 1.472 42.259 40.800 -0.022 0.000 1.176 395 D HN -0.147 nan 8.370 nan 0.000 0.446 396 P HA -0.018 nan 4.420 nan 0.000 0.221 396 P C 0.544 177.815 177.300 -0.048 0.000 1.150 396 P CA 0.831 63.918 63.100 -0.020 0.000 0.800 396 P CB 0.226 31.913 31.700 -0.022 0.000 0.787 397 A N -1.749 121.002 122.820 -0.114 0.000 1.930 397 A HA -0.124 4.199 4.320 0.004 0.000 0.215 397 A C 2.010 179.568 177.584 -0.044 0.000 1.176 397 A CA 1.007 52.975 52.037 -0.116 0.000 0.632 397 A CB -1.667 17.221 19.000 -0.187 0.000 0.819 397 A HN 0.166 nan 8.150 nan 0.000 0.445 398 Y N -0.446 119.819 120.300 -0.057 0.000 2.293 398 Y HA -0.159 4.393 4.550 0.004 0.000 0.291 398 Y C 2.632 178.484 175.900 -0.080 0.000 1.137 398 Y CA 0.864 58.919 58.100 -0.076 0.000 1.202 398 Y CB 0.145 38.565 38.460 -0.068 0.000 0.990 398 Y HN 0.372 nan 8.280 nan 0.000 0.537 399 E N 1.473 121.733 120.200 0.101 0.000 2.110 399 E HA -0.206 4.147 4.350 0.004 0.000 0.193 399 E C 1.610 178.224 176.600 0.023 0.000 0.988 399 E CA 1.205 57.651 56.400 0.077 0.000 0.804 399 E CB 0.015 29.740 29.700 0.041 0.000 0.745 399 E HN 0.489 nan 8.360 nan 0.000 0.458 400 K N 0.035 120.416 120.400 -0.032 0.000 2.097 400 K HA -0.066 4.257 4.320 0.004 0.000 0.205 400 K C 2.351 178.843 176.600 -0.179 0.000 1.050 400 K CA 1.249 57.480 56.287 -0.094 0.000 0.938 400 K CB -0.058 32.394 32.500 -0.080 0.000 0.718 400 K HN 0.189 nan 8.250 nan 0.000 0.442 401 I N 0.690 121.135 120.570 -0.207 0.000 2.233 401 I HA -0.234 3.938 4.170 0.004 0.000 0.243 401 I C 2.199 177.922 176.117 -0.657 0.000 1.093 401 I CA 0.905 61.926 61.300 -0.464 0.000 1.380 401 I CB -0.248 37.527 38.000 -0.374 0.000 1.067 401 I HN 0.023 nan 8.210 nan 0.000 0.413 402 S N 0.576 116.053 115.700 -0.373 0.000 2.374 402 S HA -0.193 4.279 4.470 0.004 0.000 0.227 402 S C 2.123 176.458 174.600 -0.441 0.000 1.037 402 S CA 1.314 59.243 58.200 -0.451 0.000 1.024 402 S CB -0.301 62.920 63.200 0.034 0.000 0.861 402 S HN 0.338 nan 8.310 nan 0.000 0.456 403 R N 0.670 121.027 120.500 -0.239 0.000 2.075 403 R HA 0.034 4.376 4.340 0.004 0.000 0.232 403 R C 2.565 178.684 176.300 -0.301 0.000 1.126 403 R CA 1.014 56.878 56.100 -0.394 0.000 0.963 403 R CB -0.390 29.682 30.300 -0.379 0.000 0.858 403 R HN 0.359 nan 8.270 nan 0.000 0.435 404 R N 0.119 120.444 120.500 -0.291 0.000 2.105 404 R HA -0.094 4.248 4.340 0.004 0.000 0.239 404 R C 2.107 178.373 176.300 -0.058 0.000 1.135 404 R CA 1.462 57.445 56.100 -0.195 0.000 0.967 404 R CB -0.263 29.901 30.300 -0.226 0.000 0.861 404 R HN 0.193 nan 8.270 nan 0.000 0.442 405 F N -1.167 118.624 119.950 -0.264 0.000 2.259 405 F HA -0.165 4.364 4.527 0.004 0.000 0.298 405 F C 2.434 178.093 175.800 -0.236 0.000 1.088 405 F CA 0.593 58.443 58.000 -0.249 0.000 1.358 405 F CB -0.166 38.529 39.000 -0.509 0.000 1.040 405 F HN 0.276 nan 8.300 nan 0.000 0.505 406 H N 0.807 119.684 119.070 -0.321 0.000 2.357 406 H HA -0.115 4.443 4.556 0.004 0.000 0.301 406 H C 1.767 177.054 175.328 -0.067 0.000 1.082 406 H CA 1.898 57.868 56.048 -0.129 0.000 1.342 406 H CB -0.165 29.494 29.762 -0.172 0.000 1.389 406 H HN 0.253 nan 8.280 nan 0.000 0.511 407 E N -0.607 119.489 120.200 -0.174 0.000 2.299 407 E HA 0.020 4.372 4.350 0.004 0.000 0.193 407 E C -0.077 176.474 176.600 -0.082 0.000 0.998 407 E CA 0.351 56.625 56.400 -0.210 0.000 0.851 407 E CB 0.346 29.934 29.700 -0.187 0.000 0.795 407 E HN 0.435 nan 8.360 nan 0.000 0.492 408 N N 0.857 119.561 118.700 0.007 0.000 2.791 408 N HA 0.116 4.858 4.740 0.004 0.000 0.265 408 N C -2.384 173.199 175.510 0.123 0.000 1.580 408 N CA -0.932 52.156 53.050 0.063 0.000 0.809 408 N CB 1.429 39.974 38.487 0.096 0.000 1.178 408 N HN -0.017 nan 8.380 nan 0.000 0.499 409 P HA -0.093 nan 4.420 nan 0.000 0.219 409 P C 1.101 178.482 177.300 0.136 0.000 1.146 409 P CA 1.146 64.248 63.100 0.003 0.000 0.808 409 P CB 0.615 31.892 31.700 -0.704 0.000 0.779 410 E N -0.254 120.018 120.200 0.120 0.000 2.118 410 E HA -0.209 4.144 4.350 0.004 0.000 0.195 410 E C 2.181 178.873 176.600 0.152 0.000 0.992 410 E CA 1.253 57.739 56.400 0.144 0.000 0.804 410 E CB -0.509 29.257 29.700 0.111 0.000 0.741 410 E HN 0.383 nan 8.360 nan 0.000 0.458 411 Q N -0.836 119.075 119.800 0.185 0.000 2.119 411 Q HA -0.151 4.191 4.340 0.004 0.000 0.201 411 Q C 1.951 178.038 176.000 0.145 0.000 0.972 411 Q CA 1.047 56.983 55.803 0.222 0.000 0.847 411 Q CB -0.179 28.756 28.738 0.329 0.000 0.903 411 Q HN 0.289 nan 8.270 nan 0.000 0.433 412 F N 1.356 121.224 119.950 -0.138 0.000 2.102 412 F HA -0.111 4.419 4.527 0.004 0.000 0.298 412 F C 2.099 177.860 175.800 -0.064 0.000 1.105 412 F CA 1.291 58.928 58.000 -0.605 0.000 1.239 412 F CB -0.781 38.094 39.000 -0.208 0.000 0.991 412 F HN -0.017 nan 8.300 nan 0.000 0.474 413 A N -0.200 122.658 122.820 0.063 0.000 1.902 413 A HA -0.247 4.075 4.320 0.004 0.000 0.217 413 A C 1.966 179.593 177.584 0.072 0.000 1.181 413 A CA 2.094 54.190 52.037 0.098 0.000 0.623 413 A CB -1.268 17.823 19.000 0.153 0.000 0.818 413 A HN 0.505 nan 8.150 nan 0.000 0.443 414 D N -0.682 119.752 120.400 0.056 0.000 2.123 414 D HA 0.067 4.710 4.640 0.004 0.000 0.200 414 D C 2.020 178.364 176.300 0.074 0.000 0.976 414 D CA 1.403 55.437 54.000 0.056 0.000 0.831 414 D CB -0.179 40.667 40.800 0.077 0.000 0.974 414 D HN 0.314 nan 8.370 nan 0.000 0.469 415 A N -0.229 122.644 122.820 0.088 0.000 1.898 415 A HA -0.093 4.230 4.320 0.004 0.000 0.216 415 A C 2.261 179.959 177.584 0.191 0.000 1.181 415 A CA 1.075 53.195 52.037 0.138 0.000 0.620 415 A CB -1.276 17.837 19.000 0.188 0.000 0.819 415 A HN 0.486 nan 8.150 nan 0.000 0.442 416 F N 0.671 120.607 119.950 -0.024 0.000 2.171 416 F HA -0.076 4.453 4.527 0.004 0.000 0.300 416 F C 2.489 178.382 175.800 0.155 0.000 1.090 416 F CA 1.034 59.035 58.000 0.002 0.000 1.293 416 F CB -0.024 38.816 39.000 -0.266 0.000 1.013 416 F HN 0.289 nan 8.300 nan 0.000 0.486 417 A N 0.877 123.784 122.820 0.144 0.000 1.902 417 A HA -0.181 4.141 4.320 0.004 0.000 0.217 417 A C 2.188 179.806 177.584 0.057 0.000 1.181 417 A CA 1.606 53.716 52.037 0.121 0.000 0.623 417 A CB -0.686 18.364 19.000 0.083 0.000 0.818 417 A HN 0.446 nan 8.150 nan 0.000 0.443 418 R N -0.645 119.797 120.500 -0.096 0.000 2.075 418 R HA -0.031 4.312 4.340 0.004 0.000 0.232 418 R C 2.452 178.758 176.300 0.010 0.000 1.126 418 R CA 1.187 57.109 56.100 -0.296 0.000 0.963 418 R CB -0.408 29.728 30.300 -0.274 0.000 0.858 418 R HN 0.501 nan 8.270 nan 0.000 0.435 419 A N 0.728 123.604 122.820 0.092 0.000 1.969 419 A HA -0.172 4.150 4.320 0.004 0.000 0.218 419 A C 1.852 179.507 177.584 0.120 0.000 1.169 419 A CA 0.731 52.837 52.037 0.114 0.000 0.635 419 A CB -0.811 18.319 19.000 0.217 0.000 0.810 419 A HN 0.604 nan 8.150 nan 0.000 0.445 420 W N -0.428 120.837 121.300 -0.059 0.000 2.381 420 W HA -0.220 4.443 4.660 0.004 0.000 0.301 420 W C 1.808 178.353 176.519 0.044 0.000 1.205 420 W CA 1.703 59.001 57.345 -0.079 0.000 1.285 420 W CB -0.399 28.873 29.460 -0.314 0.000 1.133 420 W HN 0.407 nan 8.180 nan 0.000 0.521 421 F N 2.091 122.092 119.950 0.086 0.000 2.102 421 F HA -0.192 4.337 4.527 0.003 0.000 0.298 421 F C 2.641 178.434 175.800 -0.011 0.000 1.105 421 F CA 2.746 60.799 58.000 0.088 0.000 1.239 421 F CB -0.868 38.251 39.000 0.199 0.000 0.991 421 F HN -0.226 nan 8.300 nan 0.000 0.474 422 K N 0.223 120.491 120.400 -0.220 0.000 2.009 422 K HA -0.241 4.081 4.320 0.004 0.000 0.210 422 K C 2.195 178.317 176.600 -0.797 0.000 1.049 422 K CA 1.859 57.618 56.287 -0.881 0.000 0.929 422 K CB -0.686 31.269 32.500 -0.909 0.000 0.714 422 K HN 0.361 nan 8.250 nan 0.000 0.440 423 L N 1.364 122.280 121.223 -0.512 0.000 2.043 423 L HA -0.184 4.159 4.340 0.004 0.000 0.212 423 L C 2.071 178.599 176.870 -0.570 0.000 1.075 423 L CA 2.704 57.262 54.840 -0.470 0.000 0.752 423 L CB -0.977 40.861 42.059 -0.369 0.000 0.891 423 L HN 0.478 nan 8.230 nan 0.000 0.432 424 T N -5.248 108.919 114.554 -0.645 0.000 3.107 424 T HA 0.049 4.402 4.350 0.004 0.000 0.249 424 T C 0.944 175.167 174.700 -0.795 0.000 1.096 424 T CA 0.832 62.527 62.100 -0.674 0.000 1.012 424 T CB -0.483 67.948 68.868 -0.728 0.000 0.977 424 T HN 0.537 nan 8.240 nan 0.000 0.527 425 H N 0.205 118.858 119.070 -0.695 0.000 3.058 425 H HA 0.343 4.901 4.556 0.004 0.000 0.266 425 H C 2.103 177.190 175.328 -0.402 0.000 1.135 425 H CA -0.373 55.323 56.048 -0.586 0.000 1.174 425 H CB 0.295 29.570 29.762 -0.812 0.000 1.581 425 H HN 0.343 nan 8.280 nan 0.000 0.553 426 R N 0.879 121.040 120.500 -0.564 0.000 2.193 426 R HA -0.080 4.263 4.340 0.004 0.000 0.229 426 R C 0.027 176.067 176.300 -0.435 0.000 1.110 426 R CA 1.730 57.473 56.100 -0.596 0.000 0.988 426 R CB -0.141 29.646 30.300 -0.855 0.000 0.871 426 R HN 0.251 nan 8.270 nan 0.000 0.458 427 D N -0.158 119.964 120.400 -0.464 0.000 2.388 427 D HA 0.035 4.678 4.640 0.004 0.000 0.221 427 D C 1.298 177.513 176.300 -0.141 0.000 1.133 427 D CA -0.120 53.705 54.000 -0.291 0.000 0.831 427 D CB 0.175 40.797 40.800 -0.297 0.000 0.962 427 D HN 0.240 nan 8.370 nan 0.000 0.502 428 M N 0.184 119.733 119.600 -0.085 0.000 2.510 428 M HA 0.209 4.692 4.480 0.004 0.000 0.256 428 M C 0.967 177.249 176.300 -0.030 0.000 1.132 428 M CA 0.798 56.070 55.300 -0.046 0.000 1.105 428 M CB 0.309 32.905 32.600 -0.006 0.000 1.375 428 M HN 0.319 nan 8.290 nan 0.000 0.477 429 G N 0.860 109.661 108.800 0.002 0.000 2.527 429 G HA2 -0.181 3.781 3.960 0.004 0.000 0.227 429 G HA3 -0.181 3.781 3.960 0.004 0.000 0.227 429 G C -2.861 171.978 174.900 -0.101 0.000 1.291 429 G CA -1.163 43.894 45.100 -0.072 0.000 0.904 429 G HN 0.151 nan 8.290 nan 0.000 0.577 430 P HA 0.313 nan 4.420 nan 0.000 0.269 430 P C 0.922 177.974 177.300 -0.413 0.000 1.215 430 P CA -0.121 62.867 63.100 -0.186 0.000 0.780 430 P CB 0.326 32.016 31.700 -0.016 0.000 0.898 431 R N 2.073 122.247 120.500 -0.544 0.000 2.193 431 R HA -0.124 4.218 4.340 0.004 0.000 0.229 431 R C 1.906 177.908 176.300 -0.497 0.000 1.110 431 R CA 1.351 56.892 56.100 -0.931 0.000 0.988 431 R CB -0.761 29.161 30.300 -0.629 0.000 0.871 431 R HN 0.507 nan 8.270 nan 0.000 0.458 432 A N 1.282 123.959 122.820 -0.239 0.000 2.084 432 A HA -0.179 4.144 4.320 0.004 0.000 0.221 432 A C 1.853 179.406 177.584 -0.052 0.000 1.161 432 A CA 1.194 53.177 52.037 -0.089 0.000 0.653 432 A CB -0.290 18.720 19.000 0.016 0.000 0.802 432 A HN 0.253 nan 8.150 nan 0.000 0.457 433 R N -1.792 118.635 120.500 -0.122 0.000 2.276 433 R HA 0.053 4.396 4.340 0.004 0.000 0.196 433 R C -0.453 175.906 176.300 0.099 0.000 0.961 433 R CA -0.118 55.944 56.100 -0.062 0.000 1.024 433 R CB -0.027 30.134 30.300 -0.233 0.000 0.940 433 R HN 0.485 nan 8.270 nan 0.000 0.480 434 Y N 1.629 121.874 120.300 -0.092 0.000 2.465 434 Y HA 0.140 4.693 4.550 0.005 0.000 0.331 434 Y C 0.653 176.516 175.900 -0.061 0.000 1.102 434 Y CA -0.555 57.498 58.100 -0.079 0.000 1.358 434 Y CB 0.047 38.491 38.460 -0.027 0.000 1.213 434 Y HN -0.113 nan 8.280 nan 0.000 0.525 435 L N 2.335 123.574 121.223 0.028 0.000 2.330 435 L HA 0.865 5.207 4.340 0.004 0.000 0.271 435 L C 0.588 177.592 176.870 0.223 0.000 1.013 435 L CA -0.805 54.086 54.840 0.085 0.000 0.816 435 L CB 1.895 43.963 42.059 0.015 0.000 1.287 435 L HN 0.809 nan 8.230 nan 0.000 0.435 436 G N 2.052 111.024 108.800 0.286 0.000 2.592 436 G HA2 -0.105 3.858 3.960 0.004 0.000 0.684 436 G HA3 -0.105 3.858 3.960 0.004 0.000 0.684 436 G C -2.532 172.469 174.900 0.169 0.000 1.291 436 G CA -0.350 44.940 45.100 0.317 0.000 0.891 436 G HN 0.516 nan 8.290 nan 0.000 0.544 437 P HA 0.197 nan 4.420 nan 0.000 0.255 437 P C 0.567 177.906 177.300 0.065 0.000 1.248 437 P CA 0.808 63.949 63.100 0.068 0.000 0.807 437 P CB 0.397 32.117 31.700 0.033 0.000 1.150 438 E N -0.197 120.078 120.200 0.123 0.000 2.558 438 E HA 0.147 4.500 4.350 0.004 0.000 0.205 438 E C -0.173 176.450 176.600 0.039 0.000 1.006 438 E CA -0.253 56.203 56.400 0.094 0.000 0.961 438 E CB 0.904 30.729 29.700 0.208 0.000 1.044 438 E HN 0.018 nan 8.360 nan 0.000 0.465 439 V N 3.738 123.672 119.914 0.032 0.000 2.521 439 V HA 0.061 4.184 4.120 0.004 0.000 0.286 439 V C -1.983 174.043 176.094 -0.112 0.000 1.034 439 V CA -1.198 61.103 62.300 0.002 0.000 1.045 439 V CB 0.078 31.962 31.823 0.100 0.000 0.974 439 V HN 0.085 nan 8.190 nan 0.000 0.480 440 P HA 0.239 nan 4.420 nan 0.000 0.276 440 P C 0.428 177.590 177.300 -0.230 0.000 1.230 440 P CA -0.217 62.621 63.100 -0.437 0.000 