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 2dv2_1_B DATA FIRST_RESID 35 DATA SEQUENCE NGTSNRDWWP NQLDLSILHR HSSLSDPMGK DFNYAQAFEK LDLAAVKRDL DATA SEQUENCE HALMTTSQDW WPADFGHYGG LFIRMAXHSA GTYRTADGRG GAGEGQQRFA DATA SEQUENCE PLNSWPENAN 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 -0.055 0.000 1.280 35 N CA 0.000 53.023 53.050 -0.045 0.000 0.885 35 N CB 0.000 38.467 38.487 -0.034 0.000 1.341 36 G N 0.333 109.108 108.800 -0.041 0.000 2.491 36 G HA2 0.456 4.418 3.960 0.003 0.000 0.238 36 G HA3 0.456 4.418 3.960 0.003 0.000 0.238 36 G C 0.223 175.074 174.900 -0.082 0.000 1.277 36 G CA 1.016 46.093 45.100 -0.038 0.000 0.851 36 G HN 0.992 nan 8.290 nan 0.000 0.573 37 T N 0.983 115.474 114.554 -0.106 0.000 2.851 37 T HA 0.432 4.784 4.350 0.003 0.000 0.298 37 T C 0.875 175.482 174.700 -0.155 0.000 0.977 37 T CA -0.085 61.858 62.100 -0.262 0.000 1.126 37 T CB 0.982 69.573 68.868 -0.462 0.000 0.916 37 T HN 0.803 nan 8.240 nan 0.000 0.529 38 S N 2.648 118.218 115.700 -0.216 0.000 2.739 38 S HA 0.387 4.859 4.470 0.003 0.000 0.306 38 S C 1.084 175.684 174.600 0.000 0.000 1.115 38 S CA -0.980 57.194 58.200 -0.044 0.000 0.985 38 S CB 1.024 64.207 63.200 -0.028 0.000 1.133 38 S HN 0.484 nan 8.310 nan 0.000 0.541 39 N N 0.794 119.619 118.700 0.207 0.000 2.166 39 N HA -0.087 4.655 4.740 0.003 0.000 0.186 39 N C 1.651 177.321 175.510 0.267 0.000 1.019 39 N CA 1.037 54.330 53.050 0.406 0.000 0.856 39 N CB -0.668 38.087 38.487 0.446 0.000 0.993 39 N HN 0.624 nan 8.380 nan 0.000 0.426 40 R N 1.202 121.776 120.500 0.123 0.000 2.091 40 R HA -0.085 4.257 4.340 0.003 0.000 0.238 40 R C 1.244 177.514 176.300 -0.049 0.000 1.136 40 R CA 1.421 57.557 56.100 0.060 0.000 0.959 40 R CB -0.198 30.119 30.300 0.030 0.000 0.856 40 R HN 0.209 nan 8.270 nan 0.000 0.437 41 D N -1.154 119.131 120.400 -0.192 0.000 2.104 41 D HA -0.206 4.436 4.640 0.003 0.000 0.194 41 D C 1.792 177.838 176.300 -0.424 0.000 0.994 41 D CA 1.378 55.159 54.000 -0.366 0.000 0.830 41 D CB -0.414 40.029 40.800 -0.595 0.000 0.959 41 D HN 0.371 nan 8.370 nan 0.000 0.452 42 W N -0.296 120.740 121.300 -0.441 0.000 2.407 42 W HA -0.028 4.634 4.660 0.003 0.000 0.305 42 W C 0.878 176.818 176.519 -0.965 0.000 1.196 42 W CA 0.028 56.806 57.345 -0.945 0.000 1.311 42 W CB 0.022 28.359 29.460 -1.871 0.000 1.135 42 W HN -0.055 nan 8.180 nan 0.000 0.514 43 W N 1.345 122.777 121.300 0.220 0.000 1.950 43 W HA 0.247 4.909 4.660 0.003 0.000 0.289 43 W C -1.895 174.667 176.519 0.073 0.000 0.883 43 W CA -1.837 55.582 57.345 0.122 0.000 2.031 43 W CB -0.569 28.947 29.460 0.093 0.000 2.266 43 W HN -0.143 nan 8.180 nan 0.000 0.400 44 P HA -0.159 nan 4.420 nan 0.000 0.223 44 P C 