0.776 440 P CB 1.118 32.337 31.700 -0.802 0.000 0.888 441 A N 2.718 125.410 122.820 -0.213 0.000 2.014 441 A HA -0.115 4.207 4.320 0.004 0.000 0.218 441 A C 1.043 178.564 177.584 -0.104 0.000 1.163 441 A CA 0.651 52.613 52.037 -0.125 0.000 0.652 441 A CB -0.726 18.206 19.000 -0.112 0.000 0.808 441 A HN 0.646 nan 8.150 nan 0.000 0.449 442 E N 0.629 120.754 120.200 -0.124 0.000 2.366 442 E HA 0.291 4.643 4.350 0.004 0.000 0.266 442 E C -1.029 175.563 176.600 -0.014 0.000 1.015 442 E CA -0.334 56.045 56.400 -0.035 0.000 0.906 442 E CB 0.565 30.307 29.700 0.069 0.000 0.979 442 E HN 0.130 nan 8.360 nan 0.000 0.443 443 V N 6.541 126.432 119.914 -0.038 0.000 2.498 443 V HA 0.203 4.326 4.120 0.004 0.000 0.279 443 V C 0.277 176.310 176.094 -0.102 0.000 1.048 443 V CA -0.287 61.960 62.300 -0.088 0.000 0.967 443 V CB 0.830 32.599 31.823 -0.089 0.000 0.988 443 V HN 0.583 nan 8.190 nan 0.000 0.473 444 L N 4.488 125.574 121.223 -0.227 0.000 2.334 444 L HA 0.392 4.734 4.340 0.004 0.000 0.276 444 L C 0.924 177.586 176.870 -0.347 0.000 1.014 444 L CA -0.653 54.009 54.840 -0.296 0.000 0.815 444 L CB 1.654 43.347 42.059 -0.611 0.000 1.268 444 L HN 0.518 nan 8.230 nan 0.000 0.428 445 L N 3.081 124.217 121.223 -0.145 0.000 2.131 445 L HA -0.150 4.192 4.340 0.004 0.000 0.210 445 L C 2.054 178.914 176.870 -0.018 0.000 1.092 445 L CA 1.726 56.536 54.840 -0.049 0.000 0.759 445 L CB -0.480 41.608 42.059 0.049 0.000 0.903 445 L HN 0.767 nan 8.230 nan 0.000 0.435 446 W N -1.139 120.199 121.300 0.064 0.000 2.611 446 W HA -0.101 4.561 4.660 0.003 0.000 0.251 446 W C 1.341 177.889 176.519 0.048 0.000 1.265 446 W CA 0.247 57.627 57.345 0.057 0.000 1.295 446 W CB -1.084 28.409 29.460 0.055 0.000 1.129 446 W HN 0.336 nan 8.180 nan 0.000 0.630 447 Q N 0.956 120.520 119.800 -0.393 0.000 2.482 447 Q HA -0.075 4.268 4.340 0.004 0.000 0.209 447 Q C -0.263 175.673 176.000 -0.108 0.000 0.961 447 Q CA 0.688 56.297 55.803 -0.324 0.000 0.945 447 Q CB -0.381 28.025 28.738 -0.553 0.000 1.012 447 Q HN 0.078 nan 8.270 nan 0.000 0.515 448 D N 0.844 121.219 120.400 -0.042 0.000 2.737 448 D HA -0.122 4.520 4.640 0.004 0.000 0.238 448 D C -2.450 173.823 176.300 -0.045 0.000 1.157 448 D CA 0.486 54.482 54.000 -0.007 0.000 0.694 448 D CB -0.795 40.028 40.800 0.038 0.000 1.021 448 D HN 0.293 nan 8.370 nan 0.000 0.420 449 P HA 0.125 nan 4.420 nan 0.000 0.269 449 P C 0.224 177.491 177.300 -0.056 0.000 1.215 449 P CA -0.203 62.841 63.100 -0.093 0.000 0.780 449 P CB 0.886 32.523 31.700 -0.104 0.000 0.898 450 I N 2.617 123.153 120.570 -0.057 0.000 2.406 450 I HA 0.299 4.471 4.170 0.004 0.000 0.290 450 I C -2.116 173.976 176.117 -0.041 0.000 0.999 450 I CA -2.667 58.611 61.300 -0.037 0.000 1.124 450 I CB 0.914 38.897 38.000 -0.029 0.000 1.289 450 I HN 0.162 nan 8.210 nan 0.000 0.441 451 P HA 0.157 nan 4.420 nan 0.000 0.268 451 P C -0.203 177.077 177.300 -0.033 0.000 1.208 451 P CA -0.243 62.841 63.100 -0.027 0.000 0.777 451 P CB 0.558 32.253 31.700 -0.009 0.000 0.875 452 A N 2.235 125.032 122.820 -0.039 0.000 2.445 452 A HA 0.255 4.578 4.320 0.004 0.000 0.242 452 A C 0.037 177.584 177.584 -0.062 0.000 1.075 452 A CA -0.323 51.683 52.037 -0.051 0.000 0.777 452 A CB -0.028 18.942 19.000 -0.049 0.000 1.013 452 A HN 0.395 nan 8.150 nan 0.000 0.493 453 V N 2.617 122.468 119.914 -0.104 0.000 2.498 453 V HA 0.269 4.392 4.120 0.004 0.000 0.279 453 V C -0.115 175.853 176.094 -0.210 0.000 1.048 453 V CA 0.310 62.487 62.300 -0.206 0.000 0.967 453 V CB 1.263 32.920 31.823 -0.276 0.000 0.988 453 V HN 1.011 nan 8.190 nan 0.000 0.473 454 D N 2.166 122.442 120.400 -0.206 0.000 2.740 454 D HA 0.215 4.858 4.640 0.004 0.000 0.301 454 D C -0.199 176.087 176.300 -0.023 0.000 1.408 454 D CA -0.331 53.617 54.000 -0.088 0.000 0.808 454 D CB -0.030 40.767 40.800 -0.006 0.000 1.128 454 D HN 0.768 nan 8.370 nan 0.000 0.465 455 H N -3.289 115.787 119.070 0.010 0.000 2.985 455 H HA 0.771 5.329 4.556 0.004 0.000 0.360 455 H C -3.084 172.258 175.328 0.022 0.000 1.221 455 H CA -2.131 53.928 56.048 0.017 0.000 1.121 455 H CB -0.121 29.656 29.762 0.025 0.000 1.854 455 H HN -0.319 nan 8.280 nan 0.000 0.551 456 P HA 0.120 nan 4.420 nan 0.000 0.269 456 P C -0.387 177.076 177.300 0.270 0.000 1.209 456 P CA -0.193 63.001 63.100 0.156 0.000 0.776 456 P CB 0.667 32.442 31.700 0.126 0.000 0.876 457 L N 2.370 123.684 121.223 0.152 0.000 2.387 457 L HA 0.453 4.796 4.340 0.004 0.000 0.266 457 L C 0.971 177.945 176.870 0.173 0.000 1.059 457 L CA -1.325 53.623 54.840 0.180 0.000 0.801 457 L CB 0.454 42.564 42.059 0.086 0.000 1.223 457 L HN 0.358 nan 8.230 nan 0.000 0.456 458 I N -1.122 119.561 120.570 0.188 0.000 2.872 458 I HA 0.087 4.259 4.170 0.004 0.000 0.291 458 I C -0.247 175.956 176.117 0.143 0.000 1.216 458 I CA -0.450 60.956 61.300 0.177 0.000 1.424 458 I CB 0.198 38.265 38.000 0.112 0.000 1.351 458 I HN 0.578 nan 8.210 nan 0.000 0.592 459 D N 4.159 124.639 120.400 0.132 0.000 2.588 459 D HA 0.525 5.167 4.640 0.004 0.000 0.268 459 D C 0.830 177.191 176.300 0.101 0.000 1.176 459 D CA -0.334 53.728 54.000 0.103 0.000 1.080 459 D CB 0.948 41.798 40.800 0.084 0.000 1.186 459 D HN 0.576 nan 8.370 nan 0.000 0.619 460 A N -0.439 122.430 122.820 0.083 0.000 1.969 460 A HA 0.142 4.464 4.320 0.004 0.000 0.218 460 A C 2.098 179.720 177.584 0.062 0.000 1.169 460 A CA 2.128 54.211 52.037 0.077 0.000 0.635 460 A CB -1.308 17.729 19.000 0.062 0.000 0.810 460 A HN 0.643 nan 8.150 nan 0.000 0.445 461 A N 0.012 122.871 122.820 0.065 0.000 1.929 461 A HA -0.119 4.203 4.320 0.004 0.000 0.216 461 A C 1.710 179.340 177.584 0.077 0.000 1.176 461 A CA 1.634 53.709 52.037 0.062 0.000 0.628 461 A CB -0.403 18.635 19.000 0.064 0.000 0.816 461 A HN 0.459 nan 8.150 nan 0.000 0.444 462 D N 0.330 120.794 120.400 0.106 0.000 2.144 462 D HA -0.033 4.610 4.640 0.004 0.000 0.200 462 D C 2.199 178.493 176.300 -0.010 0.000 0.978 462 D CA 1.406 55.491 54.000 0.141 0.000 0.833 462 D CB -0.412 40.519 40.800 0.219 0.000 0.961 462 D HN 0.421 nan 8.370 nan 0.000 0.470 463 A N 1.196 124.004 122.820 -0.020 0.000 1.933 463 A HA -0.036 4.287 4.320 0.004 0.000 0.218 463 A C 2.318 179.844 177.584 -0.097 0.000 1.175 463 A CA 2.005 53.978 52.037 -0.107 0.000 0.628 463 A CB -0.541 18.440 19.000 -0.032 0.000 0.814 463 A HN 0.236 nan 8.150 nan 0.000 0.444 464 A N -0.327 122.476 122.820 -0.028 0.000 1.898 464 A HA -0.154 4.169 4.320 0.004 0.000 0.216 464 A C 2.035 179.608 177.584 -0.019 0.000 1.181 464 A CA 1.707 53.733 52.037 -0.020 0.000 0.620 464 A CB -0.500 18.505 19.000 0.009 0.000 0.819 464 A HN 0.677 nan 8.150 nan 0.000 0.442 465 E N -0.068 120.136 120.200 0.006 0.000 2.051 465 E HA -0.178 4.175 4.350 0.004 0.000 0.192 465 E C 1.940 178.533 176.600 -0.013 0.000 0.991 465 E CA 1.209 57.628 56.400 0.032 0.000 0.799 465 E CB -0.229 29.543 29.700 0.119 0.000 0.748 465 E HN 0.602 nan 8.360 nan 0.000 0.449 466 L N 0.618 121.779 121.223 -0.103 0.000 2.046 466 L HA -0.190 4.152 4.340 0.004 0.000 0.208 466 L C 2.665 179.455 176.870 -0.134 0.000 1.077 466 L CA 1.356 56.088 54.840 -0.180 0.000 0.747 466 L CB -0.267 41.574 42.059 -0.364 0.000 0.896 466 L HN 0.081 nan 8.230 nan 0.000 0.432 467 K N -0.241 120.080 120.400 -0.131 0.000 2.097 467 K HA -0.141 4.181 4.320 0.004 0.000 0.206 467 K C 2.195 178.759 176.600 -0.060 0.000 1.049 467 K CA 1.290 57.515 56.287 -0.103 0.000 0.933 467 K CB -0.205 32.237 32.500 -0.096 0.000 0.717 467 K HN 0.301 nan 8.250 nan 0.000 0.442 468 A N 1.932 124.727 122.820 -0.041 0.000 1.898 468 A HA -0.163 4.160 4.320 0.004 0.000 0.216 468 A C 1.851 179.425 177.584 -0.017 0.000 1.181 468 A CA 1.319 53.343 52.037 -0.021 0.000 0.620 468 A CB -0.208 18.788 19.000 -0.006 0.000 0.819 468 A HN 0.169 nan 8.150 nan 0.000 0.442 469 K N -0.281 120.110 120.400 -0.016 0.000 2.057 469 K HA -0.087 4.235 4.320 0.004 0.000 0.207 469 K C 1.889 178.478 176.600 -0.018 0.000 1.049 469 K CA 1.431 57.714 56.287 -0.007 0.000 0.931 469 K CB -0.475 32.029 32.500 0.006 0.000 0.714 469 K HN 0.308 nan 8.250 nan 0.000 0.440 470 V N 2.091 121.984 119.914 -0.037 0.000 2.295 470 V HA -0.232 3.890 4.120 0.004 0.000 0.246 470 V C 2.258 178.337 176.094 -0.025 0.000 1.049 470 V CA 1.622 63.900 62.300 -0.036 0.000 1.024 470 V CB -0.397 31.393 31.823 -0.055 0.000 0.648 470 V HN 0.270 nan 8.190 nan 0.000 0.447 471 L N -0.046 121.162 121.223 -0.026 0.000 2.156 471 L HA -0.061 4.281 4.340 0.004 0.000 0.208 471 L C 2.530 179.393 176.870 -0.012 0.000 1.095 471 L CA 1.275 56.103 54.840 -0.019 0.000 0.770 471 L CB -0.646 41.400 42.059 -0.021 0.000 0.914 471 L HN 0.350 nan 8.230 nan 0.000 0.439 472 A N -0.254 122.561 122.820 -0.009 0.000 2.167 472 A HA -0.105 4.218 4.320 0.004 0.000 0.214 472 A C 2.410 179.992 177.584 -0.003 0.000 1.151 472 A CA 1.261 53.295 52.037 -0.004 0.000 0.735 472 A CB -0.381 18.619 19.000 -0.000 0.000 0.802 472 A HN 0.488 nan 8.150 nan 0.000 0.467 473 S N -2.101 113.597 115.700 -0.004 0.000 2.489 473 S HA 0.337 4.810 4.470 0.004 0.000 0.228 473 S C 1.522 176.122 174.600 -0.001 0.000 0.995 473 S CA 1.173 59.372 58.200 -0.002 0.000 0.934 473 S CB -0.167 63.031 63.200 -0.003 0.000 0.771 473 S HN 1.761 nan 8.310 nan 0.000 0.522 474 G N 0.632 109.431 108.800 -0.002 0.000 2.195 474 G HA2 -0.194 3.769 3.960 0.004 0.000 0.224 474 G HA3 -0.194 3.769 3.960 0.004 0.000 0.224 474 G C -0.033 174.866 174.900 -0.001 0.000 0.990 474 G CA -0.047 45.052 45.100 -0.001 0.000 0.639 474 G HN 0.500 nan 8.290 nan 0.000 0.514 475 L N 2.357 123.579 121.223 -0.002 0.000 2.485 475 L HA 0.408 4.750 4.340 0.004 0.000 0.275 475 L C 1.657 178.525 176.870 -0.003 0.000 1.207 475 L CA 0.704 55.544 54.840 0.000 0.000 0.855 475 L CB 0.607 42.666 42.059 0.000 0.000 1.114 475 L HN 0.463 nan 8.230 nan 0.000 0.485 476 T N -0.721 113.832 114.554 -0.001 0.000 2.902 476 T HA 0.257 4.609 4.350 0.004 0.000 0.280 476 T C 1.272 175.965 174.700 -0.012 0.000 0.992 476 T CA -0.986 61.110 62.100 -0.007 0.000 1.015 476 T CB 1.559 70.425 68.868 -0.004 0.000 1.044 476 T HN 0.239 nan 8.240 nan 0.000 0.520 477 V N 1.327 121.226 119.914 -0.025 0.000 2.282 477 V HA -0.203 3.920 4.120 0.004 0.000 0.249 477 V C 3.048 179.122 176.094 -0.034 0.000 1.057 477 V CA 2.549 64.823 62.300 -0.044 0.000 1.032 477 V CB -1.208 30.576 31.823 -0.066 0.000 0.645 477 V HN 1.116 nan 8.190 nan 0.000 0.447 478 S N -0.984 114.701 115.700 -0.025 0.000 2.365 478 S HA -0.330 4.143 4.470 0.004 0.000 0.225 478 S C 2.050 176.663 174.600 0.021 0.000 1.039 478 S CA 2.311 60.506 58.200 -0.009 0.000 1.033 478 S CB -0.286 62.910 63.200 -0.007 0.000 0.887 478 S HN 0.713 nan 8.310 nan 0.000 0.447 479 Q N 0.016 119.830 119.800 0.022 0.000 2.119 479 Q HA -0.002 4.340 4.340 0.004 0.000 0.201 479 Q C 2.330 178.366 176.000 0.059 0.000 0.972 479 Q CA 1.511 57.338 55.803 0.040 0.000 0.847 479 Q CB -0.235 28.519 28.738 0.027 0.000 0.903 479 Q HN 0.540 nan 8.270 nan 0.000 0.433 480 L N -0.484 120.766 121.223 0.046 0.000 2.027 480 L HA -0.154 4.188 4.340 0.004 0.000 0.206 480 L C 2.303 179.254 176.870 0.135 0.000 1.074 480 L CA 0.702 55.581 54.840 0.066 0.000 0.745 480 L CB -0.365 41.710 42.059 0.027 0.000 0.898 480 L HN 0.086 nan 8.230 nan 0.000 0.433 481 V N -0.979 118.996 119.914 0.100 0.000 2.307 481 V HA -0.234 3.889 4.120 0.004 0.000 0.245 481 V C 2.565 178.863 176.094 0.340 0.000 1.045 481 V CA 1.945 64.350 62.300 0.174 0.000 1.024 481 V CB -0.255 31.548 31.823 -0.033 0.000 0.651 481 V HN 0.358 nan 8.190 nan 0.000 0.449 482 S N -0.181 115.647 115.700 0.214 0.000 2.368 482 S HA -0.206 4.266 4.470 0.004 0.000 0.225 482 S C 2.074 176.838 174.600 0.273 0.000 1.030 482 S CA 1.977 60.328 58.200 0.251 0.000 0.999 482 S CB -0.437 62.850 63.200 0.147 0.000 0.844 482 S HN 0.689 nan 8.310 nan 0.000 0.459 483 T N 2.383 117.054 114.554 0.196 0.000 2.708 483 T HA -0.037 4.316 4.350 0.004 0.000 0.266 483 T C 2.166 176.961 174.700 0.158 0.000 1.037 483 T CA 1.278 63.465 62.100 0.145 0.000 1.146 483 T CB -0.509 68.417 68.868 0.097 0.000 0.865 483 T HN 0.470 nan 8.240 nan 0.000 0.435 484 A N 1.179 124.142 122.820 0.239 0.000 1.930 484 A HA -0.082 4.240 4.320 0.004 0.000 0.217 484 A C 2.148 179.809 177.584 0.127 0.000 1.175 484 A CA 1.156 53.315 52.037 0.204 0.000 0.627 484 A CB -1.050 18.175 19.000 0.375 0.000 0.815 484 A HN 0.758 nan 8.150 nan 0.000 0.443 485 W N 0.859 122.242 121.300 0.137 0.000 2.358 485 W HA -0.195 4.467 4.660 0.004 0.000 0.303 485 W C 2.189 178.721 176.519 0.022 0.000 1.208 485 W CA 1.989 59.359 57.345 0.042 0.000 1.274 485 W CB -0.279 29.295 29.460 0.190 0.000 1.138 485 W HN 0.417 nan 8.180 nan 0.000 0.515 486 A N 0.931 123.797 122.820 0.077 0.000 1.933 486 A HA -0.069 4.253 4.320 0.004 0.000 0.218 486 A C 2.153 179.668 177.584 -0.115 0.000 1.175 486 A CA 2.522 54.544 52.037 -0.025 0.000 0.628 486 A CB -1.222 17.837 19.000 0.099 0.000 0.814 486 A HN 0.326 nan 8.150 nan 0.000 0.444 487 A N -0.411 122.349 122.820 -0.100 0.000 1.898 487 A HA 0.260 4.582 4.320 0.004 0.000 0.216 487 A C 2.422 179.897 177.584 -0.182 0.000 1.181 487 A CA 1.897 53.868 52.037 -0.110 0.000 0.620 487 A CB -0.798 18.159 19.000 -0.073 0.000 0.819 487 A HN 1.004 nan 8.150 nan 0.000 0.442 488 A N -0.158 122.482 122.820 -0.300 0.000 2.030 488 A HA 0.116 4.439 4.320 0.004 0.000 0.215 488 A C 2.166 179.479 177.584 -0.453 0.000 1.164 488 A CA 1.514 53.331 52.037 -0.366 0.000 0.697 488 A CB -0.555 18.161 19.000 -0.473 0.000 0.827 488 A HN 0.913 nan 8.150 nan 0.000 0.457 489 S N -0.137 115.135 115.700 -0.714 0.000 2.631 489 S HA -0.033 4.439 4.470 0.004 0.000 0.217 489 S C 1.373 175.767 174.600 -0.343 0.000 0.958 489 S CA 0.960 58.662 58.200 -0.831 0.000 0.920 489 S CB -0.975 61.131 63.200 -1.823 0.000 0.776 489 S HN 0.624 nan 8.310 nan 0.000 0.517 490 T N -1.452 113.005 114.554 -0.162 0.000 3.118 490 T HA 0.187 4.539 4.350 0.004 0.000 0.260 490 T C 0.257 174.979 174.700 0.037 0.000 1.139 490 T CA -0.407 61.695 62.100 0.004 0.000 1.085 490 T CB -0.777 68.157 68.868 0.110 0.000 0.934 490 T HN 0.388 nan 8.240 nan 0.000 0.518 491 F N 4.232 124.107 119.950 -0.124 0.000 2.518 491 F HA 0.336 4.865 4.527 0.003 0.000 0.359 491 F C 0.676 176.448 175.800 -0.047 0.000 1.118 491 F CA -0.984 56.973 58.000 -0.071 0.000 1.287 491 F CB 0.607 39.539 39.000 -0.113 0.000 1.132 491 F HN 0.165 nan 8.300 nan 0.000 0.587 492 R N 3.952 123.958 120.500 -0.823 0.000 2.628 492 R HA 0.504 4.846 4.340 0.004 0.000 0.288 492 R C 0.250 176.029 176.300 -0.868 0.000 0.980 492 R CA -0.521 55.244 56.100 -0.558 0.000 0.891 492 R CB 1.230 31.372 30.300 -0.263 0.000 1.188 492 R HN 0.747 nan 8.270 nan 0.000 0.450 493 G N 0.904 109.511 108.800 -0.323 0.000 2.534 493 G HA2 -0.214 3.748 3.960 0.004 0.000 0.217 493 G HA3 -0.214 3.748 3.960 0.004 0.000 0.217 493 G C 1.196 176.057 174.900 -0.066 0.000 1.128 493 G CA 0.613 45.668 45.100 -0.074 0.000 0.784 493 G HN 0.739 nan 8.290 nan 0.000 0.542 494 S N 1.595 117.235 115.700 -0.101 0.000 2.359 494 S HA -0.162 4.311 4.470 0.004 0.000 0.224 494 S C 1.578 176.174 174.600 -0.006 0.000 1.035 494 S CA 1.760 59.937 58.200 -0.038 0.000 1.018 494 S CB -0.152 63.015 63.200 -0.055 0.000 0.876 494 S HN 0.489 nan 8.310 nan 0.000 0.448 495 D N -0.528 119.847 120.400 -0.041 0.000 2.540 495 D HA 0.217 4.859 4.640 0.004 0.000 0.229 495 D C 0.075 176.328 176.300 -0.079 0.000 1.250 495 D CA -0.318 53.683 54.000 0.002 0.000 0.817 495 D CB -0.504 40.403 40.800 0.179 0.000 1.060 495 D HN 0.404 nan 8.370 nan 0.000 0.508 496 K N -0.016 120.256 120.400 -0.213 0.000 3.160 496 K HA -0.215 4.108 4.320 0.004 0.000 0.280 496 K C -0.115 176.405 176.600 -0.133 0.000 1.154 496 K CA 0.607 56.776 56.287 -0.198 0.000 0.822 496 K CB -1.212 31.303 32.500 0.026 0.000 1.239 496 K HN 0.306 nan 8.250 nan 0.000 0.489 497 R N 0.182 120.551 120.500 -0.217 0.000 2.532 497 R HA 0.573 4.916 4.340 0.004 0.000 0.272 497 R C 0.913 177.164 176.300 -0.082 0.000 1.032 497 R CA 0.168 56.233 56.100 -0.058 0.000 1.089 497 R CB 1.233 31.535 30.300 0.002 0.000 1.098 497 R HN 0.318 nan 8.270 nan 0.000 0.526 498 G N -0.389 108.454 108.800 0.072 0.000 2.728 498 G HA2 0.220 4.182 3.960 0.004 0.000 0.294 498 G HA3 0.220 4.182 3.960 0.004 0.000 0.294 498 G C -0.093 174.954 174.900 0.246 0.000 1.342 498 G CA -0.469 44.700 45.100 0.116 0.000 0.866 498 G HN 1.136 nan 8.290 nan 0.000 0.534 499 G N -2.659 106.239 108.800 0.163 0.000 2.541 499 G HA2 0.489 4.452 3.960 0.004 0.000 0.686 499 G HA3 0.489 4.452 3.960 0.004 0.000 0.686 499 G C 0.877 175.765 174.900 -0.021 0.000 1.286 499 G CA 0.908 46.054 45.100 0.076 0.000 0.894 499 G HN 2.450 nan 8.290 nan 0.000 0.575 500 A N -0.167 122.596 122.820 -0.095 0.000 2.169 500 A HA 0.304 4.627 4.320 0.004 0.000 0.212 500 A C 1.257 178.807 177.584 -0.056 0.000 1.153 500 A CA 1.460 53.444 52.037 -0.088 0.000 0.756 500 A CB -0.293 18.635 19.000 -0.120 0.000 0.813 500 A HN 1.140 nan 8.150 nan 0.000 0.471 501 N N -0.059 118.611 118.700 -0.051 0.000 2.458 501 N HA 0.318 5.060 4.740 0.004 0.000 0.258 501 N C 1.136 176.637 175.510 -0.016 0.000 1.219 501 N CA 1.581 54.611 53.050 -0.034 0.000 0.902 501 N CB 0.595 39.063 38.487 -0.032 0.000 1.076 501 N HN 0.571 nan 8.380 nan 0.000 0.455 502 G N 2.088 110.880 108.800 -0.014 0.000 2.232 502 G HA2 -0.140 3.822 3.960 0.004 0.000 0.226 502 G HA3 -0.140 3.822 3.960 0.004 0.000 0.226 502 G C 0.453 175.341 174.900 -0.021 0.000 0.996 502 G CA 0.392 45.483 45.100 -0.014 0.000 0.626 502 G HN 1.634 nan 8.290 nan 0.000 0.509 503 A N -0.555 122.250 122.820 -0.025 0.000 2.704 503 A HA -0.277 4.046 4.320 0.004 0.000 0.299 503 A C 1.560 179.114 177.584 -0.051 0.000 1.507 503 A CA 2.296 54.313 52.037 -0.033 0.000 0.776 503 A CB -1.609 17.379 19.000 -0.020 0.000 1.027 503 A HN 1.016 nan 8.150 nan 0.000 0.475 504 R N -0.782 119.680 120.500 -0.063 0.000 2.316 504 R HA 0.102 4.445 4.340 0.004 0.000 0.202 504 R C 1.896 178.107 176.300 -0.149 0.000 1.029 504 R CA 1.026 57.070 56.100 -0.093 0.000 1.018 504 R CB -0.233 30.016 30.300 -0.086 0.000 0.888 504 R HN 0.823 nan 8.270 nan 0.000 0.471 505 I N 2.105 122.595 120.570 -0.134 0.000 2.567 505 I HA -0.271 3.902 4.170 0.004 0.000 0.257 505 I C 2.270 178.303 176.117 -0.140 0.000 1.184 505 I CA 1.245 62.449 61.300 -0.159 0.000 1.451 505 I CB 0.007 37.949 38.000 -0.098 0.000 1.089 505 I HN 0.132 nan 8.210 nan 0.000 0.441 506 R N 0.195 120.634 120.500 -0.102 0.000 2.297 506 R HA 0.146 4.489 4.340 0.004 0.000 0.197 506 R C 0.357 176.604 176.300 -0.090 0.000 0.943 506 R CA 0.019 56.072 56.100 -0.080 0.000 1.038 506 R CB -0.092 30.178 30.300 -0.050 0.000 0.957 506 R HN 0.293 nan 8.270 nan 0.000 0.484 507 L N 0.802 121.954 121.223 -0.118 0.000 2.331 507 L HA 0.574 4.916 4.340 0.004 0.000 0.268 507 L C 0.202 176.983 176.870 -0.148 0.000 1.015 507 L CA -1.355 53.422 54.840 -0.105 0.000 0.807 507 L CB 1.430 43.433 42.059 -0.093 0.000 1.293 507 L HN 0.047 nan 8.230 nan 0.000 0.451 508 A N 1.356 124.110 122.820 -0.110 0.000 2.407 508 A HA 0.397 4.719 4.320 0.004 0.000 0.248 508 A C -1.896 175.602 177.584 -0.143 0.000 1.082 508 A CA -0.907 51.056 52.037 -0.123 0.000 0.785 508 A CB -0.034 18.935 19.000 -0.052 0.000 1.020 508 A HN 0.582 nan 8.150 nan 0.000 0.489 509 P HA 0.036 nan 4.420 nan 0.000 0.267 509 P C 0.692 177.530 177.300 -0.770 0.000 1.289 509 P CA 0.389 63.339 63.100 -0.250 0.000 0.866 509 P CB 0.409 32.124 31.700 0.025 0.000 1.309 510 Q N 1.302 120.500 119.800 -1.003 0.000 2.181 510 Q HA -0.162 4.180 4.340 0.004 0.000 0.205 510 Q C 2.067 177.627 176.000 -0.733 0.000 0.980 510 Q CA 1.603 56.510 55.803 -1.493 0.000 0.862 510 Q CB -0.430 27.720 28.738 -0.980 0.000 0.905 510 Q HN 0.462 nan 8.270 nan 0.000 0.429 511 K N 0.162 120.314 120.400 -0.413 0.000 2.362 511 K HA -0.119 4.204 4.320 0.004 0.000 0.200 511 K C 0.509 177.036 176.600 -0.121 0.000 1.046 511 K CA 1.439 57.605 56.287 -0.201 0.000 0.952 511 K CB 0.270 32.690 32.500 -0.134 0.000 0.753 511 K HN 0.064 nan 8.250 nan 0.000 0.466 512 D N -0.369 119.948 120.400 -0.139 0.000 2.398 512 D HA 0.023 4.665 4.640 0.004 0.000 0.210 512 D C -0.337 176.054 176.300 0.152 0.000 1.094 512 D CA -0.071 53.933 54.000 0.007 0.000 0.839 512 D CB 0.149 40.961 40.800 0.019 0.000 0.963 512 D HN 0.159 nan 8.370 nan 0.000 0.506 513 W N 2.282 123.587 121.300 0.009 0.000 2.216 513 W HA 0.132 4.799 4.660 0.012 0.000 0.326 513 W C 1.816 178.327 176.519 -0.013 0.000 1.319 513 W CA -0.982 56.367 57.345 0.008 0.000 1.213 513 W CB 0.471 29.928 29.460 -0.004 0.000 1.171 513 W HN 0.051 nan 8.180 nan 0.000 0.557 514 E N 2.358 122.695 120.200 0.228 0.000 2.085 514 E HA -0.222 4.131 4.350 0.004 0.000 0.194 514 E C 2.026 178.581 176.600 -0.075 0.000 0.994 514 E CA 1.944 58.412 56.400 0.113 0.000 0.801 514 E CB 0.105 29.920 29.700 0.191 0.000 0.743 514 E HN 0.489 nan 8.360 nan 0.000 0.453 515 A N 0.977 123.611 122.820 -0.310 0.000 2.024 515 A HA -0.180 4.142 4.320 0.004 0.000 0.220 515 A C 1.729 179.203 177.584 -0.183 0.000 1.164 515 A CA 1.535 53.152 52.037 -0.699 0.000 0.643 515 A CB -0.439 18.144 19.000 -0.694 0.000 0.806 515 A HN 0.253 nan 8.150 nan 0.000 0.451 516 N N -0.054 118.661 118.700 0.026 0.000 2.461 516 N HA 0.029 4.772 4.740 0.004 0.000 0.188 516 N C -0.477 175.063 175.510 0.050 0.000 1.134 516 N CA 0.420 53.517 53.050 0.077 0.000 0.878 516 N CB -0.206 38.354 38.487 0.122 0.000 0.972 516 N HN 0.575 nan 8.380 nan 0.000 0.456 517 Q N -1.129 118.690 119.800 0.032 0.000 2.453 517 Q HA -0.161 4.182 4.340 0.004 0.000 0.350 517 Q C -1.845 174.178 176.000 0.039 0.000 1.447 517 Q CA -0.201 55.624 55.803 0.037 0.000 0.968 517 Q CB -1.166 27.594 28.738 0.038 0.000 1.175 517 Q HN 0.280 nan 8.270 nan 0.000 0.354 518 P HA -0.259 nan 4.420 nan 0.000 0.217 518 P C 1.091 178.405 177.300 0.023 0.000 1.158 518 P CA 1.433 64.551 63.100 0.030 0.000 0.887 518 P CB 0.148 31.872 31.700 0.039 0.000 0.792 519 E N -0.429 119.787 120.200 0.028 0.000 2.072 519 E HA -0.221 4.131 4.350 0.004 0.000 0.191 519 E C 2.147 178.759 176.600 0.021 0.000 0.985 519 E CA 1.036 57.449 56.400 0.022 0.000 0.801 519 E CB -0.688 29.027 29.700 0.024 0.000 0.750 519 E HN 0.468 nan 8.360 nan 0.000 0.452 520 Q N 0.808 120.623 119.800 0.025 0.000 2.079 520 Q HA -0.151 4.191 4.340 0.004 0.000 0.200 520 Q C 2.333 178.347 176.000 0.024 0.000 0.974 520 Q CA 0.874 56.692 55.803 0.025 0.000 0.840 520 Q CB -0.094 28.663 28.738 0.031 0.000 0.898 520 Q HN 0.183 nan 8.270 nan 0.000 0.430 521 L N 0.843 122.080 121.223 0.024 0.000 2.042 521 L HA -0.111 4.231 4.340 0.004 0.000 0.210 521 L C 2.260 179.135 176.870 0.009 0.000 1.076 521 L CA 2.304 57.155 54.840 0.019 0.000 0.749 521 L CB -0.898 41.169 42.059 0.012 0.000 0.893 521 L HN 0.287 nan 8.230 nan 0.000 0.432 522 A N -0.601 122.223 122.820 0.006 0.000 1.933 522 A HA -0.071 4.252 4.320 0.004 0.000 0.218 522 A C 2.435 180.022 177.584 0.004 0.000 1.175 522 A CA 1.737 53.775 52.037 0.001 0.000 0.628 522 A CB -1.107 17.894 19.000 0.002 0.000 0.814 522 A HN 0.590 nan 8.150 nan 0.000 0.444 523 A N -0.671 122.154 122.820 0.009 0.000 1.930 523 A HA 0.065 4.387 4.320 0.004 0.000 0.217 523 A C 2.204 179.793 177.584 0.009 0.000 1.175 523 A CA 1.628 53.670 52.037 0.009 0.000 0.627 523 A CB -0.767 18.240 19.000 0.011 0.000 0.815 523 A HN 0.352 nan 8.150 nan 0.000 0.443 524 V N 0.243 120.164 119.914 0.012 0.000 2.358 524 V HA -0.225 3.898 4.120 0.004 0.000 0.246 524 V C 2.532 178.631 176.094 0.007 0.000 1.047 524 V CA 1.814 64.121 62.300 0.013 0.000 1.035 524 V CB -0.734 31.102 31.823 0.022 0.000 0.658 524 V HN 0.564 nan 8.190 nan 0.000 0.452 525 L N -0.042 121.184 121.223 0.004 0.000 2.083 525 L HA -0.200 4.142 4.340 0.004 0.000 0.209 525 L C 2.571 179.440 176.870 -0.002 0.000 1.083 525 L CA 1.972 56.811 54.840 -0.002 0.000 0.752 525 L CB -0.569 41.485 42.059 -0.008 0.000 0.899 525 L HN 0.465 nan 8.230 nan 0.000 0.433 526 E N -0.069 120.131 120.200 -0.000 0.000 2.106 526 E HA -0.189 4.164 4.350 0.004 0.000 0.192 526 E C 1.948 178.549 176.600 0.002 0.000 0.984 526 E CA 1.699 58.100 56.400 0.001 0.000 0.806 526 E CB 0.124 29.825 29.700 0.002 0.000 0.750 526 E HN 0.349 nan 8.360 nan 0.000 0.458 527 T N 1.342 115.897 114.554 0.002 0.000 2.777 527 T HA -0.095 4.258 4.350 0.004 0.000 0.266 527 T C 1.849 176.548 174.700 -0.001 0.000 1.040 527 T CA 1.112 63.213 62.100 0.002 0.000 1.141 527 T CB -0.146 68.723 68.868 0.002 0.000 0.868 527 T HN 0.159 nan 8.240 nan 0.000 0.444 528 L N 0.619 121.840 121.223 -0.004 0.000 2.093 528 L HA -0.076 4.266 4.340 0.004 0.000 0.208 528 L C 2.641 179.507 176.870 -0.007 0.000 1.085 528 L CA 1.355 56.188 54.840 -0.011 0.000 0.755 528 L CB -0.561 41.489 42.059 -0.014 0.000 0.904 528 L HN 0.330 nan 8.230 nan 0.000 0.435 529 E N 0.187 120.385 120.200 -0.003 0.000 2.150 529 E HA -0.175 4.178 4.350 0.004 0.000 0.193 529 E C 2.301 178.906 176.600 0.009 0.000 0.985 529 E CA 1.032 57.433 56.400 0.002 0.000 0.814 529 E CB -0.119 29.581 29.700 0.001 0.000 0.752 529 E HN 0.492 nan 8.360 nan 0.000 0.466 530 A N 1.065 123.890 122.820 0.009 0.000 1.898 530 A HA -0.138 4.185 4.320 0.004 0.000 0.216 530 A C 2.158 179.756 177.584 0.024 0.000 1.181 530 A CA 0.879 52.924 52.037 0.014 0.000 0.620 530 A CB -0.476 18.530 19.000 0.010 0.000 0.819 530 A HN 0.127 nan 8.150 nan 0.000 0.442 531 I N -0.930 119.652 120.570 0.019 0.000 2.208 531 I HA -0.274 3.898 4.170 0.004 0.000 0.245 531 I C 2.749 178.900 176.117 0.057 0.000 1.097 531 I CA 1.717 63.034 61.300 0.029 0.000 1.363 531 I CB -0.295 37.704 38.000 -0.002 0.000 1.051 531 I HN 0.379 nan 8.210 nan 0.000 0.413 532 R N 0.379 120.900 120.500 0.035 0.000 2.073 532 R HA -0.169 4.174 4.340 0.004 0.000 0.234 532 R C 2.284 178.646 176.300 0.103 0.000 1.134 532 R CA 2.141 58.275 56.100 0.056 0.000 0.952 532 R CB -0.301 30.011 30.300 0.019 0.000 0.850 532 R HN 0.248 nan 8.270 nan 0.000 0.433 533 T N 0.507 115.098 114.554 0.061 0.000 2.746 533 T HA -0.092 4.260 4.350 0.004 0.000 0.267 533 T C 1.738 176.472 174.700 0.056 0.000 1.039 533 T CA 1.355 63.483 62.100 0.047 0.000 1.142 533 T CB -0.222 68.661 68.868 0.025 0.000 0.866 533 T HN 0.468 nan 8.240 nan 0.000 0.444 534 A N 0.773 123.633 122.820 0.067 0.000 1.898 534 A HA 0.014 4.337 4.320 0.004 0.000 0.216 534 A C 2.015 179.643 177.584 0.073 0.000 1.181 534 A CA 1.227 53.297 52.037 0.054 0.000 0.620 534 A CB -0.928 18.104 19.000 0.055 0.000 0.819 534 A HN 0.505 nan 8.150 nan 0.000 0.442 535 F N 1.359 121.296 119.950 -0.021 0.000 2.102 535 F HA -0.185 4.343 4.527 0.003 0.000 0.298 535 F C 1.949 177.732 175.800 -0.028 0.000 1.105 535 F CA 2.047 60.034 58.000 -0.022 0.000 1.239 535 F CB -0.172 38.813 39.000 -0.023 0.000 0.991 535 F HN 0.194 nan 8.300 nan 0.000 0.474 536 N N 0.441 119.219 118.700 0.129 0.000 2.244 536 N HA -0.069 4.673 4.740 0.004 0.000 0.183 536 N C 1.971 177.423 175.510 -0.096 0.000 1.016 536 N CA 1.235 54.295 53.050 0.016 0.000 0.866 536 N CB -0.994 37.530 38.487 0.061 0.000 0.980 536 N HN 0.454 nan 8.380 nan 0.000 0.430 537 G N -0.395 108.365 108.800 -0.068 0.000 2.572 537 G HA2 0.043 4.006 3.960 0.004 0.000 0.216 537 G HA3 0.043 4.006 3.960 0.004 0.000 0.216 537 G C 1.336 176.171 174.900 -0.108 0.000 1.133 537 G CA 0.682 45.740 45.100 -0.070 0.000 0.791 537 G HN 0.388 nan 8.290 nan 0.000 0.538 538 A N -0.575 122.140 122.820 -0.175 0.000 2.178 538 A HA 0.283 4.605 4.320 0.004 0.000 0.211 538 A C 1.356 178.796 177.584 -0.240 0.000 1.157 538 A CA 0.195 52.115 52.037 -0.195 0.000 0.780 538 A CB 0.052 18.923 19.000 -0.216 0.000 0.828 538 A HN 0.287 nan 8.150 nan 0.000 0.476 539 Q N 0.620 120.246 119.800 -0.290 0.000 2.312 539 Q HA 0.362 4.704 4.340 0.004 0.000 0.236 539 Q C -0.343 175.572 176.000 -0.141 0.000 0.965 539 Q CA 0.041 55.689 55.803 -0.258 0.000 0.894 539 Q CB 0.700 29.271 28.738 -0.278 0.000 1.225 539 Q HN 0.235 nan 8.270 nan 0.000 0.478 540 R N -0.607 119.828 120.500 -0.108 0.000 2.732 540 R HA 0.482 4.825 4.340 0.004 0.000 0.278 540 R C 0.548 176.825 176.300 -0.038 0.000 0.976 540 R CA -0.084 55.979 56.100 -0.062 0.000 0.963 540 R CB 1.250 31.520 30.300 -0.050 0.000 1.150 540 R HN 0.905 nan 8.270 nan 0.000 0.478 541 G N 0.223 109.009 108.800 -0.022 0.000 2.179 541 G HA2 -0.270 3.692 3.960 0.004 0.000 0.257 541 G HA3 -0.270 3.692 3.960 0.004 0.000 0.257 541 G C 0.818 175.725 174.900 0.012 0.000 1.010 541 G CA 0.981 46.080 45.100 -0.003 0.000 0.736 541 G HN 1.191 nan 8.290 nan 0.000 0.513 542 G N -0.959 107.841 108.800 0.001 0.000 2.225 542 G HA2 -0.281 3.682 3.960 0.004 0.000 0.254 542 G HA3 -0.281 3.682 3.960 0.004 0.000 0.254 542 G C 0.489 175.399 174.900 0.017 0.000 0.988 542 G CA 1.237 46.348 45.100 0.018 0.000 0.625 542 G HN 1.394 nan 8.290 nan 0.000 0.527 543 K N 1.405 121.818 120.400 0.022 0.000 2.489 543 K HA 0.369 4.692 4.320 0.004 0.000 0.278 543 K C 0.563 177.141 176.600 -0.037 0.000 1.000 543 K CA 0.833 57.151 56.287 0.053 0.000 1.012 543 K CB 0.021 32.564 32.500 0.071 0.000 0.903 543 K HN 0.693 nan 8.250 nan 0.000 0.485 544 Q N 0.985 120.716 119.800 -0.116 0.000 2.522 544 Q HA 0.439 4.781 4.340 0.004 0.000 0.285 544 Q C -1.701 174.294 176.000 -0.010 0.000 0.982 544 Q CA -1.137 54.602 55.803 -0.105 0.000 0.805 544 Q CB 1.725 30.257 28.738 -0.344 0.000 1.457 544 Q HN 0.318 nan 8.270 nan 0.000 0.394 545 V N 1.466 121.443 119.914 0.104 0.000 2.483 545 V HA 0.570 4.692 4.120 0.004 0.000 0.295 545 V C -0.253 175.862 176.094 0.035 0.000 1.035 545 V CA -0.108 62.222 62.300 0.050 0.000 0.896 545 V CB 1.879 33.630 31.823 -0.120 0.000 0.986 545 V HN 0.961 nan 8.190 nan 0.000 0.447 546 S N 5.641 121.388 115.700 0.078 0.000 2.603 546 S HA 0.219 4.691 4.470 0.004 0.000 0.268 546 S C 0.825 175.443 174.600 0.029 0.000 1.317 546 S CA -0.233 58.005 58.200 0.063 0.000 1.012 546 S CB 1.287 64.540 63.200 0.089 0.000 0.926 546 S HN 0.829 nan 8.310 nan 0.000 0.539 547 L N 1.826 123.060 121.223 0.017 0.000 2.141 547 L HA 0.100 4.442 4.340 0.004 0.000 0.209 547 L C 2.576 179.451 176.870 0.009 0.000 1.094 547 L CA 2.075 56.917 54.840 0.003 0.000 0.763 547 L CB -1.382 40.676 42.059 -0.002 0.000 0.908 547 L HN 0.959 nan 8.230 nan 0.000 0.437 548 A N -0.746 122.084 122.820 0.017 0.000 1.883 548 A HA -0.250 4.072 4.320 0.004 0.000 0.217 548 A C 2.042 179.656 177.584 0.049 0.000 1.186 548 A CA 2.063 54.111 52.037 0.018 0.000 0.624 548 A CB -0.814 18.193 19.000 0.011 0.000 0.822 548 A HN 0.488 nan 8.150 nan 0.000 0.444 549 D N -0.647 119.803 120.400 0.083 0.000 2.117 549 D HA -0.110 4.532 4.640 0.004 0.000 0.197 549 D C 1.840 178.199 176.300 0.098 0.000 0.987 549 D CA 1.176 55.293 54.000 0.195 0.000 0.829 549 D CB -0.385 40.568 40.800 0.255 0.000 0.961 549 D HN 0.309 nan 8.370 nan 0.000 0.460 550 L N 0.868 122.087 121.223 -0.007 0.000 2.083 550 L HA -0.085 4.257 4.340 0.004 0.000 0.209 550 L C 2.095 178.928 176.870 -0.061 0.000 1.083 550 L CA 1.146 55.931 54.840 -0.091 0.000 0.752 550 L CB -0.474 41.529 42.059 -0.093 0.000 0.899 550 L HN 0.010 nan 8.230 nan 0.000 0.433 551 I N -1.757 118.807 120.570 -0.010 0.000 2.127 551 I HA -0.338 3.834 4.170 0.004 0.000 0.241 551 I C 2.329 178.472 176.117 0.044 0.000 1.075 551 I CA 1.536 62.844 61.300 0.014 0.000 1.334 551 I CB -0.478 37.530 38.000 0.013 0.000 1.040 551 I HN 0.058 nan 8.210 nan 0.000 0.405 552 V N 0.525 120.481 119.914 0.070 0.000 2.343 552 V HA -0.267 3.856 4.120 0.004 0.000 0.247 552 V C 2.352 178.510 176.094 0.107 0.000 1.051 552 V CA 1.701 64.080 62.300 0.132 0.000 1.036 552 V CB -0.548 31.397 31.823 0.203 0.000 0.654 552 V HN 0.375 nan 8.190 nan 0.000 0.451 553 L N 0.800 121.933 121.223 -0.150 0.000 2.131 553 L HA -0.048 4.295 4.340 0.004 0.000 0.210 553 L C 2.346 179.087 176.870 -0.214 0.000 1.092 553 L CA 2.239 56.768 54.840 -0.519 0.000 0.759 553 L CB -0.784 40.698 42.059 -0.961 0.000 0.903 553 L HN 0.219 nan 8.230 nan 0.000 0.435 554 A N -0.821 121.933 122.820 -0.110 0.000 1.968 554 A HA 0.059 4.381 4.320 0.004 0.000 0.217 554 A C 2.297 179.906 177.584 0.041 0.000 1.169 554 A CA 1.103 53.113 52.037 -0.045 0.000 0.638 554 A CB -1.306 17.676 19.000 -0.031 0.000 0.812 554 A HN 0.495 nan 8.150 nan 0.000 0.446 555 G N -0.840 108.049 108.800 0.147 0.000 2.408 555 G HA2 -0.215 3.748 3.960 0.004 0.000 0.217 555 G HA3 -0.215 3.748 3.960 0.004 0.000 0.217 555 G C 1.534 176.586 174.900 0.253 0.000 1.150 555 G CA 1.274 46.556 45.100 0.303 0.000 0.776 555 G HN 0.504 nan 8.290 nan 0.000 0.542 556 C N 0.958 120.427 119.300 0.282 0.000 2.429 556 C HA 0.158 4.621 4.460 0.004 0.000 0.277 556 C C 3.527 178.526 174.990 0.015 0.000 1.262 556 C CA 0.836 59.974 59.018 0.199 0.000 1.733 556 C CB -0.910 26.946 27.740 0.193 0.000 2.010 556 C HN 0.559 nan 8.230 nan 0.000 0.483 557 A N 0.791 123.601 122.820 -0.017 0.000 1.933 557 A HA 0.077 4.399 4.320 0.004 0.000 0.218 557 A C 2.392 179.944 177.584 -0.053 0.000 1.175 557 A CA 1.996 54.007 52.037 -0.044 0.000 0.628 557 A CB -1.158 17.807 19.000 -0.058 0.000 0.814 557 A HN 0.553 nan 8.150 nan 0.000 0.444 558 G N -0.532 108.236 108.800 -0.054 0.000 2.440 558 G HA2 -0.135 3.827 3.960 0.004 0.000 0.218 558 G HA3 -0.135 3.827 3.960 0.004 0.000 0.218 558 G C 1.491 176.300 174.900 -0.153 0.000 1.154 558 G CA 1.292 46.340 45.100 -0.086 0.000 0.767 558 G HN 0.323 nan 8.290 nan 0.000 0.552 559 V N 0.595 120.370 119.914 -0.232 0.000 2.453 559 V HA -0.124 3.998 4.120 0.004 0.000 0.247 559 V C 2.648 178.650 176.094 -0.154 0.000 1.048 559 V CA 2.015 64.143 62.300 -0.287 0.000 1.049 559 V CB -0.405 31.145 31.823 -0.454 0.000 0.672 559 V HN 0.462 nan 8.190 nan 0.000 0.457 560 E N -0.124 120.018 120.200 -0.095 0.000 2.077 560 E HA -0.319 4.034 4.350 0.004 0.000 0.193 560 E C 2.249 178.823 176.600 -0.043 0.000 0.989 560 E CA 1.570 57.942 56.400 -0.048 0.000 0.800 560 E CB -0.132 29.553 29.700 -0.026 0.000 0.746 560 E HN 0.537 nan 8.360 nan 0.000 0.452 561 Q N 0.860 120.628 119.800 -0.052 0.000 2.119 561 Q HA -0.108 4.235 4.340 0.004 0.000 0.201 561 Q C 1.898 177.869 176.000 -0.048 0.000 0.972 561 Q CA 1.747 57.526 55.803 -0.041 0.000 0.847 561 Q CB -0.260 28.453 28.738 -0.042 0.000 0.903 561 Q HN 0.232 nan 8.270 nan 0.000 0.433 562 A N 0.201 122.971 122.820 -0.083 0.000 1.933 562 A HA 0.001 4.324 4.320 0.004 0.000 0.218 562 A C 2.271 179.816 177.584 -0.065 0.000 1.175 562 A CA 1.690 53.671 52.037 -0.093 0.000 0.628 562 A CB -1.061 17.842 19.000 -0.162 0.000 0.814 562 A HN 0.526 nan 8.150 nan 0.000 0.444 563 A N -0.202 122.582 122.820 -0.060 0.000 1.930 563 A HA -0.126 4.197 4.320 0.004 0.000 0.217 563 A C 2.111 179.729 177.584 0.057 0.000 1.175 563 A CA 1.857 53.887 52.037 -0.010 0.000 0.627 563 A CB -0.433 18.561 19.000 -0.010 0.000 0.815 563 A HN 0.543 nan 8.150 nan 0.000 0.443 564 K N -0.120 120.298 120.400 0.030 0.000 2.063 564 K HA -0.215 4.107 4.320 0.004 0.000 0.208 564 K C 1.534 178.154 176.600 0.033 0.000 1.048 564 K CA 1.664 57.972 56.287 0.035 0.000 0.928 564 K CB -0.235 32.273 32.500 0.013 0.000 0.713 564 K HN 0.411 nan 8.250 nan 0.000 0.442 565 N N 0.560 119.269 118.700 0.016 0.000 2.258 565 N HA -0.165 4.578 4.740 0.004 0.000 0.187 565 N C 1.215 176.746 175.510 0.035 0.000 1.012 565 N CA 1.390 54.448 53.050 0.014 0.000 0.870 565 N CB -0.224 38.259 38.487 -0.007 0.000 0.977 565 N HN 0.303 nan 8.380 nan 0.000 0.434 566 A N -0.617 122.243 122.820 0.067 0.000 2.275 566 A HA 0.484 4.807 4.320 0.004 0.000 0.212 566 A C 1.419 179.112 177.584 0.183 0.000 1.201 566 A CA 0.571 52.685 52.037 0.128 0.000 0.843 566 A CB -0.223 18.864 19.000 0.145 0.000 0.873 566 A HN 0.286 nan 8.150 nan 0.000 0.492 567 G N -0.999 107.864 108.800 0.104 0.000 2.143 567 G HA2 -0.209 3.754 3.960 0.004 0.000 0.249 567 G HA3 -0.209 3.754 3.960 0.004 0.000 0.249 567 G C -0.005 174.871 174.900 -0.039 0.000 0.981 567 G CA 0.315 45.428 45.100 0.021 0.000 0.665 567 G HN 0.694 nan 8.290 nan 0.000 0.528 568 H N -0.166 118.914 119.070 0.016 0.000 2.499 568 H HA 0.635 5.194 4.556 0.004 0.000 0.340 568 H C 0.143 175.479 175.328 0.013 0.000 1.148 568 H CA 0.082 56.143 56.048 0.021 0.000 1.215 568 H CB 1.994 31.775 29.762 0.030 0.000 1.529 568 H HN 0.465 nan 8.280 nan 0.000 0.510 569 A N 3.452 126.341 122.820 0.116 0.000 2.273 569 A HA 0.494 4.817 4.320 0.004 0.000 0.320 569 A C -0.615 177.014 177.584 0.076 0.000 1.358 569 A CA -0.495 51.583 52.037 0.069 0.000 0.910 569 A CB 0.092 19.115 19.000 0.038 0.000 1.159 569 A HN 0.357 nan 8.150 nan 0.000 0.526 570 V N 1.883 121.834 119.914 0.062 0.000 2.638 570 V HA 0.547 4.669 4.120 0.004 0.000 0.306 570 V C 0.172 176.288 176.094 0.036 0.000 1.052 570 V CA -0.435 61.896 62.300 0.052 0.000 0.885 570 V CB 2.121 33.970 31.823 0.043 0.000 0.999 570 V HN 0.844 nan 8.190 nan 0.000 0.424 571 T N 4.342 118.919 114.554 0.039 0.000 2.767 571 T HA 0.624 4.977 4.350 0.004 0.000 0.284 571 T C -0.711 174.021 174.700 0.052 0.000 0.973 571 T CA -0.258 61.866 62.100 0.041 0.000 0.996 571 T CB 1.067 69.959 68.868 0.041 0.000 0.927 571 T HN 0.390 nan 8.240 nan 0.000 0.456 572 V N 8.624 128.577 119.914 0.065 0.000 2.427 572 V HA 0.407 4.529 4.120 0.004 0.000 0.286 572 V C -1.886 174.289 176.094 0.135 0.000 1.034 572 V CA -1.792 60.570 62.300 0.102 0.000 0.893 572 V CB 1.241 33.135 31.823 0.118 0.000 0.982 572 V HN 0.818 