0.743 178.102 177.300 0.098 0.000 1.144 44 P CA 1.481 64.632 63.100 0.085 0.000 0.783 44 P CB 0.419 32.137 31.700 0.030 0.000 0.771 45 N N -0.975 117.800 118.700 0.125 0.000 2.203 45 N HA 0.044 4.786 4.740 0.003 0.000 0.207 45 N C 0.781 176.355 175.510 0.107 0.000 1.130 45 N CA 0.045 53.153 53.050 0.096 0.000 0.861 45 N CB 0.083 38.620 38.487 0.083 0.000 1.005 45 N HN 0.208 nan 8.380 nan 0.000 0.507 46 Q N 0.861 120.752 119.800 0.151 0.000 2.417 46 Q HA 0.236 4.578 4.340 0.003 0.000 0.241 46 Q C -0.569 175.509 176.000 0.131 0.000 1.008 46 Q CA -0.409 55.476 55.803 0.136 0.000 0.901 46 Q CB 0.603 29.423 28.738 0.137 0.000 1.259 46 Q HN 0.094 nan 8.270 nan 0.000 0.489 47 L N 2.400 123.720 121.223 0.162 0.000 2.380 47 L HA 0.209 4.551 4.340 0.003 0.000 0.273 47 L C -0.811 176.134 176.870 0.123 0.000 1.138 47 L CA 0.497 55.390 54.840 0.088 0.000 0.832 47 L CB 0.801 42.853 42.059 -0.011 0.000 1.124 47 L HN 0.667 nan 8.230 nan 0.000 0.454 48 D N 3.896 124.325 120.400 0.049 0.000 2.428 48 D HA 0.177 4.819 4.640 0.003 0.000 0.221 48 D C 0.849 177.145 176.300 -0.005 0.000 1.123 48 D CA 0.033 54.065 54.000 0.053 0.000 0.869 48 D CB 0.510 41.336 40.800 0.043 0.000 1.032 48 D HN 0.570 nan 8.370 nan 0.000 0.506 49 L N 2.408 123.635 121.223 0.007 0.000 2.492 49 L HA -0.054 4.288 4.340 0.003 0.000 0.223 49 L C 2.243 179.071 176.870 -0.070 0.000 1.132 49 L CA 0.427 55.235 54.840 -0.054 0.000 0.850 49 L CB -0.294 41.771 42.059 0.010 0.000 0.966 49 L HN 0.409 nan 8.230 nan 0.000 0.454 50 S N 0.907 116.623 115.700 0.026 0.000 2.419 50 S HA -0.218 4.254 4.470 0.003 0.000 0.235 50 S C 1.919 176.496 174.600 -0.038 0.000 1.019 50 S CA 1.228 59.455 58.200 0.045 0.000 0.982 50 S CB -0.827 62.414 63.200 0.068 0.000 0.789 50 S HN 0.615 nan 8.310 nan 0.000 0.490 51 I N -0.832 119.700 120.570 -0.062 0.000 2.454 51 I HA -0.025 4.147 4.170 0.003 0.000 0.254 51 I C 1.952 178.014 176.117 -0.092 0.000 1.156 51 I CA 1.299 62.566 61.300 -0.055 0.000 1.433 51 I CB -0.465 37.514 38.000 -0.035 0.000 1.082 51 I HN 0.217 nan 8.210 nan 0.000 0.432 52 L N 0.098 121.171 121.223 -0.251 0.000 2.492 52 L HA 0.028 4.370 4.340 0.003 0.000 0.223 52 L C 1.158 177.822 176.870 -0.343 0.000 1.132 52 L CA 0.794 55.430 54.840 -0.339 0.000 0.850 52 L CB -0.652 41.118 42.059 -0.482 0.000 0.966 52 L HN 0.404 nan 8.230 nan 0.000 0.454 53 H N -1.650 117.453 119.070 0.056 0.000 2.662 53 H HA 0.269 4.827 4.556 0.003 0.000 0.268 53 H C 0.320 175.662 175.328 0.023 0.000 1.152 53 H CA -0.539 55.538 56.048 0.049 0.000 1.072 53 H CB 0.527 30.314 29.762 0.042 0.000 1.660 53 H HN 0.023 nan 8.280 nan 0.000 0.584 54 R N 0.390 120.925 120.500 0.060 0.000 2.577 54 R HA 0.120 4.462 4.340 0.003 0.000 0.269 54 R C -0.116 176.189 176.300 0.008 0.000 1.084 54 R CA -0.337 55.710 56.100 -0.088 0.000 1.163 54 R CB 0.357 30.509 30.300 -0.246 0.000 1.100 54 R HN 0.609 nan 8.270 nan 0.000 0.547 55 H N -2.120 116.992 119.070 0.069 0.000 2.839 55 H HA -0.171 4.387 4.556 0.003 0.000 0.298 55 H C 0.176 175.571 175.328 0.112 0.000 1.224 55 H CA 0.642 56.748 56.048 0.097 0.000 1.144 55 H CB -1.697 28.116 29.762 0.085 0.000 1.372 55 H HN 0.690 nan 8.280 nan 0.000 0.408 56 S N -0.671 115.109 115.700 0.135 0.000 2.608 56 S HA 0.187 4.659 4.470 0.003 0.000 0.261 56 S C 1.918 176.586 174.600 0.113 0.000 1.314 56 S CA -0.230 58.041 58.200 0.120 0.000 0.992 56 S CB 1.565 64.816 63.200 0.084 0.000 0.935 56 S HN 0.586 nan 8.310 nan 0.000 0.564 57 S N 0.912 116.667 115.700 0.091 0.000 2.440 57 S HA -0.113 4.358 4.470 0.003 0.000 0.238 57 S C 1.709 176.331 174.600 0.037 0.000 1.010 57 S CA 1.101 59.344 58.200 0.070 0.000 0.972 57 S CB -1.038 62.197 63.200 0.058 0.000 0.774 57 S HN 0.662 nan 8.310 nan 0.000 0.501 58 L N 2.008 123.250 121.223 0.032 0.000 2.056 58 L HA -0.056 4.286 4.340 0.003 0.000 0.207 58 L C 2.939 179.806 176.870 -0.005 0.000 1.078 58 L CA 1.488 56.333 54.840 0.009 0.000 0.749 58 L CB -0.831 41.233 42.059 0.009 0.000 0.901 58 L HN 0.563 nan 8.230 nan 0.000 0.433 59 S N -2.289 113.419 115.700 0.013 0.000 2.562 59 S HA -0.039 4.433 4.470 0.003 0.000 0.221 59 S C 0.599 175.190 174.600 -0.015 0.000 0.975 59 S CA -0.202 58.006 58.200 0.013 0.000 0.918 59 S CB -0.302 62.918 63.200 0.033 0.000 0.772 59 S HN 0.273 nan 8.310 nan 0.000 0.531 60 D N 2.924 123.293 120.400 -0.053 0.000 2.280 60 D HA 0.310 4.952 4.640 0.003 0.000 0.243 60 D C -1.437 174.641 176.300 -0.372 0.000 1.129 60 D CA -2.279 51.578 54.000 -0.238 0.000 0.848 60 D CB 1.756 42.556 40.800 0.001 0.000 1.107 60 D HN 0.050 nan 8.370 nan 0.000 0.471 61 P HA 0.017 nan 4.420 nan 0.000 0.236 61 P C 0.261 177.324 177.300 -0.394 0.000 1.177 61 P CA 0.153 62.950 63.100 -0.505 0.000 0.773 61 P CB 0.254 31.561 31.700 -0.654 0.000 0.878 62 M N 0.275 119.636 119.600 -0.397 0.000 2.288 62 M HA 0.356 4.838 4.480 0.003 0.000 0.334 62 M C 1.306 177.567 176.300 -0.066 0.000 1.150 62 M CA -1.091 54.052 55.300 -0.261 0.000 1.118 62 M CB -0.150 32.272 32.600 -0.296 0.000 1.501 62 M HN -0.183 nan 8.290 nan 0.000 0.462 63 G N 1.411 110.212 108.800 0.001 0.000 2.732 63 G HA2 0.039 4.001 3.960 0.003 0.000 0.244 63 G HA3 0.039 4.001 3.960 0.003 0.000 0.244 63 G C 0.676 175.654 174.900 0.129 0.000 1.226 63 G CA -0.288 44.852 45.100 0.067 0.000 0.860 63 G HN 0.781 nan 8.290 nan 0.000 0.583 64 K N -0.555 119.905 120.400 0.100 0.000 2.148 64 K HA -0.013 4.309 4.320 0.003 