nan 8.190 nan 0.000 0.452 573 P HA 0.227 nan 4.420 nan 0.000 0.269 573 P C -1.072 176.351 177.300 0.205 0.000 1.209 573 P CA 0.091 63.260 63.100 0.116 0.000 0.776 573 P CB 0.241 31.973 31.700 0.052 0.000 0.876 574 F N 1.471 121.424 119.950 0.005 0.000 2.588 574 F HA 0.631 5.160 4.527 0.003 0.000 0.314 574 F C -1.534 174.249 175.800 -0.027 0.000 1.134 574 F CA -0.892 57.104 58.000 -0.007 0.000 0.961 574 F CB 1.468 40.470 39.000 0.004 0.000 1.239 574 F HN 0.381 nan 8.300 nan 0.000 0.448 575 A N 7.931 130.103 122.820 -1.080 0.000 2.291 575 A HA 0.778 5.100 4.320 0.004 0.000 0.311 575 A C -2.851 174.052 177.584 -1.135 0.000 1.224 575 A CA -1.648 49.898 52.037 -0.819 0.000 0.821 575 A CB 0.625 19.356 19.000 -0.447 0.000 1.172 575 A HN 0.495 nan 8.150 nan 0.000 0.494 576 P HA 0.521 nan 4.420 nan 0.000 0.279 576 P C 0.695 177.876 177.300 -0.198 0.000 1.282 576 P CA 0.806 63.711 63.100 -0.326 0.000 0.788 576 P CB 1.128 32.850 31.700 0.037 0.000 1.139 577 G N -1.053 107.701 108.800 -0.076 0.000 2.273 577 G HA2 -0.130 3.833 3.960 0.004 0.000 0.162 577 G HA3 -0.130 3.833 3.960 0.004 0.000 0.162 577 G C 0.175 175.039 174.900 -0.061 0.000 1.006 577 G CA -0.538 44.517 45.100 -0.075 0.000 0.704 577 G HN 0.510 nan 8.290 nan 0.000 0.487 578 R N 0.648 121.123 120.500 -0.042 0.000 2.641 578 R HA 0.658 5.001 4.340 0.004 0.000 0.269 578 R C 0.508 176.815 176.300 0.011 0.000 1.074 578 R CA 0.649 56.734 56.100 -0.026 0.000 1.133 578 R CB 0.941 31.231 30.300 -0.016 0.000 1.029 578 R HN 0.495 nan 8.270 nan 0.000 0.488 579 A N 1.341 124.164 122.820 0.004 0.000 2.387 579 A HA 0.431 4.753 4.320 0.004 0.000 0.303 579 A C -1.239 176.356 177.584 0.018 0.000 1.145 579 A CA -0.892 51.160 52.037 0.026 0.000 0.801 579 A CB 1.228 20.233 19.000 0.009 0.000 1.342 579 A HN 0.600 nan 8.150 nan 0.000 0.440 580 D N 1.030 121.446 120.400 0.026 0.000 2.280 580 D HA 0.540 5.183 4.640 0.004 0.000 0.236 580 D C 0.073 176.375 176.300 0.002 0.000 1.082 580 D CA 0.300 54.307 54.000 0.011 0.000 0.834 580 D CB 1.689 42.497 40.800 0.014 0.000 1.100 580 D HN 0.709 nan 8.370 nan 0.000 0.486 581 A N 1.895 124.711 122.820 -0.008 0.000 2.322 581 A HA 0.541 4.863 4.320 0.004 0.000 0.269 581 A C 0.679 178.255 177.584 -0.013 0.000 1.094 581 A CA -0.515 51.514 52.037 -0.012 0.000 0.807 581 A CB 0.483 19.474 19.000 -0.017 0.000 1.047 581 A HN 0.524 nan 8.150 nan 0.000 0.487 582 S N 0.243 115.936 115.700 -0.011 0.000 2.669 582 S HA 0.262 4.734 4.470 0.004 0.000 0.270 582 S C 0.848 175.440 174.600 -0.013 0.000 1.225 582 S CA 0.128 58.322 58.200 -0.010 0.000 0.991 582 S CB 1.009 64.206 63.200 -0.006 0.000 0.987 582 S HN 0.743 nan 8.310 nan 0.000 0.552 583 Q N 0.482 120.274 119.800 -0.013 0.000 2.170 583 Q HA -0.098 4.244 4.340 0.004 0.000 0.203 583 Q C 1.508 177.507 176.000 -0.002 0.000 0.976 583 Q CA 1.951 57.746 55.803 -0.013 0.000 0.858 583 Q CB -0.503 28.228 28.738 -0.012 0.000 0.907 583 Q HN 0.858 nan 8.270 nan 0.000 0.433 584 E N -0.193 120.007 120.200 0.001 0.000 2.347 584 E HA -0.109 4.244 4.350 0.004 0.000 0.196 584 E C 1.208 177.812 176.600 0.007 0.000 1.008 584 E CA 0.779 57.183 56.400 0.007 0.000 0.852 584 E CB 0.069 29.773 29.700 0.008 0.000 0.783 584 E HN 0.478 nan 8.360 nan 0.000 0.505 585 Q N -0.306 119.493 119.800 -0.001 0.000 2.365 585 Q HA 0.109 4.452 4.340 0.004 0.000 0.203 585 Q C -0.373 175.627 176.000 0.000 0.000 0.929 585 Q CA 0.411 56.210 55.803 -0.006 0.000 0.948 585 Q CB 0.718 29.447 28.738 -0.015 0.000 1.043 585 Q HN -0.008 nan 8.270 nan 0.000 0.505 586 T N 1.005 115.564 114.554 0.007 0.000 2.991 586 T HA 0.057 4.410 4.350 0.004 0.000 0.347 586 T C -1.059 173.659 174.700 0.030 0.000 1.122 586 T CA -0.734 61.373 62.100 0.013 0.000 1.062 586 T CB 0.940 69.803 68.868 -0.009 0.000 1.043 586 T HN 0.017 nan 8.240 nan 0.000 0.491 587 D N 3.179 123.612 120.400 0.055 0.000 2.346 587 D HA 0.057 4.700 4.640 0.004 0.000 0.260 587 D C 1.187 177.535 176.300 0.079 0.000 1.252 587 D CA -0.236 53.809 54.000 0.075 0.000 0.895 587 D CB 0.996 41.859 40.800 0.105 0.000 1.097 587 D HN 0.185 nan 8.370 nan 0.000 0.489 588 V N 4.527 124.482 119.914 0.068 0.000 2.515 588 V HA -0.155 3.967 4.120 0.004 0.000 0.250 588 V C 2.163 178.322 176.094 0.109 0.000 1.058 588 V CA 1.284 63.629 62.300 0.074 0.000 1.064 588 V CB -0.277 31.579 31.823 0.056 0.000 0.675 588 V HN 0.545 nan 8.190 nan 0.000 0.461 589 E N -0.189 120.073 120.200 0.103 0.000 2.072 589 E HA -0.148 4.205 4.350 0.004 0.000 0.190 589 E C 2.449 179.121 176.600 0.121 0.000 0.982 589 E CA 1.466 57.931 56.400 0.109 0.000 0.803 589 E CB -0.499 29.258 29.700 0.095 0.000 0.755 589 E HN 0.534 nan 8.360 nan 0.000 0.453 590 S N 0.504 116.280 115.700 0.126 0.000 2.402 590 S HA -0.123 4.349 4.470 0.004 0.000 0.229 590 S C 1.871 176.561 174.600 0.150 0.000 1.021 590 S CA 0.911 59.192 58.200 0.136 0.000 0.974 590 S CB -0.052 63.240 63.200 0.154 0.000 0.800 590 S HN 0.082 nan 8.310 nan 0.000 0.484 591 M N 1.815 121.513 119.600 0.164 0.000 2.374 591 M HA 0.246 4.728 4.480 0.004 0.000 0.264 591 M C 1.828 178.337 176.300 0.349 0.000 1.067 591 M CA 1.158 56.593 55.300 0.225 0.000 1.103 591 M CB -0.853 31.848 32.600 0.167 0.000 1.402 591 M HN 0.330 nan 8.290 nan 0.000 0.444 592 A N -0.366 122.617 122.820 0.272 0.000 1.948 592 A HA -0.149 4.174 4.320 0.004 0.000 0.220 592 A C 2.058 179.690 177.584 0.081 0.000 1.177 592 A CA 2.131 54.308 52.037 0.233 0.000 0.636 592 A CB -1.618 17.476 19.000 0.157 0.000 0.815 592 A HN 0.661 nan 8.150 nan 0.000 0.449 593 V N -2.548 117.406 119.914 0.066 0.000 3.141 593 V HA 0.000 4.123 4.120 0.004 0.000 0.265 593 V C 1.784 177.848 176.094 -0.049 0.000 1.126 593 V CA 1.488 63.778 62.300 -0.016 0.000 1.141 593 V CB -0.820 30.995 31.823 -0.013 0.000 0.743 593 V HN 0.453 nan 8.190 nan 0.000 0.492 594 L N 0.370 121.609 121.223 0.027 0.000 2.591 594 L HA 0.236 4.578 4.340 0.004 0.000 0.228 594 L C 1.333 178.011 176.870 -0.320 0.000 1.133 594 L CA 0.266 55.109 54.840 0.005 0.000 0.880 594 L CB -0.271 41.928 42.059 0.232 0.000 1.033 594 L HN 0.455 nan 8.230 nan 0.000 0.450 595 E N 3.342 123.087 120.200 -0.758 0.000 2.417 595 E HA 0.032 4.385 4.350 0.004 0.000 0.261 595 E C -2.076 174.116 176.600 -0.680 0.000 1.000 595 E CA -1.631 53.820 56.400 -1.581 0.000 0.919 595 E CB 0.710 29.485 29.700 -1.541 0.000 0.955 595 E HN -0.025 nan 8.360 nan 0.000 0.455 596 P HA -0.016 nan 4.420 nan 0.000 0.281 596 P C 0.471 177.782 177.300 0.019 0.000 1.286 596 P CA -0.078 62.951 63.100 -0.120 0.000 0.772 596 P CB 1.222 32.933 31.700 0.019 0.000 0.862 597 V N 0.887 120.805 119.914 0.006 0.000 3.590 597 V HA 0.510 4.632 4.120 0.004 0.000 0.265 597 V C 0.588 176.762 176.094 0.133 0.000 1.239 597 V CA 0.578 62.949 62.300 0.118 0.000 1.117 597 V CB -0.477 31.360 31.823 0.023 0.000 0.818 597 V HN 0.518 nan 8.190 nan 0.000 0.451 598 A N 0.557 123.439 122.820 0.103 0.000 2.398 598 A HA 0.741 5.063 4.320 0.004 0.000 0.301 598 A C -1.534 176.177 177.584 0.213 0.000 1.041 598 A CA -0.158 51.950 52.037 0.118 0.000 0.711 598 A CB 1.682 20.693 19.000 0.018 0.000 1.240 598 A HN 0.294 nan 8.150 nan 0.000 0.420 599 D N 2.110 122.698 120.400 0.314 0.000 2.336 599 D HA 0.380 5.022 4.640 0.004 0.000 0.248 599 D C 1.192 177.648 176.300 0.260 0.000 1.326 599 D CA 0.368 54.577 54.000 0.348 0.000 0.973 599 D CB 0.989 42.063 40.800 0.458 0.000 1.255 599 D HN 0.534 nan 8.370 nan 0.000 0.558 600 G N 1.581 110.423 108.800 0.069 0.000 2.475 600 G HA2 -0.269 3.693 3.960 0.004 0.000 0.220 600 G HA3 -0.269 3.693 3.960 0.004 0.000 0.220 600 G C 1.220 176.015 174.900 -0.175 0.000 1.125 600 G CA 0.505 45.537 45.100 -0.113 0.000 0.755 600 G HN 0.511 nan 8.290 nan 0.000 0.565 601 F N 0.001 119.989 119.950 0.063 0.000 2.451 601 F HA 0.167 4.696 4.527 0.003 0.000 0.299 601 F C 2.541 178.212 175.800 -0.215 0.000 1.101 601 F CA 0.671 58.578 58.000 -0.155 0.000 1.436 601 F CB 0.256 39.093 39.000 -0.272 0.000 1.074 601 F HN -0.003 nan 8.300 nan 0.000 0.553 602 R N -0.210 120.378 120.500 0.146 0.000 2.577 602 R HA 0.099 4.442 4.340 0.004 0.000 0.344 602 R C 0.031 176.412 176.300 0.137 0.000 1.037 602 R CA -0.207 55.956 56.100 0.104 0.000 1.102 602 R CB -0.088 30.341 30.300 0.215 0.000 1.313 602 R HN -0.051 nan 8.270 nan 0.000 0.561 603 N N 1.154 119.913 118.700 0.099 0.000 2.716 603 N HA -0.281 4.462 4.740 0.004 0.000 0.250 603 N C -1.520 174.113 175.510 0.205 0.000 1.033 603 N CA 0.937 54.056 53.050 0.114 0.000 0.727 603 N CB -0.910 37.633 38.487 0.094 0.000 0.950 603 N HN 0.345 nan 8.380 nan 0.000 0.541 604 Y N 0.115 120.470 120.300 0.091 0.000 2.352 604 Y HA 0.659 5.212 4.550 0.006 0.000 0.339 604 Y C -0.579 175.386 175.900 0.108 0.000 0.992 604 Y CA -0.844 57.319 58.100 0.104 0.000 1.100 604 Y CB 0.932 39.467 38.460 0.125 0.000 1.192 604 Y HN 0.117 nan 8.280 nan 0.000 0.458 605 L N 7.164 128.033 121.223 -0.589 0.000 2.409 605 L HA 0.418 4.760 4.340 0.004 0.000 0.272 605 L C 0.733 177.156 176.870 -0.746 0.000 0.980 605 L CA -0.656 53.874 54.840 -0.516 0.000 0.826 605 L CB 2.221 44.166 42.059 -0.190 0.000 1.268 605 L HN 0.666 nan 8.230 nan 0.000 0.407 606 K N 1.560 121.622 120.400 -0.563 0.000 2.155 606 K HA 0.134 4.457 4.320 0.004 0.000 0.203 606 K C 0.656 177.123 176.600 -0.222 0.000 1.052 606 K CA 1.081 57.180 56.287 -0.314 0.000 0.948 606 K CB 0.347 32.874 32.500 0.045 0.000 0.728 606 K HN 0.840 nan 8.250 nan 0.000 0.448 607 G N -0.194 108.356 108.800 -0.415 0.000 2.870 607 G HA2 0.300 4.262 3.960 0.004 0.000 0.299 607 G HA3 0.300 4.262 3.960 0.004 0.000 0.299 607 G C -1.626 172.749 174.900 -0.874 0.000 1.324 607 G CA -0.810 43.958 45.100 -0.554 0.000 0.808 607 G HN -0.067 nan 8.290 nan 0.000 0.535 608 K N 0.490 120.498 120.400 -0.654 0.000 2.227 608 K HA 0.462 4.784 4.320 0.004 0.000 0.280 608 K C -1.438 174.819 176.600 -0.571 0.000 1.041 608 K CA -0.204 55.780 56.287 -0.504 0.000 0.905 608 K CB 1.348 33.704 32.500 -0.241 0.000 1.068 608 K HN 0.548 nan 8.250 nan 0.000 0.470 609 Y N 0.550 120.817 120.300 -0.055 0.000 2.598 609 Y HA 0.290 4.842 4.550 0.003 0.000 0.340 609 Y C 1.689 177.558 175.900 -0.052 0.000 1.038 609 Y CA -1.146 56.919 58.100 -0.057 0.000 1.100 609 Y CB 1.715 40.132 38.460 -0.072 0.000 1.281 609 Y HN 0.462 nan 8.280 nan 0.000 0.488 610 R N -0.245 120.336 120.500 0.134 0.000 2.200 610 R HA 0.112 4.454 4.340 0.004 0.000 0.208 610 R C -0.535 175.779 176.300 0.023 0.000 1.033 610 R CA 0.523 56.651 56.100 0.048 0.000 1.000 610 R CB -0.466 29.848 30.300 0.023 0.000 0.906 610 R HN 0.329 nan 8.270 nan 0.000 0.462 611 V N 4.364 124.293 119.914 0.024 0.000 2.498 611 V HA 0.233 4.356 4.120 0.004 0.000 0.279 611 V C -2.067 174.031 176.094 0.006 0.000 1.048 611 V CA -1.952 60.329 62.300 -0.032 0.000 0.967 611 V CB 1.301 33.059 31.823 -0.108 0.000 0.988 611 V HN 0.179 nan 8.190 nan 0.000 0.473 612 P HA 0.174 nan 4.420 nan 0.000 0.271 612 P C 0.566 177.864 177.300 -0.003 0.000 1.216 612 P CA -0.139 62.964 63.100 0.005 0.000 0.776 612 P CB 0.845 32.545 31.700 0.000 0.000 0.881 613 A N 3.515 126.344 122.820 0.014 0.000 1.978 613 A HA -0.207 4.115 4.320 0.004 0.000 0.220 613 A C 1.845 179.407 177.584 -0.037 0.000 1.170 613 A CA 1.561 53.603 52.037 0.008 0.000 0.636 613 A CB -0.918 18.095 19.000 0.022 0.000 0.810 613 A HN 0.686 nan 8.150 nan 0.000 0.448 614 E N 0.326 120.492 120.200 -0.056 0.000 2.204 614 E HA -0.098 4.254 4.350 0.004 0.000 0.194 614 E C 1.803 178.333 176.600 -0.117 0.000 0.989 614 E CA 1.471 57.805 56.400 -0.111 0.000 0.824 614 E CB -0.906 28.705 29.700 -0.147 0.000 0.756 614 E HN 0.342 nan 8.360 nan 0.000 0.477 615 V N 1.906 121.766 119.914 -0.090 0.000 2.407 615 V HA -0.218 3.904 4.120 0.004 0.000 0.248 615 V C 2.625 178.661 176.094 -0.096 0.000 1.055 615 V CA 1.383 63.626 62.300 -0.095 0.000 1.049 615 V CB -0.556 31.214 31.823 -0.088 0.000 0.662 615 V HN 0.206 nan 8.190 nan 0.000 0.455 616 L N -0.768 120.404 121.223 -0.085 0.000 2.141 616 L HA -0.136 4.207 4.340 0.004 0.000 0.209 616 L C 2.419 179.253 176.870 -0.060 0.000 1.094 616 L CA 0.950 55.741 54.840 -0.081 0.000 0.763 616 L CB -0.561 41.455 42.059 -0.071 0.000 0.908 616 L HN 0.350 nan 8.230 nan 0.000 0.437 617 L N -0.275 120.899 121.223 -0.081 0.000 1.994 617 L HA -0.157 4.186 4.340 0.004 0.000 0.208 617 L C 2.403 179.232 176.870 -0.068 0.000 1.071 617 L CA 1.710 56.478 54.840 -0.119 0.000 0.745 617 L CB -0.447 41.504 42.059 -0.181 