0.000 0.204 64 K C 1.529 178.205 176.600 0.127 0.000 1.050 64 K CA 1.245 57.594 56.287 0.105 0.000 0.942 64 K CB 0.220 32.762 32.500 0.071 0.000 0.724 64 K HN 0.382 nan 8.250 nan 0.000 0.446 65 D N -0.525 119.953 120.400 0.130 0.000 2.328 65 D HA -0.037 4.605 4.640 0.003 0.000 0.221 65 D C -0.375 176.023 176.300 0.164 0.000 1.072 65 D CA -0.030 54.041 54.000 0.119 0.000 0.850 65 D CB -0.085 40.770 40.800 0.092 0.000 0.922 65 D HN 0.035 nan 8.370 nan 0.000 0.516 66 F N 2.387 122.388 119.950 0.086 0.000 2.543 66 F HA 0.143 4.672 4.527 0.004 0.000 0.375 66 F C 0.373 176.258 175.800 0.142 0.000 1.075 66 F CA -0.442 57.627 58.000 0.116 0.000 1.225 66 F CB 0.347 39.428 39.000 0.135 0.000 1.099 66 F HN -0.276 nan 8.300 nan 0.000 0.561 67 N N 6.179 124.508 118.700 -0.618 0.000 2.518 67 N HA 0.012 4.754 4.740 0.003 0.000 0.254 67 N C 0.267 175.309 175.510 -0.781 0.000 0.979 67 N CA -0.365 52.383 53.050 -0.502 0.000 0.930 67 N CB 0.458 38.822 38.487 -0.204 0.000 1.152 67 N HN 0.796 nan 8.380 nan 0.000 0.505 68 Y N 4.608 124.445 120.300 -0.772 0.000 2.242 68 Y HA -0.030 4.522 4.550 0.003 0.000 0.291 68 Y C 1.961 177.804 175.900 -0.095 0.000 1.137 68 Y CA 2.060 59.906 58.100 -0.423 0.000 1.181 68 Y CB -0.231 38.216 38.460 -0.022 0.000 0.989 68 Y HN 0.631 nan 8.280 nan 0.000 0.527 69 A N 0.349 123.011 122.820 -0.263 0.000 1.892 69 A HA -0.295 4.027 4.320 0.003 0.000 0.218 69 A C 2.145 179.633 177.584 -0.160 0.000 1.188 69 A CA 2.187 54.093 52.037 -0.217 0.000 0.631 69 A CB -0.817 18.136 19.000 -0.079 0.000 0.822 69 A HN 0.670 nan 8.150 nan 0.000 0.447 70 Q N -0.889 118.823 119.800 -0.147 0.000 2.119 70 Q HA -0.051 4.291 4.340 0.003 0.000 0.201 70 Q C 2.436 178.392 176.000 -0.073 0.000 0.972 70 Q CA 1.233 56.982 55.803 -0.090 0.000 0.847 70 Q CB -0.363 28.331 28.738 -0.072 0.000 0.903 70 Q HN 0.706 nan 8.270 nan 0.000 0.433 71 A N 0.576 123.345 122.820 -0.085 0.000 1.855 71 A HA -0.197 4.125 4.320 0.003 0.000 0.215 71 A C 1.860 179.423 177.584 -0.034 0.000 1.191 71 A CA 1.126 53.184 52.037 0.037 0.000 0.613 71 A CB -0.869 18.299 19.000 0.280 0.000 0.829 71 A HN 0.442 nan 8.150 nan 0.000 0.442 72 F N 1.025 120.759 119.950 -0.359 0.000 2.126 72 F HA -0.191 4.338 4.527 0.004 0.000 0.299 72 F C 2.149 177.856 175.800 -0.155 0.000 1.096 72 F CA 2.246 60.049 58.000 -0.329 0.000 1.255 72 F CB -0.247 38.386 39.000 -0.611 0.000 0.997 72 F HN 0.373 nan 8.300 nan 0.000 0.479 73 E N -0.360 119.778 120.200 -0.104 0.000 2.268 73 E HA -0.191 4.161 4.350 0.003 0.000 0.195 73 E C 1.599 178.106 176.600 -0.155 0.000 0.995 73 E CA 0.925 57.258 56.400 -0.111 0.000 0.836 73 E CB -0.073 29.616 29.700 -0.019 0.000 0.763 73 E HN 0.423 nan 8.360 nan 