0.000 0.892 617 L HN -0.104 nan 8.230 nan 0.000 0.431 618 V N 0.202 120.066 119.914 -0.083 0.000 2.332 618 V HA -0.336 3.786 4.120 0.004 0.000 0.248 618 V C 2.362 178.439 176.094 -0.029 0.000 1.055 618 V CA 2.028 64.292 62.300 -0.060 0.000 1.038 618 V CB -0.871 30.887 31.823 -0.109 0.000 0.651 618 V HN 0.647 nan 8.190 nan 0.000 0.450 619 D N 0.158 120.530 120.400 -0.046 0.000 2.106 619 D HA -0.267 4.376 4.640 0.004 0.000 0.191 619 D C 2.123 178.427 176.300 0.006 0.000 0.997 619 D CA 1.819 55.792 54.000 -0.044 0.000 0.834 619 D CB -0.140 40.614 40.800 -0.078 0.000 0.956 619 D HN 0.289 nan 8.370 nan 0.000 0.448 620 K N 0.402 120.837 120.400 0.059 0.000 2.026 620 K HA -0.030 4.292 4.320 0.004 0.000 0.208 620 K C 1.899 178.640 176.600 0.236 0.000 1.048 620 K CA 1.661 58.042 56.287 0.157 0.000 0.929 620 K CB -0.851 31.798 32.500 0.249 0.000 0.713 620 K HN 0.157 nan 8.250 nan 0.000 0.439 621 A N 0.845 123.837 122.820 0.287 0.000 1.917 621 A HA -0.242 4.080 4.320 0.004 0.000 0.219 621 A C 2.249 179.910 177.584 0.129 0.000 1.182 621 A CA 1.872 54.086 52.037 0.295 0.000 0.633 621 A CB -0.727 18.442 19.000 0.282 0.000 0.819 621 A HN 0.520 nan 8.150 nan 0.000 0.448 622 Q N -0.199 119.633 119.800 0.053 0.000 2.084 622 Q HA -0.106 4.236 4.340 0.004 0.000 0.202 622 Q C 2.077 178.078 176.000 0.002 0.000 0.978 622 Q CA 1.523 57.321 55.803 -0.008 0.000 0.844 622 Q CB -0.279 28.428 28.738 -0.052 0.000 0.898 622 Q HN 0.726 nan 8.270 nan 0.000 0.426 623 L N 0.230 121.463 121.223 0.017 0.000 2.093 623 L HA -0.144 4.198 4.340 0.004 0.000 0.208 623 L C 2.296 179.207 176.870 0.068 0.000 1.085 623 L CA 0.640 55.482 54.840 0.004 0.000 0.755 623 L CB -0.276 41.774 42.059 -0.015 0.000 0.904 623 L HN 0.184 nan 8.230 nan 0.000 0.435 624 L N -0.194 121.090 121.223 0.101 0.000 2.610 624 L HA -0.045 4.298 4.340 0.004 0.000 0.232 624 L C 1.251 178.182 176.870 0.103 0.000 1.149 624 L CA 0.818 55.731 54.840 0.121 0.000 0.872 624 L CB -0.755 41.329 42.059 0.043 0.000 0.992 624 L HN 0.580 nan 8.230 nan 0.000 0.447 625 T N -3.617 110.988 114.554 0.086 0.000 4.886 625 T HA -0.226 4.127 4.350 0.004 0.000 0.295 625 T C 0.031 174.755 174.700 0.040 0.000 1.495 625 T CA 0.459 62.593 62.100 0.057 0.000 2.670 625 T CB -2.623 66.299 68.868 0.089 0.000 1.686 625 T HN 0.196 nan 8.240 nan 0.000 0.981 626 L N 2.161 123.416 121.223 0.054 0.000 2.350 626 L HA 0.632 4.974 4.340 0.004 0.000 0.275 626 L C 1.412 178.334 176.870 0.087 0.000 1.099 626 L CA -0.435 54.448 54.840 0.072 0.000 0.808 626 L CB 1.299 43.425 42.059 0.111 0.000 1.149 626 L HN 0.561 nan 8.230 nan 0.000 0.442 627 S N 1.630 117.408 115.700 0.130 0.000 2.641 627 S HA 0.368 4.840 4.470 0.004 0.000 0.261 627 S C 1.082 175.842 174.600 0.267 0.000 1.257 627 S CA -0.137 58.201 58.200 0.231 0.000 0.983 627 S CB 1.381 64.758 63.200 0.294 0.000 0.990 627 S HN 0.682 nan 8.310 nan 0.000 0.572 628 A N 0.737 123.840 122.820 0.472 0.000 1.898 628 A HA 0.130 4.452 4.320 0.004 0.000 0.216 628 A C -0.408 177.359 177.584 0.304 0.000 1.181 628 A CA 1.271 53.506 52.037 0.330 0.000 0.620 628 A CB -2.126 17.102 19.000 0.380 0.000 0.819 628 A HN 0.715 nan 8.150 nan 0.000 0.442 629 P HA -0.137 nan 4.420 nan 0.000 0.216 629 P C 1.171 178.594 177.300 0.205 0.000 1.150 629 P CA 1.403 64.661 63.100 0.264 0.000 0.837 629 P CB -0.029 31.804 31.700 0.221 0.000 0.786 630 E N -0.971 119.331 120.200 0.171 0.000 2.072 630 E HA -0.170 4.182 4.350 0.004 0.000 0.191 630 E C 1.986 178.669 176.600 0.139 0.000 0.985 630 E CA 0.968 57.429 56.400 0.103 0.000 0.801 630 E CB -0.516 29.232 29.700 0.080 0.000 0.750 630 E HN 0.215 nan 8.360 nan 0.000 0.452 631 M N 0.694 120.437 119.600 0.238 0.000 2.108 631 M HA -0.184 4.299 4.480 0.004 0.000 0.261 631 M C 1.997 178.508 176.300 0.351 0.000 1.066 631 M CA 1.616 57.157 55.300 0.401 0.000 1.107 631 M CB -0.130 32.714 32.600 0.405 0.000 1.356 631 M HN -0.005 nan 8.290 nan 0.000 0.406 632 T N 0.163 114.894 114.554 0.295 0.000 2.708 632 T HA -0.156 4.196 4.350 0.004 0.000 0.266 632 T C 1.728 176.481 174.700 0.089 0.000 1.037 632 T CA 1.799 64.018 62.100 0.199 0.000 1.146 632 T CB -0.603 68.473 68.868 0.347 0.000 0.865 632 T HN 0.468 nan 8.240 nan 0.000 0.435 633 V N 1.302 121.202 119.914 -0.024 0.000 2.427 633 V HA -0.035 4.088 4.120 0.004 0.000 0.248 633 V C 2.221 178.439 176.094 0.207 0.000 1.051 633 V CA 1.418 63.673 62.300 -0.075 0.000 1.048 633 V CB -0.516 31.053 31.823 -0.424 0.000 0.666 633 V HN 0.387 nan 8.190 nan 0.000 0.456 634 L N -0.038 121.257 121.223 0.119 0.000 2.027 634 L HA -0.046 4.296 4.340 0.004 0.000 0.206 634 L C 2.280 179.257 176.870 0.179 0.000 1.074 634 L CA 2.525 57.446 54.840 0.136 0.000 0.745 634 L CB -0.749 41.285 42.059 -0.041 0.000 0.898 634 L HN 0.427 nan 8.230 nan 0.000 0.433 635 L N -0.827 120.457 121.223 0.101 0.000 2.046 635 L HA -0.087 4.255 4.340 0.004 0.000 0.208 635 L C 2.245 178.757 176.870 -0.597 0.000 1.077 635 L CA 1.759 56.489 54.840 -0.184 0.000 0.747 635 L CB -0.871 40.949 42.059 -0.399 0.000 0.896 635 L HN 0.396 nan 8.230 nan 0.000 0.432 636 G N -1.371 107.028 108.800 -0.668 0.000 2.443 636 G HA2 -0.149 3.813 3.960 0.004 0.000 0.219 636 G HA3 -0.149 3.813 3.960 0.004 0.000 0.219 636 G C 1.410 176.025 174.900 -0.475 0.000 1.131 636 G CA 0.516 44.951 45.100 -1.108 0.000 0.775 636 G HN 0.561 nan 8.290 nan 0.000 0.547 637 G N 0.915 109.707 108.800 -0.012 0.000 2.394 637 G HA2 -0.076 3.886 3.960 0.004 0.000 0.214 637 G HA3 -0.076 3.886 3.960 0.004 0.000 0.214 637 G C 1.760 176.456 174.900 -0.340 0.000 1.176 637 G CA 0.457 45.437 45.100 -0.199 0.000 0.786 637 G HN 0.394 nan 8.290 nan 0.000 0.533 638 L N 0.032 121.175 121.223 -0.134 0.000 2.079 638 L HA -0.066 4.277 4.340 0.004 0.000 0.210 638 L C 3.164 179.882 176.870 -0.254 0.000 1.081 638 L CA 0.706 55.439 54.840 -0.178 0.000 0.752 638 L CB -0.290 41.636 42.059 -0.221 0.000 0.896 638 L HN 0.069 nan 8.230 nan 0.000 0.433 639 R N 0.024 120.309 120.500 -0.358 0.000 2.081 639 R HA -0.123 4.219 4.340 0.004 0.000 0.235 639 R C 2.151 178.300 176.300 -0.253 0.000 1.131 639 R CA 1.784 57.677 56.100 -0.344 0.000 0.960 639 R CB -0.874 29.115 30.300 -0.519 0.000 0.856 639 R HN 0.466 nan 8.270 nan 0.000 0.436 640 V N -1.941 117.815 119.914 -0.264 0.000 3.306 640 V HA 0.065 4.188 4.120 0.004 0.000 0.264 640 V C 1.896 177.887 176.094 -0.172 0.000 1.149 640 V CA 0.920 63.104 62.300 -0.194 0.000 1.143 640 V CB -0.449 31.258 31.823 -0.194 0.000 0.767 640 V HN 0.077 nan 8.190 nan 0.000 0.476 641 L N 1.403 122.502 121.223 -0.205 0.000 2.558 641 L HA 0.453 4.796 4.340 0.004 0.000 0.225 641 L C 1.796 178.596 176.870 -0.117 0.000 1.128 641 L CA 0.817 55.549 54.840 -0.180 0.000 0.868 641 L CB -0.363 41.554 42.059 -0.238 0.000 1.006 641 L HN 0.629 nan 8.230 nan 0.000 0.454 642 G N -0.141 108.598 108.800 -0.102 0.000 2.142 642 G HA2 -0.266 3.697 3.960 0.004 0.000 0.225 642 G HA3 -0.266 3.697 3.960 0.004 0.000 0.225 642 G C 0.750 175.625 174.900 -0.041 0.000 1.015 642 G CA 0.204 45.269 45.100 -0.059 0.000 0.716 642 G HN 0.387 nan 8.290 nan 0.000 0.508 643 A N -0.583 122.198 122.820 -0.065 0.000 2.208 643 A HA 0.308 4.631 4.320 0.004 0.000 0.209 643 A C 1.209 178.786 177.584 -0.012 0.000 1.161 643 A CA 0.632 52.650 52.037 -0.031 0.000 0.782 643 A CB -0.114 18.827 19.000 -0.098 0.000 0.816 643 A HN 0.460 nan 8.150 nan 0.000 0.477 644 N N 0.267 118.953 118.700 -0.023 0.000 2.454 644 N HA 0.193 4.935 4.740 0.004 0.000 0.254 644 N C -0.084 175.456 175.510 0.051 0.000 1.228 644 N CA 0.099 53.158 53.050 0.015 0.000 0.900 644 N CB 0.699 39.187 38.487 0.002 0.000 1.089 644 N HN 0.026 nan 8.380 nan 0.000 0.449 645 V N 1.333 121.302 119.914 0.091 0.000 2.763 645 V HA 0.172 4.294 4.120 0.004 0.000 0.306 645 V C 1.544 177.687 176.094 0.080 0.000 1.059 645 V CA 0.967 63.320 62.300 0.088 0.000 1.138 645 V CB 0.443 32.340 31.823 0.122 0.000 0.940 645 V HN 0.972 nan 8.190 nan 0.000 0.489 646 G N 3.407 112.243 108.800 0.060 0.000 2.168 646 G HA2 -0.294 3.668 3.960 0.004 0.000 0.257 646 G HA3 -0.294 3.668 3.960 0.004 0.000 0.257 646 G C 0.417 175.331 174.900 0.023 0.000 0.997 646 G CA 0.397 45.525 45.100 0.046 0.000 0.708 646 G HN 0.900 nan 8.290 nan 0.000 0.520 647 Q N -1.823 117.988 119.800 0.019 0.000 2.494 647 Q HA -0.208 4.134 4.340 0.004 0.000 0.266 647 Q C 0.863 176.854 176.000 -0.015 0.000 1.053 647 Q CA 1.421 57.227 55.803 0.005 0.000 1.029 647 Q CB -2.137 26.606 28.738 0.009 0.000 1.423 647 Q HN 1.482 nan 8.270 nan 0.000 0.516 648 S N 0.040 115.722 115.700 -0.030 0.000 2.558 648 S HA 0.040 4.513 4.470 0.004 0.000 0.291 648 S C 1.338 175.891 174.600 -0.079 0.000 1.306 648 S CA -0.009 58.128 58.200 -0.104 0.000 1.056 648 S CB 0.519 63.648 63.200 -0.119 0.000 0.836 648 S HN 0.233 nan 8.310 nan 0.000 0.504 649 R N 2.684 123.126 120.500 -0.096 0.000 2.313 649 R HA 0.051 4.393 4.340 0.004 0.000 0.199 649 R C 0.052 176.438 176.300 0.142 0.000 0.958 649 R CA 0.231 56.358 56.100 0.044 0.000 1.047 649 R CB -0.572 29.798 30.300 0.116 0.000 0.955 649 R HN 0.735 nan 8.270 nan 0.000 0.481 650 H N 0.292 119.420 119.070 0.096 0.000 2.975 650 H HA 0.095 4.654 4.556 0.005 0.000 0.303 650 H C 1.182 176.472 175.328 -0.064 0.000 1.023 650 H CA 0.360 56.471 56.048 0.106 0.000 1.473 650 H CB 0.549 30.377 29.762 0.109 0.000 1.498 650 H HN 0.378 nan 8.280 nan 0.000 0.549 651 G N 2.638 111.372 108.800 -0.111 0.000 2.184 651 G HA2 -0.305 3.657 3.960 0.004 0.000 0.264 651 G HA3 -0.305 3.657 3.960 0.004 0.000 0.264 651 G C 0.400 174.738 174.900 -0.936 0.000 0.975 651 G CA 0.260 44.826 45.100 -0.890 0.000 0.642 651 G HN 0.530 nan 8.290 nan 0.000 0.536 652 V N 1.910 121.586 119.914 -0.396 0.000 2.008 652 V HA 0.309 4.432 4.120 0.004 0.000 0.262 652 V C 0.701 176.726 176.094 -0.115 0.000 1.580 652 V CA -0.087 62.095 62.300 -0.195 0.000 1.515 652 V CB -0.907 30.904 31.823 -0.020 0.000 1.474 652 V HN 0.347 nan 8.190 nan 0.000 0.504 653 F N 1.834 121.572 119.950 -0.353 0.000 2.659 653 F HA 0.380 4.910 4.527 0.005 0.000 0.360 653 F C 0.924 176.319 175.800 -0.674 0.000 1.218 653 F CA -0.136 57.232 58.000 -1.052 0.000 1.317 653 F CB 0.237 38.464 39.000 -1.288 0.000 1.697 653 F HN 0.374 nan 8.300 nan 0.000 0.637 654 T N -0.228 114.304 114.554 -0.037 0.000 2.853 654 T HA 0.591 4.944 4.350 0.004 0.000 0.311 654 T C -0.099 174.766 174.700 0.275 0.000 1.307 654 T CA -0.225 61.940 62.100 0.107 0.000 1.019 654 T CB 1.743 70.613 68.868 0.003 0.000 1.264 654 T HN 0.212 nan 8.240 nan 0.000 0.497 655 A N 2.592 125.546 122.820 0.223 0.000 2.465 655 A HA 0.365 4.687 4.320 0.004 0.000 0.255 655 A C 0.847 178.487 177.584 0.093 0.000 1.274 655 A CA -0.304 51.833 52.037 0.167 0.000 0.920 655 A CB -0.077 19.007 19.000 0.140 0.000 1.033 655 A HN 0.658 nan 8.150 nan 0.000 0.516 656 R N 0.402 120.944 120.500 0.070 0.000 2.738 656 R HA 0.346 4.688 4.340 0.004 0.000 0.280 656 R C -0.678 175.628 176.300 0.010 0.000 1.456 656 R CA -0.392 55.729 56.100 0.034 0.000 1.612 656 R CB -0.133 30.183 30.300 0.027 0.000 1.286 656 R HN 0.340 nan 8.270 nan 0.000 0.660 657 E N 1.868 122.077 120.200 0.014 0.000 2.437 657 E HA -0.114 4.238 4.350 0.004 0.000 0.263 657 E C -0.240 176.342 176.600 -0.030 0.000 1.030 657 E CA 0.682 57.073 56.400 -0.014 0.000 0.934 657 E CB 0.464 30.164 29.700 0.001 0.000 0.943 657 E HN 0.471 nan 8.360 nan 0.000 0.444 658 Q N -1.396 118.369 119.800 -0.059 0.000 2.424 658 Q HA -0.251 4.091 4.340 0.004 0.000 0.234 658 Q C -1.069 174.890 176.000 -0.069 0.000 0.748 658 Q CA 0.630 56.392 55.803 -0.068 0.000 1.286 658 Q CB -1.701 27.009 28.738 -0.046 0.000 1.494 658 Q HN 0.478 nan 8.270 nan 0.000 0.683 659 A N 0.755 123.536 122.820 -0.065 0.000 2.342 659 A HA 0.667 4.989 4.320 0.004 0.000 0.323 659 A C -0.549 176.983 177.584 -0.086 0.000 1.125 659 A CA -0.610 51.394 52.037 -0.055 0.000 0.785 659 A CB 1.095 20.084 19.000 -0.017 0.000 1.221 659 A HN 0.186 nan 8.150 nan 0.000 0.463 660 L N 3.700 124.867 121.223 -0.093 0.000 2.334 660 L HA 0.518 4.860 4.340 0.004 0.000 0.286 660 L C 0.499 177.367 176.870 -0.002 0.000 1.108 660 L CA 0.813 55.582 54.840 -0.118 0.000 0.875 660 L CB -0.148 41.793 42.059 -0.197 0.000 1.246 660 L HN 0.865 nan 8.230 nan 0.000 0.439 661 T N 0.308 114.847 114.554 -0.025 0.000 2.864 661 T HA 0.411 4.764 4.350 0.004 0.000 0.289 661 T C 0.453 174.863 174.700 -0.483 0.000 1.082 661 T CA -0.512 61.537 62.100 -0.085 0.000 1.009 661 T CB 1.192 70.023 68.868 -0.060 0.000 1.234 661 T HN 0.489 nan 8.240 nan 0.000 0.526 662 N N -0.191 118.200 118.700 -0.516 0.000 2.322 662 N HA 0.066 4.809 4.740 0.004 0.000 0.216 662 N C 0.198 175.566 175.510 -0.237 0.000 1.144 662 N CA -0.158 52.490 53.050 -0.671 0.000 0.830 662 N CB -0.306 38.025 38.487 -0.260 0.000 1.034 662 N HN 0.529 nan 8.380 nan 0.000 0.484 663 D N 0.678 120.952 120.400 -0.210 0.000 2.158 663 D HA -0.177 4.466 4.640 0.004 0.000 0.197 663 D C 1.233 177.430 176.300 -0.171 0.000 0.995 663 D CA 0.711 54.638 54.000 -0.123 0.000 0.846 663 D CB -0.338 40.411 40.800 -0.086 0.000 0.941 663 D HN 0.353 nan 8.370 nan 0.000 0.456 664 F N 0.502 120.178 119.950 -0.457 0.000 2.091 664 F HA -0.261 4.269 4.527 0.005 0.000 0.299 664 F C 1.944 177.460 175.800 -0.472 0.000 1.103 664 F CA 1.535 59.202 58.000 -0.556 0.000 1.228 664 F CB -0.468 37.970 39.000 -0.937 0.000 0.984 664 F HN -0.101 nan 8.300 nan 0.000 0.477 665 F N -0.505 119.424 119.950 -0.034 0.000 2.163 665 F HA -0.143 4.387 4.527 0.004 0.000 0.297 665 F C 2.342 178.078 175.800 -0.107 0.000 1.094 665 F CA 1.229 59.194 58.000 -0.058 0.000 1.290 665 F CB -1.177 37.864 39.000 0.068 0.000 1.017 665 F HN -0.225 nan 8.300 nan 0.000 0.483 666 V N 0.476 120.438 119.914 0.080 0.000 2.295 666 V HA -0.293 3.830 4.120 0.004 0.000 0.246 666 V C 2.117 178.191 176.094 -0.034 0.000 1.049 666 V CA 2.003 64.325 62.300 0.037 0.000 1.024 666 V CB -0.619 31.226 31.823 0.036 0.000 0.648 666 V HN 0.363 nan 8.190 nan 0.000 0.447 667 N N -0.028 118.596 118.700 -0.127 0.000 2.216 667 N HA -0.096 4.646 4.740 0.004 0.000 0.183 667 N C 1.725 177.050 175.510 -0.308 0.000 1.017 667 N CA 1.231 54.167 53.050 -0.189 0.000 0.861 667 N CB -0.354 37.918 38.487 -0.358 0.000 0.986 667 N HN 0.420 nan 8.380 nan 0.000 0.428 668 L N 1.103 122.062 121.223 -0.439 0.000 2.083 668 L HA -0.005 4.338 4.340 0.004 0.000 0.209 668 L C 1.583 178.339 176.870 -0.189 0.000 1.083 668 L CA 1.436 55.986 54.840 -0.482 0.000 0.752 668 L CB -0.387 41.316 42.059 -0.592 0.000 0.899 668 L HN 0.077 nan 8.230 nan 0.000 0.433 669 L N -0.411 120.760 121.223 -0.087 0.000 2.591 669 L HA 0.109 4.452 4.340 0.004 0.000 0.228 669 L C 0.221 177.105 176.870 0.024 0.000 1.133 669 L CA -0.230 54.607 54.840 -0.006 0.000 0.880 669 L CB -0.605 41.476 42.059 0.037 0.000 1.033 669 L HN 0.183 nan 8.230 nan 0.000 0.450 670 D N 0.901 121.319 120.400 0.030 0.000 2.346 670 D HA -0.025 4.617 4.640 0.004 0.000 0.260 670 D C 0.873 177.214 176.300 0.068 0.000 1.252 670 D CA -0.018 54.012 54.000 0.050 0.000 0.895 670 D CB 1.259 42.097 40.800 0.065 0.000 1.097 670 D HN -0.076 nan 8.370 nan 0.000 0.489 671 M N 3.410 123.039 119.600 0.048 0.000 2.630 671 M HA 0.168 4.650 4.480 0.004 0.000 0.254 671 M C 1.701 178.016 176.300 0.025 0.000 1.092 671 M CA 0.613 55.941 55.300 0.046 0.000 1.087 671 M CB -0.235 32.383 32.600 0.028 0.000 1.453 671 M HN 0.414 nan 8.290 nan 0.000 0.509 672 G N -0.662 108.147 108.800 0.015 0.000 2.625 672 G HA2 -0.049 3.914 3.960 0.004 0.000 0.214 672 G HA3 -0.049 3.914 3.960 0.004 0.000 0.214 672 G C 0.304 175.173 174.900 -0.051 0.000 1.132 672 G CA 0.582 45.673 45.100 -0.015 0.000 0.782 672 G HN 0.460 nan 8.290 nan 0.000 0.538 673 T N -0.067 114.460 114.554 -0.046 0.000 2.807 673 T HA 0.475 4.827 4.350 0.004 0.000 0.279 673 T C -0.764 173.819 174.700 -0.195 0.000 0.993 673 T CA -0.507 61.483 62.100 -0.182 0.000 0.970 673 T CB 2.645 71.397 68.868 -0.194 0.000 0.950 673 T HN 0.248 nan 8.240 nan 0.000 0.441 674 E N 1.911 121.936 120.200 -0.292 0.000 2.191 674 E HA 0.453 4.806 4.350 0.004 0.000 0.274 674 E C -1.377 175.024 176.600 -0.331 0.000 0.948 674 E CA -0.826 55.474 56.400 -0.167 0.000 0.802 674 E CB 1.148 30.797 29.700 -0.085 0.000 1.137 674 E HN 0.551 nan 8.360 nan 0.000 0.397 675 W N 2.687 124.000 121.300 0.022 0.000 2.666 675 W HA 0.492 5.154 4.660 0.004 0.000 0.334 675 W C -0.429 176.164 176.519 0.123 0.000 1.051 675 W CA -0.625 56.763 57.345 0.071 0.000 1.224 675 W CB 1.733 31.205 29.460 0.019 0.000 1.405 675 W HN 0.285 nan 8.180 nan 0.000 0.513 676 K N 2.818 123.450 120.400 0.387 0.000 2.527 676 K HA 0.405 4.728 4.320 0.004 0.000 0.260 676 K C -2.674 174.113 176.600 0.313 0.000 0.937 676 K CA -1.930 54.544 56.287 0.311 0.000 0.826 676 K CB 2.516 35.099 32.500 0.138 0.000 1.359 676 K HN 0.019 nan 8.250 nan 0.000 0.434 677 P HA -0.024 nan 4.420 nan 0.000 0.272 677 P C -0.341 176.872 177.300 -0.145 0.000 1.223 677 P CA -0.206 62.727 63.100 -0.278 0.000 0.784 677 P CB 0.313 31.809 31.700 -0.340 0.000 0.923 678 T N -1.707 112.729 114.554 -0.196 0.000 2.899 678 T HA 0.390 4.743 4.350 0.004 0.000 0.295 678 T C 1.520 176.167 174.700 -0.088 0.000 1.033 678 T CA -0.076 61.968 62.100 -0.093 0.000 1.084 678 T CB 0.626 69.453 68.868 -0.069 0.000 0.979 678 T HN 0.403 nan 8.240 nan 0.000 0.532 679 A N 2.268 125.060 122.820 -0.048 0.000 1.873 679 A HA 0.060 4.383 4.320 0.004 0.000 0.218 679 A C 2.697 180.257 177.584 -0.041 0.000 1.193 679 A CA 2.222 54.237 52.037 -0.037 0.000 0.629 679 A CB -1.639 17.348 19.000 -0.022 0.000 0.826 679 A HN 1.337 nan 8.150 nan 0.000 0.447 680 A N -1.566 121.232 122.820 -0.035 0.000 1.908 680 A HA -0.047 4.275 4.320 0.004 0.000 0.218 680 A C 1.043 178.599 177.584 -0.047 0.000 1.181 680 A CA 1.901 53.919 52.037 -0.030 0.000 0.627 680 A CB -0.191 18.800 19.000 -0.014 0.000 0.818 680 A HN 0.482 nan 8.150 nan 0.000 0.445 681 D N -2.816 117.539 120.400 -0.074 0.000 2.478 681 D HA 0.531 5.174 4.640 0.004 0.000 0.240 681 D C 0.388 176.577 176.300 -0.184 0.000 1.364 681 D CA 0.258 54.197 54.000 -0.101 0.000 0.987 681 D CB 1.334 42.087 40.800 -0.079 0.000 1.328 681 D HN 0.094 nan 8.370 nan 0.000 0.584 682 A N 3.108 125.823 122.820 -0.175 0.000 2.225 682 A HA -0.101 4.221 4.320 0.004 0.000 0.215 682 A C 1.157 178.508 177.584 -0.389 0.000 1.164 682 A CA 1.030 52.922 52.037 -0.242 0.000 0.710 682 A CB 0.088 19.016 19.000 -0.121 0.000 0.780 682 A HN 0.484 nan 8.150 nan 0.000 0.473 683 D N -1.108 119.114 120.400 -0.298 0.000 2.369 683 D HA 0.209 4.852 4.640 0.004 0.000 0.211 683 D C -0.117 176.025 176.300 -0.264 0.000 1.077 683 D CA 0.336 54.213 54.000 -0.204 0.000 0.842 683 D CB 0.670 41.432 40.800 -0.064 0.000 0.947 683 D HN 0.170 nan 8.370 nan 0.000 0.509 684 V N 1.038 120.697 119.914 -0.424 0.000 2.628 684 V HA 0.433 4.556 4.120 0.004 0.000 0.306 684 V C -0.645 175.163 176.094 -0.477 0.000 1.045 684 V CA -0.702 61.413 62.300 -0.308 0.000 0.905 684 V CB 1.880 33.588 31.823 -0.192 0.000 0.997 684 V HN -0.164 nan 8.190 nan 0.000 0.436 685 F N 1.398 121.391 119.950 0.073 0.000 2.551 685 F HA 0.559 5.088 4.527 0.004 0.000 0.316 685 F C 0.273 176.261 175.800 0.312 0.000 1.089 685 F CA -0.676 57.452 58.000 0.213 0.000 0.915 685 F CB 1.901 41.072 39.000 0.285 0.000 1.186 685 F HN 0.389 nan 8.300 nan 0.000 0.456 686 E N 0.777 121.214 120.200 0.395 0.000 2.166 686 E HA 0.554 4.906 4.350 0.004 0.000 0.275 686 E C -0.356 176.221 176.600 -0.038 0.000 0.941 686 E CA -0.752 55.768 56.400 0.201 0.000 0.784 686 E CB 1.960 31.700 29.700 0.066 0.000 1.115 686 E HN 0.796 nan 8.360 nan 0.000 0.399 687 G N 3.244 111.737 108.800 -0.511 0.000 2.415 687 G HA2 0.394 4.357 3.960 0.004 0.000 0.317 687 G HA3 0.394 4.357 3.960 0.004 0.000 0.317 687 G C -0.417 174.055 174.900 -0.714 0.000 1.152 687 G CA -0.496 43.741 45.100 -1.437 0.000 0.956 687 G HN 0.334 nan 8.290 nan 0.000 0.458 688 R N 1.891 122.069 120.500 -0.536 0.000 2.664 688 R HA 0.257 4.600 4.340 0.004 0.000 0.286 688 R C -0.716 175.405 176.300 -0.299 0.000 0.967 688 R CA -0.959 54.938 56.100 -0.339 0.000 0.933 688 R CB 2.044 32.214 30.300 -0.215 0.000 1.146 688 R HN 0.556 nan 8.270 nan 0.000 0.468 689 D N 1.901 122.154 120.400 -0.246 0.000 2.531 689 D HA -0.074 4.569 4.640 0.004 0.000 0.239 689 D C 0.742 176.960 176.300 -0.136 0.000 1.144 689 D CA 0.571 54.463 54.000 -0.181 0.000 0.869 689 D CB 0.817 41.522 40.800 -0.159 0.000 1.160 689 D HN 0.422 nan 8.370 nan 0.000 0.484 690 R N 2.767 123.201 120.500 -0.110 0.000 2.120 690 R HA -0.146 4.196 4.340 0.004 0.000 0.234 690 R C 1.853 178.115 176.300 -0.063 0.000 1.123 690 R CA 1.551 57.605 56.100 -0.078 0.000 0.975 690 R CB 0.038 30.304 30.300 -0.055 0.000 0.866 690 R HN 0.530 nan 8.270 nan 0.000 0.446 691 A N -0.511 122.271 122.820 -0.063 0.000 1.984 691 A HA -0.065 4.257 4.320 0.004 0.000 0.214 691 A C 1.969 179.520 177.584 -0.054 0.000 1.173 691 A CA 1.489 53.496 52.037 -0.050 0.000 0.673 691 A CB -0.022 18.951 19.000 -0.045 0.000 0.830 691 A HN 0.451 nan 8.150 nan 0.000 0.453 692 T N -6.385 108.128 114.554 -0.068 0.000 2.978 692 T HA 0.437 4.790 4.350 0.004 0.000 0.248 692 T C 1.412 176.069 174.700 -0.072 0.000 1.018 692 T CA 1.184 63.244 62.100 -0.067 0.000 1.026 692 T CB 0.497 69.321 68.868 -0.073 0.000 1.032 692 T HN 1.637 nan 8.240 nan 0.000 0.485 693 G N 1.360 110.106 108.800 -0.089 0.000 2.176 693 G HA2 -0.222 3.741 3.960 0.004 0.000 0.232 693 G HA3 -0.222 3.741 3.960 0.004 0.000 0.232 693 G C -0.166 174.669 174.900 -0.108 0.000 0.986 693 G CA 0.134 45.180 45.100 -0.090 0.000 0.643 693 G HN 0.853 nan 8.290 nan 0.000 0.522 694 E N 0.537 120.664 120.200 -0.122 0.000 2.344 694 E HA 0.389 4.741 4.350 0.004 0.000 0.270 694 E C 0.437 176.927 176.600 -0.183 0.000 1.021 694 E CA -0.818 55.501 56.400 -0.135 0.000 0.887 694 E CB 0.399 30.014 29.700 -0.141 0.000 0.997 694 E HN 0.321 nan 8.360 nan 0.000 0.429 695 L N 5.397 126.519 121.223 -0.168 0.000 2.534 695 L HA 0.014 4.356 4.340 0.004 0.000 0.271 695 L C 0.480 177.174 176.870 -0.293 0.000 1.178 695 L CA 0.964 55.684 54.840 -0.200 0.000 0.907 695 L CB 0.444 42.430 42.059 -0.121 0.000 1.164 695 L HN 0.628 nan 8.230 nan 0.000 0.482 696 K N 3.553 123.688 120.400 -0.441 0.000 2.329 696 K HA 0.217 4.539 4.320 0.004 0.000 0.198 696 K C -0.747 175.333 176.600 -0.866 0.000 1.085 696 K CA 0.585 56.396 56.287 -0.794 0.000 0.961 696 K CB 0.343 32.207 32.500 -1.061 0.000 0.971 696 K HN 0.592 nan 8.250 nan 0.000 0.502 697 W N 0.118 121.342 121.300 -0.127 0.000 3.025 697 W HA 0.266 4.928 4.660 0.004 0.000 0.343 697 W C -0.797 175.842 176.519 0.200 0.000 1.246 697 W CA -1.060 56.344 57.345 0.099 0.000 1.178 697 W CB 1.025 30.553 29.460 0.114 0.000 1.463 697 W HN -0.233 nan 8.180 nan 0.000 0.578 698 T N -0.681 114.306 114.554 0.723 0.000 2.907 698 T HA 0.935 5.287 4.350 0.004 0.000 0.292 698 T C -0.467 174.695 174.700 0.770 0.000 1.043 698 T CA -0.648 61.841 62.100 0.649 0.000 1.003 698 T CB 1.992 71.170 68.868 0.516 0.000 1.084 698 T HN 0.948 nan 8.240 nan 0.000 0.483 699 G N 0.478 109.624 108.800 0.576 0.000 2.684 699 G HA2 0.674 4.637 3.960 0.004 0.000 0.290 699 G HA3 0.674 4.637 3.960 0.004 0.000 0.290 699 G C -0.482 174.526 174.900 0.180 0.000 1.425 699 G CA -0.372 44.953 45.100 0.374 0.000 0.822 699 G HN 1.078 nan 8.290 nan 0.000 0.482 700 T N -2.190 112.426 114.554 0.103 0.000 2.910 700 T HA 0.408 4.760 4.350 0.004 0.000 0.279 700 T C 1.394 176.201 174.700 0.179 0.000 0.989 700 T CA -0.581 61.603 62.100 0.140 0.000 0.968 700 T CB 1.802 70.707 68.868 0.062 0.000 1.135 700 T HN 0.465 nan 8.240 nan 0.000 0.562 701 R N -0.391 120.241 120.500 0.219 0.000 2.091 701 R HA -0.065 4.277 4.340 0.004 0.000 0.238 701 R C 2.297 178.585 176.300 -0.020 0.000 1.136 701 R CA 1.254 57.397 56.100 0.072 0.000 0.959 701 R CB -1.019 29.343 30.300 0.103 0.000 0.856 701 R HN 0.468 nan 8.270 nan 0.000 0.437 702 V N 1.639 121.565 119.914 0.020 0.000 2.407 702 V HA -0.223 3.899 4.120 0.004 0.000 0.248 702 V C 1.616 177.795 176.094 0.141 0.000 1.055 702 V CA 1.827 64.140 62.300 0.022 0.000 1.049 702 V CB -0.381 31.446 31.823 0.006 0.000 0.662 702 V HN 0.303 nan 8.190 nan 0.000 0.455 703 D N 0.015 120.493 120.400 0.129 0.000 2.103 703 D HA -0.071 4.572 4.640 0.004 0.000 0.199 703 D C 2.050 178.482 176.300 0.219 0.000 0.978 703 D CA 1.104 55.255 54.000 0.251 0.000 0.829 703 D CB -0.076 40.805 40.800 0.136 0.000 0.981 703 D HN 0.330 nan 8.370 nan 0.000 0.464 704 L N 0.930 122.105 121.223 -0.081 0.000 2.478 704 L HA -0.006 4.336 4.340 0.004 0.000 0.223 704 L C 2.395 179.124 176.870 -0.235 0.000 1.140 704 L CA 0.095 54.746 54.840 -0.314 0.000 0.842 704 L CB -0.026 41.626 42.059 -0.678 0.000 0.953 704 L HN -0.082 nan 8.230 nan 0.000 0.452 705 V N -0.211 119.592 119.914 -0.184 0.000 2.594 705 V HA -0.256 3.866 4.120 0.004 0.000 0.253 705 V C 2.099 