0.000 0.491 74 K N 0.322 120.640 120.400 -0.138 0.000 2.404 74 K HA 0.072 4.394 4.320 0.003 0.000 0.194 74 K C 0.033 176.555 176.600 -0.130 0.000 1.023 74 K CA -0.277 55.949 56.287 -0.101 0.000 1.094 74 K CB 0.341 32.818 32.500 -0.039 0.000 0.841 74 K HN -0.025 nan 8.250 nan 0.000 0.523 75 L N 1.979 123.048 121.223 -0.256 0.000 2.410 75 L HA 0.051 4.393 4.340 0.003 0.000 0.273 75 L C -0.099 176.626 176.870 -0.241 0.000 1.152 75 L CA 0.160 54.843 54.840 -0.262 0.000 0.855 75 L CB 0.568 42.328 42.059 -0.498 0.000 1.129 75 L HN -0.007 nan 8.230 nan 0.000 0.463 76 D N 4.146 124.465 120.400 -0.135 0.000 2.489 76 D HA -0.045 4.597 4.640 0.003 0.000 0.237 76 D C 1.100 177.279 176.300 -0.201 0.000 1.212 76 D CA 0.057 53.987 54.000 -0.117 0.000 1.058 76 D CB 0.222 41.016 40.800 -0.010 0.000 1.098 76 D HN 0.636 nan 8.370 nan 0.000 0.509 77 L N 4.070 125.161 121.223 -0.220 0.000 2.079 77 L HA -0.129 4.213 4.340 0.003 0.000 0.210 77 L C 2.136 178.916 176.870 -0.150 0.000 1.081 77 L CA 2.053 56.769 54.840 -0.206 0.000 0.752 77 L CB -0.511 41.472 42.059 -0.127 0.000 0.896 77 L HN 0.380 nan 8.230 nan 0.000 0.433 78 A N -0.649 122.113 122.820 -0.097 0.000 1.908 78 A HA -0.156 4.166 4.320 0.003 0.000 0.218 78 A C 2.439 179.994 177.584 -0.049 0.000 1.181 78 A CA 1.919 53.922 52.037 -0.057 0.000 0.627 78 A CB -1.105 17.873 19.000 -0.037 0.000 0.818 78 A HN 0.559 nan 8.150 nan 0.000 0.445 79 A N -0.632 122.157 122.820 -0.051 0.000 1.897 79 A HA 0.077 4.399 4.320 0.003 0.000 0.215 79 A C 2.211 179.786 177.584 -0.016 0.000 1.181 79 A CA 1.585 53.633 52.037 0.018 0.000 0.620 79 A CB -0.878 18.190 19.000 0.113 0.000 0.821 79 A HN 0.395 nan 8.150 nan 0.000 0.443 80 V N 0.474 120.207 119.914 -0.301 0.000 2.287 80 V HA -0.315 3.807 4.120 0.003 0.000 0.248 80 V C 2.433 178.426 176.094 -0.168 0.000 1.053 80 V CA 2.426 64.457 62.300 -0.448 0.000 1.027 80 V CB -0.794 30.607 31.823 -0.705 0.000 0.646 80 V HN 0.535 nan 8.190 nan 0.000 0.447 81 K N -0.240 120.085 120.400 -0.126 0.000 2.057 81 K HA -0.160 4.162 4.320 0.003 0.000 0.207 81 K C 2.419 179.083 176.600 0.107 0.000 1.049 81 K CA 1.411 57.675 56.287 -0.037 0.000 0.931 81 K CB -0.272 32.223 32.500 -0.008 0.000 0.714 81 K HN 0.406 nan 8.250 nan 0.000 0.440 82 R N 0.939 121.492 120.500 0.088 0.000 2.083 82 R HA -0.147 4.195 4.340 0.003 0.000 0.237 82 R C 1.876 178.239 176.300 0.106 0.000 1.137 82 R CA 1.680 57.841 56.100 0.102 0.000 0.951 82 R CB -0.326 30.000 30.300 0.043 0.000 0.851 82 R HN 0.236 nan 8.270 nan 0.000 0.434 83 D N 0.766 121.214 120.400 0.080 0.000 2.123 83 D HA -0.140 4.502 4.640 0.003 0.000 0.196 83 D C 2.026 178.354 176.300 0.047 0.000 0.992 83 D CA 1.044 55.091 54.000 0.079 0.000 0.833 83 D CB -0.182 40.695 40.800 0.128 0.000 0.954 83 D HN 0.183 nan 8.370 nan 0.000 0.455 84 L N 0.260 121.480 121.223 -0.005 0.000 2.046 84 L HA -0.174 4.168 4.340 0.003 0.000 0.208 84 L C 2.544 179.380 176.870 -0.057 0.000 1.077 84 L CA 1.007 55.795 54.840 -0.086 0.000 0.747 84 L CB -0.472 41.475 42.059 -0.188 0.000 0.896 84 L HN 0.187 nan 8.230 nan 0.000 0.432 85 H N -0.188 118.870 119.070 -0.019 0.000 2.319 85 H HA -0.184 4.374 4.556 0.003 0.000 0.297 85 H C 2.251 177.583 175.328 0.006 0.000 1.097 85 H CA 1.762 57.812 56.048 0.002 0.000 1.285 85 H CB 0.002 29.766 29.762 0.004 0.000 1.368 85 H HN 0.386 nan 8.280 nan 0.000 0.495 86 A N 0.961 123.865 122.820 0.138 0.000 1.933 86 A HA -0.133 4.189 4.320 0.003 0.000 0.218 86 A C 2.497 180.130 177.584 0.081 0.000 1.175 86 A CA 1.264 53.354 52.037 0.088 0.000 0.628 86 A CB -0.711 18.332 19.000 0.071 0.000 0.814 86 A HN 0.306 nan 8.150 nan 0.000 0.444 87 L N -0.827 120.453 121.223 0.094 0.000 2.131 87 L HA -0.127 4.215 4.340 0.003 0.000 0.210 87 L C 2.217 179.229 176.870 0.236 0.000 1.092 87 L CA 1.704 56.637 54.840 0.155 0.000 0.759 87 L CB -0.515 41.623 42.059 0.132 0.000 0.903 87 L HN 0.291 nan 8.230 nan 0.000 0.435 88 M N -0.530 119.149 119.600 0.131 0.000 2.144 88 M HA -0.140 4.342 4.480 0.003 0.000 0.260 88 M C 1.737 177.946 176.300 -0.153 0.000 1.067 88 M CA 2.058 57.375 55.300 0.029 0.000 1.095 88 M CB -1.735 30.698 32.600 -0.278 0.000 1.365 88 M HN 0.601 nan 8.290 nan 0.000 0.406 89 T N -4.065 110.412 114.554 -0.129 0.000 3.174 89 T HA 0.168 4.520 4.350 0.003 0.000 0.269 89 T C 0.288 174.957 174.700 -0.051 0.000 1.017 89 T CA -0.282 61.732 62.100 -0.144 0.000 0.899 89 T CB -0.385 68.419 68.868 -0.107 0.000 1.077 89 T HN 0.089 nan 8.240 nan 0.000 0.552 90 T N 2.541 117.125 114.554 0.049 0.000 3.145 90 T HA 0.422 4.774 4.350 0.003 0.000 0.348 90 T C 0.087 174.870 174.700 0.139 0.000 1.299 90 T CA -0.320 61.830 62.100 0.083 0.000 1.037 90 T CB 0.565 69.501 68.868 0.114 0.000 1.122 90 T HN 0.351 nan 8.240 nan 0.000 0.600 91 S N 3.454 119.155 115.700 0.002 0.000 2.531 91 S HA 0.180 4.652 4.470 0.003 0.000 0.279 91 S C 0.014 174.625 174.600 0.017 0.000 1.305 91 S CA -0.615 57.559 58.200 -0.044 0.000 1.058 91 S CB 0.319 63.417 63.200 -0.171 0.000 0.899 91 S HN 0.439 nan 8.310 nan 0.000 0.493 92 Q N 3.135 122.926 119.800 -0.014 0.000 2.256 92 Q HA 0.251 4.593 4.340 0.003 0.000 0.257 92 Q C 0.197 176.024 176.000 -0.287 0.000 0.936 92 Q CA -0.645 55.019 55.803 -0.230 0.000 0.903 92 Q CB 1.501 29.838 28.738 -0.669 0.000 1.263 92 Q HN 0.681 nan 8.270 nan 0.000 0.440 93 D N 1.597 121.920 120.400 -0.129 0.000 2.219 93 D HA -0.134 4.508 4.640 0.003 0.000 0.205 