178.025 176.094 -0.280 0.000 1.069 705 V CA 1.644 63.784 62.300 -0.266 0.000 1.082 705 V CB -0.367 31.248 31.823 -0.346 0.000 0.680 705 V HN 0.282 nan 8.190 nan 0.000 0.469 706 F N 0.889 120.844 119.950 0.008 0.000 2.451 706 F HA 0.117 4.646 4.527 0.004 0.000 0.299 706 F C 2.148 177.973 175.800 0.042 0.000 1.101 706 F CA 1.178 59.238 58.000 0.099 0.000 1.436 706 F CB -0.451 38.711 39.000 0.269 0.000 1.074 706 F HN 0.310 nan 8.300 nan 0.000 0.553 707 G N -2.135 106.689 108.800 0.040 0.000 3.126 707 G HA2 0.071 4.034 3.960 0.004 0.000 0.224 707 G HA3 0.071 4.034 3.960 0.004 0.000 0.224 707 G C 1.304 176.144 174.900 -0.099 0.000 1.142 707 G CA 0.694 45.760 45.100 -0.057 0.000 0.759 707 G HN 0.322 nan 8.290 nan 0.000 0.550 708 S N -0.944 114.694 115.700 -0.103 0.000 2.979 708 S HA 0.127 4.600 4.470 0.004 0.000 0.243 708 S C 0.755 175.295 174.600 -0.099 0.000 1.036 708 S CA -0.349 57.776 58.200 -0.124 0.000 0.846 708 S CB -0.319 62.780 63.200 -0.169 0.000 0.806 708 S HN 0.335 nan 8.310 nan 0.000 0.568 709 H N 2.609 121.583 119.070 -0.160 0.000 2.964 709 H HA 0.128 4.687 4.556 0.004 0.000 0.328 709 H C 1.409 176.677 175.328 -0.101 0.000 1.030 709 H CA 1.081 57.042 56.048 -0.145 0.000 1.445 709 H CB 1.225 30.885 29.762 -0.171 0.000 1.449 709 H HN 0.517 nan 8.280 nan 0.000 0.581 710 S N 2.721 118.161 115.700 -0.434 0.000 2.428 710 S HA -0.167 4.305 4.470 0.004 0.000 0.230 710 S C 1.863 176.442 174.600 -0.036 0.000 1.014 710 S CA 0.987 59.065 58.200 -0.202 0.000 0.957 710 S CB 0.034 63.079 63.200 -0.258 0.000 0.784 710 S HN 0.772 nan 8.310 nan 0.000 0.499 711 Q N 0.940 120.799 119.800 0.099 0.000 2.062 711 Q HA 0.154 4.497 4.340 0.004 0.000 0.196 711 Q C 2.139 178.285 176.000 0.244 0.000 0.967 711 Q CA 0.920 56.856 55.803 0.222 0.000 0.832 711 Q CB -0.231 28.704 28.738 0.328 0.000 0.899 711 Q HN 0.569 nan 8.270 nan 0.000 0.442 712 L N 0.332 121.755 121.223 0.332 0.000 2.083 712 L HA -0.159 4.184 4.340 0.004 0.000 0.209 712 L C 2.715 179.737 176.870 0.254 0.000 1.083 712 L CA 1.257 56.220 54.840 0.206 0.000 0.752 712 L CB -0.415 41.613 42.059 -0.052 0.000 0.899 712 L HN 0.238 nan 8.230 nan 0.000 0.433 713 R N 0.388 120.997 120.500 0.181 0.000 2.148 713 R HA -0.102 4.240 4.340 0.004 0.000 0.223 713 R C 2.281 178.660 176.300 0.132 0.000 1.088 713 R CA 1.056 57.252 56.100 0.160 0.000 0.985 713 R CB -0.096 30.246 30.300 0.070 0.000 0.880 713 R HN 0.316 nan 8.270 nan 0.000 0.451 714 A N 0.812 123.694 122.820 0.104 0.000 1.969 714 A HA -0.077 4.246 4.320 0.004 0.000 0.218 714 A C 2.034 179.663 177.584 0.076 0.000 1.169 714 A CA 0.918 52.995 52.037 0.067 0.000 0.635 714 A CB -0.284 18.745 19.000 0.047 0.000 0.810 714 A HN 0.315 nan 8.150 nan 0.000 0.445 715 L N -1.050 120.258 121.223 0.142 0.000 2.068 715 L HA -0.089 4.254 4.340 0.004 0.000 0.204 715 L C 3.091 180.061 176.870 0.168 0.000 1.076 715 L CA 0.907 55.843 54.840 0.159 0.000 0.753 715 L CB -0.660 41.562 42.059 0.271 0.000 0.910 715 L HN 0.387 nan 8.230 nan 0.000 0.439 716 A N 0.194 123.173 122.820 0.265 0.000 1.948 716 A HA -0.260 4.063 4.320 0.004 0.000 0.220 716 A C 2.147 179.808 177.584 0.128 0.000 1.177 716 A CA 1.922 54.127 52.037 0.280 0.000 0.636 716 A CB -0.515 18.778 19.000 0.489 0.000 0.815 716 A HN 0.470 nan 8.150 nan 0.000 0.449 717 E N -0.556 119.699 120.200 0.092 0.000 2.110 717 E HA -0.125 4.227 4.350 0.004 0.000 0.193 717 E C 1.967 178.540 176.600 -0.045 0.000 0.988 717 E CA 1.220 57.641 56.400 0.035 0.000 0.804 717 E CB -0.262 29.452 29.700 0.022 0.000 0.745 717 E HN 0.427 nan 8.360 nan 0.000 0.458 718 V N 0.334 120.167 119.914 -0.135 0.000 2.287 718 V HA -0.272 3.850 4.120 0.004 0.000 0.248 718 V C 1.723 177.600 176.094 -0.361 0.000 1.053 718 V CA 1.816 63.942 62.300 -0.289 0.000 1.027 718 V CB -0.541 31.000 31.823 -0.471 0.000 0.646 718 V HN 0.333 nan 8.190 nan 0.000 0.447 719 Y N 0.438 120.607 120.300 -0.218 0.000 2.516 719 Y HA 0.141 4.694 4.550 0.005 0.000 0.291 719 Y C 2.273 178.077 175.900 -0.159 0.000 1.131 719 Y CA 0.751 58.676 58.100 -0.290 0.000 1.281 719 Y CB -0.205 37.729 38.460 -0.877 0.000 1.013 719 Y HN 0.313 nan 8.280 nan 0.000 0.554 720 G N -0.911 107.926 108.800 0.062 0.000 3.371 720 G HA2 0.083 4.045 3.960 0.004 0.000 0.248 720 G HA3 0.083 4.045 3.960 0.004 0.000 0.248 720 G C 0.170 175.113 174.900 0.072 0.000 1.161 720 G CA -0.156 45.032 45.100 0.146 0.000 0.796 720 G HN 0.054 nan 8.290 nan 0.000 0.539 721 S N -0.427 115.292 115.700 0.031 0.000 2.632 721 S HA 0.481 4.954 4.470 0.004 0.000 0.267 721 S C 1.649 176.270 174.600 0.035 0.000 1.276 721 S CA 0.029 58.239 58.200 0.018 0.000 0.998 721 S CB 1.636 64.827 63.200 -0.014 0.000 0.953 721 S HN 0.332 nan 8.310 nan 0.000 0.547 722 A N 1.334 124.172 122.820 0.031 0.000 2.067 722 A HA -0.102 4.220 4.320 0.004 0.000 0.219 722 A C 1.431 179.042 177.584 0.045 0.000 1.158 722 A CA 1.525 53.585 52.037 0.039 0.000 0.661 722 A CB -0.490 18.528 19.000 0.030 0.000 0.801 722 A HN 0.840 nan 8.150 nan 0.000 0.452 723 D N -1.049 119.372 120.400 0.035 0.000 2.328 723 D HA 0.340 4.983 4.640 0.004 0.000 0.221 723 D C 0.868 177.201 176.300 0.056 0.000 1.072 723 D CA 0.743 54.766 54.000 0.038 0.000 0.850 723 D CB -0.033 40.779 40.800 0.019 0.000 0.922 723 D HN 0.277 nan 8.370 nan 0.000 0.516 724 A N -0.207 122.659 122.820 0.076 0.000 2.431 724 A HA 0.136 4.459 4.320 0.004 0.000 0.239 724 A C 1.871 179.576 177.584 0.201 0.000 1.230 724 A CA -0.033 52.067 52.037 0.104 0.000 0.928 724 A CB 0.041 19.078 19.000 0.061 0.000 1.006 724 A HN 0.113 nan 8.150 nan 0.000 0.520 725 Q N 0.524 120.438 119.800 0.190 0.000 2.050 725 Q HA -0.166 4.176 4.340 0.004 0.000 0.202 725 Q C 1.839 177.993 176.000 0.256 0.000 0.980 725 Q CA 2.045 57.995 55.803 0.245 0.000 0.840 725 Q CB -0.098 28.788 28.738 0.246 0.000 0.898 725 Q HN 0.548 nan 8.270 nan 0.000 0.424 726 E N 0.119 120.465 120.200 0.243 0.000 2.106 726 E HA -0.176 4.177 4.350 0.004 0.000 0.192 726 E C 1.765 178.453 176.600 0.146 0.000 0.984 726 E CA 0.926 57.452 56.400 0.210 0.000 0.806 726 E CB -0.061 29.764 29.700 0.208 0.000 0.750 726 E HN 0.369 nan 8.360 nan 0.000 0.458 727 K N -0.003 120.494 120.400 0.162 0.000 2.057 727 K HA -0.176 4.147 4.320 0.004 0.000 0.207 727 K C 2.158 178.903 176.600 0.243 0.000 1.049 727 K CA 1.238 57.624 56.287 0.165 0.000 0.931 727 K CB -0.326 32.249 32.500 0.126 0.000 0.714 727 K HN 0.032 nan 8.250 nan 0.000 0.440 728 F N 1.158 121.243 119.950 0.226 0.000 2.102 728 F HA -0.190 4.340 4.527 0.004 0.000 0.298 728 F C 1.766 177.628 175.800 0.104 0.000 1.105 728 F CA 1.352 59.481 58.000 0.216 0.000 1.239 728 F CB -0.538 38.575 39.000 0.189 0.000 0.991 728 F HN -0.190 nan 8.300 nan 0.000 0.474 729 V N 1.407 121.206 119.914 -0.191 0.000 2.295 729 V HA -0.285 3.837 4.120 0.004 0.000 0.246 729 V C 2.700 178.688 176.094 -0.177 0.000 1.049 729 V CA 2.110 64.232 62.300 -0.297 0.000 1.024 729 V CB -0.663 31.012 31.823 -0.247 0.000 0.648 729 V HN 0.281 nan 8.190 nan 0.000 0.447 730 R N 0.138 120.598 120.500 -0.067 0.000 2.075 730 R HA -0.120 4.223 4.340 0.004 0.000 0.232 730 R C 1.956 178.234 176.300 -0.037 0.000 1.126 730 R CA 1.536 57.625 56.100 -0.019 0.000 0.963 730 R CB -1.014 29.301 30.300 0.026 0.000 0.858 730 R HN 0.525 nan 8.270 nan 0.000 0.435 731 D N 0.079 120.453 120.400 -0.042 0.000 2.178 731 D HA -0.138 4.504 4.640 0.004 0.000 0.201 731 D C 1.621 177.830 176.300 -0.152 0.000 0.980 731 D CA 0.723 54.693 54.000 -0.051 0.000 0.842 731 D CB -0.319 40.517 40.800 0.060 0.000 0.948 731 D HN 0.136 nan 8.370 nan 0.000 0.472 732 F N 1.034 120.734 119.950 -0.416 0.000 2.163 732 F HA -0.146 4.383 4.527 0.003 0.000 0.297 732 F C 2.106 177.813 175.800 -0.155 0.000 1.094 732 F CA 0.824 58.589 58.000 -0.392 0.000 1.290 732 F CB -0.130 38.441 39.000 -0.714 0.000 1.017 732 F HN -0.230 nan 8.300 nan 0.000 0.483 733 V N 0.660 120.545 119.914 -0.048 0.000 2.343 733 V HA -0.318 3.805 4.120 0.004 0.000 0.247 733 V C 2.731 178.799 176.094 -0.043 0.000 1.051 733 V CA 1.796 64.091 62.300 -0.009 0.000 1.036 733 V CB -1.473 30.372 31.823 0.037 0.000 0.654 733 V HN 0.495 nan 8.190 nan 0.000 0.451 734 A N -0.613 122.165 122.820 -0.071 0.000 1.877 734 A HA -0.175 4.148 4.320 0.004 0.000 0.216 734 A C 2.456 179.977 177.584 -0.105 0.000 1.186 734 A CA 2.029 54.030 52.037 -0.061 0.000 0.620 734 A CB -0.753 18.222 19.000 -0.042 0.000 0.822 734 A HN 0.346 nan 8.150 nan 0.000 0.443 735 V N -0.572 119.239 119.914 -0.173 0.000 2.427 735 V HA -0.183 3.939 4.120 0.004 0.000 0.248 735 V C 2.047 178.008 176.094 -0.221 0.000 1.051 735 V CA 1.961 64.144 62.300 -0.195 0.000 1.048 735 V CB -0.474 31.225 31.823 -0.207 0.000 0.666 735 V HN 0.798 nan 8.190 nan 0.000 0.456 736 W N 1.030 122.020 121.300 -0.517 0.000 2.355 736 W HA -0.284 4.378 4.660 0.003 0.000 0.309 736 W C 2.247 178.644 176.519 -0.202 0.000 1.206 736 W CA 2.164 59.267 57.345 -0.403 0.000 1.284 736 W CB -0.587 28.575 29.460 -0.496 0.000 1.145 736 W HN 0.496 nan 8.180 nan 0.000 0.502 737 N N 1.109 119.781 118.700 -0.047 0.000 2.104 737 N HA -0.269 4.474 4.740 0.004 0.000 0.190 737 N C 1.924 177.299 175.510 -0.224 0.000 1.024 737 N CA 2.575 55.559 53.050 -0.110 0.000 0.853 737 N CB -0.734 37.742 38.487 -0.017 0.000 1.008 737 N HN 0.164 nan 8.380 nan 0.000 0.424 738 K N -0.099 120.180 120.400 -0.202 0.000 2.044 738 K HA -0.122 4.201 4.320 0.004 0.000 0.210 738 K C 1.721 178.132 176.600 -0.315 0.000 1.049 738 K CA 1.576 57.728 56.287 -0.225 0.000 0.927 738 K CB -0.274 32.126 32.500 -0.167 0.000 0.713 738 K HN 0.061 nan 8.250 nan 0.000 0.443 739 V N 1.433 121.138 119.914 -0.348 0.000 2.343 739 V HA -0.249 3.873 4.120 0.004 0.000 0.247 739 V C 2.408 178.202 176.094 -0.500 0.000 1.051 739 V CA 1.499 63.551 62.300 -0.415 0.000 1.036 739 V CB -0.340 31.255 31.823 -0.380 0.000 0.654 739 V HN 0.430 nan 8.190 nan 0.000 0.451 740 M N 0.021 119.290 119.600 -0.551 0.000 2.358 740 M HA -0.053 4.429 4.480 0.004 0.000 0.264 740 M C 1.183 177.253 176.300 -0.383 0.000 1.064 740 M CA 1.263 56.277 55.300 -0.476 0.000 1.093 740 M CB -1.103 31.238 32.600 -0.432 0.000 1.401 740 M HN 0.362 nan 8.290 nan 0.000 0.440 741 N N -0.018 118.444 118.700 -0.396 0.000 2.214 741 N HA 0.223 4.965 4.740 0.004 0.000 0.214 741 N C 1.456 176.636 175.510 -0.550 0.000 1.132 741 N CA 0.052 52.859 53.050 -0.405 0.000 0.856 741 N CB 0.253 38.538 38.487 -0.337 0.000 1.020 741 N HN 0.315 nan 8.380 nan 0.000 0.509 742 L N 0.567 121.393 121.223 -0.662 0.000 2.131 742 L HA -0.169 4.173 4.340 0.004 0.000 0.210 742 L C 1.028 177.072 176.870 -1.376 0.000 1.092 742 L CA 1.306 55.523 54.840 -1.038 0.000 0.759 742 L CB -0.120 41.134 42.059 -1.342 0.000 0.903 742 L HN 0.127 nan 8.230 nan 0.000 0.435 743 D N -1.658 118.176 120.400 -0.943 0.000 2.358 743 D HA -0.052 4.591 4.640 0.004 0.000 0.224 743 D C 0.688 176.621 176.300 -0.612 0.000 1.123 743 D CA -0.072 53.564 54.000 -0.607 0.000 0.833 743 D CB -0.054 40.735 40.800 -0.018 0.000 0.946 743 D HN -0.022 nan 8.370 nan 0.000 0.505 744 R N 0.821 120.884 120.500 -0.727 0.000 4.496 744 R HA 0.192 4.535 4.340 0.004 0.000 0.211 744 R C -0.009 176.025 176.300 -0.444 0.000 1.738 744 R CA -0.364 55.467 56.100 -0.448 0.000 1.528 744 R CB -1.168 28.916 30.300 -0.361 0.000 1.414 744 R HN 0.261 nan 8.270 nan 0.000 0.812 745 F N 0.632 120.530 119.950 -0.086 0.000 2.748 745 F HA -0.097 4.432 4.527 0.003 0.000 0.299 745 F C 1.986 177.749 175.800 -0.061 0.000 1.154 745 F CA 0.514 58.480 58.000 -0.057 0.000 1.446 745 F CB 0.185 39.170 39.000 -0.025 0.000 1.112 745 F HN 0.266 nan 8.300 nan 0.000 0.584 746 D N 0.704 121.136 120.400 0.053 0.000 2.310 746 D HA -0.154 4.488 4.640 0.004 0.000 0.212 746 D C 1.499 177.776 176.300 -0.038 0.000 0.965 746 D CA 1.105 55.103 54.000 -0.003 0.000 0.879 746 D CB -0.386 40.394 40.800 -0.034 0.000 0.921 746 D HN 0.351 nan 8.370 nan 0.000 0.510 747 L N -0.155 121.025 121.223 -0.072 0.000 2.693 747 L HA 0.373 4.716 4.340 0.004 0.000 0.235 747 L C 1.463 178.295 176.870 -0.064 0.000 1.127 747 L CA -0.398 54.390 54.840 -0.087 0.000 0.914 747 L CB 0.099 42.076 42.059 -0.138 0.000 1.193 747 L HN -0.053 nan 8.230 nan 0.000 0.502 748 A N 0.000 122.803 122.820 -0.028 0.000 2.254 748 A HA 0.000 4.322 4.320 0.004 0.000 0.244 748 A CA 0.000 52.041 52.037 0.007 0.000 0.836 748 A CB 0.000 19.064 19.000 0.107 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486