93 D C 1.630 177.949 176.300 0.032 0.000 0.970 93 D CA 0.878 54.859 54.000 -0.031 0.000 0.851 93 D CB 0.112 40.943 40.800 0.052 0.000 0.943 93 D HN 0.697 nan 8.370 nan 0.000 0.488 94 W N -1.342 120.049 121.300 0.151 0.000 2.595 94 W HA 0.001 4.663 4.660 0.003 0.000 0.257 94 W C 0.356 177.086 176.519 0.352 0.000 1.267 94 W CA -0.114 57.347 57.345 0.194 0.000 1.300 94 W CB -0.536 29.025 29.460 0.170 0.000 1.120 94 W HN -0.023 nan 8.180 nan 0.000 0.618 95 W N 3.245 124.375 121.300 -0.284 0.000 1.982 95 W HA 0.246 4.908 4.660 0.003 0.000 0.299 95 W C -2.882 173.580 176.519 -0.095 0.000 1.011 95 W CA -1.902 55.355 57.345 -0.147 0.000 1.324 95 W CB 0.650 30.027 29.460 -0.138 0.000 1.372 95 W HN -0.363 nan 8.180 nan 0.000 0.323 96 P HA 0.053 nan 4.420 nan 0.000 0.266 96 P C -0.063 177.170 177.300 -0.111 0.000 1.195 96 P CA 0.507 63.526 63.100 -0.136 0.000 0.768 96 P CB 0.815 32.449 31.700 -0.111 0.000 0.838 97 A N 2.981 125.619 122.820 -0.303 0.000 2.451 97 A HA 0.127 4.449 4.320 0.003 0.000 0.266 97 A C 0.101 177.457 177.584 -0.380 0.000 1.119 97 A CA -0.224 51.460 52.037 -0.589 0.000 0.786 97 A CB -0.528 17.733 19.000 -1.231 0.000 1.061 97 A HN 0.436 nan 8.150 nan 0.000 0.503 98 D N 1.823 122.047 120.400 -0.295 0.000 2.488 98 D HA 0.182 4.824 4.640 0.003 0.000 0.238 98 D C 0.517 176.512 176.300 -0.509 0.000 1.138 98 D CA 0.668 54.279 54.000 -0.647 0.000 0.873 98 D CB -0.176 40.485 40.800 -0.231 0.000 1.183 98 D HN 0.515 nan 8.370 nan 0.000 0.458 99 F N 0.370 119.982 119.950 -0.563 0.000 3.021 99 F HA -0.272 4.257 4.527 0.003 0.000 0.294 99 F C 1.589 177.267 175.800 -0.203 0.000 0.761 99 F CA 0.608 58.428 58.000 -0.300 0.000 1.102 99 F CB -1.949 36.965 39.000 -0.143 0.000 1.380 99 F HN 0.638 nan 8.300 nan 0.000 0.387 100 G N -0.976 107.713 108.800 -0.185 0.000 2.162 100 G HA2 -0.311 3.651 3.960 0.003 0.000 0.260 100 G HA3 -0.311 3.651 3.960 0.003 0.000 0.260 100 G C -0.152 174.695 174.900 -0.088 0.000 0.976 100 G CA 0.356 45.376 45.100 -0.133 0.000 0.655 100 G HN 0.964 nan 8.290 nan 0.000 0.533 101 H N -1.566 117.408 119.070 -0.161 0.000 3.017 101 H HA 0.403 4.961 4.556 0.003 0.000 0.340 101 H C -0.077 175.214 175.328 -0.061 0.000 1.014 101 H CA -0.831 55.174 56.048 -0.072 0.000 1.341 101 H CB 0.792 30.583 29.762 0.048 0.000 1.739 101 H HN 0.026 nan 8.280 nan 0.000 0.506 102 Y N 2.865 123.258 120.300 0.153 0.000 2.553 102 Y HA 0.054 4.606 4.550 0.003 0.000 0.303 102 Y C 2.191 178.155 175.900 0.107 0.000 1.194 102 Y CA 0.802 58.904 58.100 0.003 0.000 1.305 102 Y CB -0.030 38.273 38.460 -0.262 0.000 1.045 102 Y HN 0.801 nan 8.280 nan 0.000 0.514 103 G N 0.260 109.418 108.800 0.596 0.000 2.491 103 G HA2 -0.290 3.672 3.960 0.003 0.000 0.218 103 G HA3 -0.290 3.672 3.960 0.003 0.000 0.218 103 G C 2.092 177.102 174.900 0.184 0.000 1.180 103 G CA 1.010 46.342 45.100 0.386 0.000 0.774 103 G HN 0.499 nan 8.290 nan 0.000 0.562 104 G N 0.851 109.757 108.800 0.178 0.000 2.491 104 G HA2 -0.225 3.737 3.960 0.003 0.000 0.218 104 G HA3 -0.225 3.737 3.960 0.003 0.000 0.218 104 G C 1.785 176.800 174.900 0.192 0.000 1.180 104 G CA 1.205 46.427 45.100 0.204 0.000 0.774 104 G HN 0.438 nan 8.290 nan 0.000 0.562 105 L N -0.365 120.954 121.223 0.160 0.000 2.013 105 L HA -0.009 4.333 4.340 0.003 0.000 0.212 105 L C 2.511 179.408 176.870 0.046 0.000 1.073 105 L CA 1.738 56.614 54.840 0.060 0.000 0.753 105 L CB -0.622 41.413 42.059 -0.039 0.000 0.890 105 L HN 0.185 nan 8.230 nan 0.000 0.432 106 F N -0.766 119.270 119.950 0.145 0.000 2.325 106 F HA -0.043 4.486 4.527 0.003 0.000 0.299 106 F C 2.300 178.160 175.800 0.101 0.000 1.090 106 F CA 0.858 58.917 58.000 0.100 0.000 1.392 106 F CB -0.659 38.393 39.000 0.087 0.000 1.053 106 F HN 0.057 nan 8.300 nan 0.000 0.521 107 I N -0.475 120.237 120.570 0.235 0.000 2.252 107 I HA -0.252 3.920 4.170 0.003 0.000 0.245 107 I C 2.688 178.967 176.117 0.269 0.000 1.102 107 I CA 1.050 62.454 61.300 0.172 0.000 1.385 107 I CB -0.404 37.562 38.000 -0.056 0.000 1.064 107 I HN -0.001 nan 8.210 nan 0.000 0.414 108 R N 1.123 121.738 120.500 0.192 0.000 2.091 108 R HA -0.233 4.109 4.340 0.003 0.000 0.238 108 R C 2.431 178.754 176.300 0.039 0.000 1.136 108 R CA 1.788 57.951 56.100 0.105 0.000 0.959 108 R CB -0.271 30.033 30.300 0.006 0.000 0.856 108 R HN 0.307 nan 8.270 nan 0.000 0.437 109 M N 0.641 120.296 119.600 0.090 0.000 2.080 109 M HA -0.091 4.391 4.480 0.003 0.000 0.260 109 M C 0.924 177.320 176.300 0.159 0.000 1.068 109 M CA 1.725 57.087 55.300 0.103 0.000 1.109 109 M CB -0.271 32.446 32.600 0.195 0.000 1.342 109 M HN 0.236 nan 8.290 nan 0.000 0.405 113 S N 1.175 116.903 115.700 0.048 0.000 2.348 113 S HA -0.108 4.364 4.470 0.003 0.000 0.221 113 S C 2.215 176.761 174.600 -0.089 0.000 1.033 113 S CA 1.518 59.691 58.200 -0.046 0.000 1.010 113 S CB -0.157 63.020 63.200 -0.038 0.000 0.891 113 S HN 0.460 nan 8.310 nan 0.000 0.442 114 A N 0.449 123.200 122.820 -0.116 0.000 1.969 114 A HA 0.193 4.515 4.320 0.003 0.000 0.218 114 A C 2.223 179.754 177.584 -0.088 0.000 1.169 114 A CA 1.529 53.468 52.037 -0.162 0.000 0.635 114 A CB -1.314 17.520 19.000 -0.276 0.000 0.810 114 A HN 0.634 nan 8.150 nan 0.000 0.445 115 G N -0.570 108.167 108.800 -0.105 0.000 2.679 115 G HA2 -0.005 3.957 3.960 0.003 0.000 0.212 115 G HA3 -0.005 3.957 3.960 0.003 0.000 0.212 115 G C 1.364 176.107 174.900 -0.262 0.000 1.137 115 G CA 1.456 46.429 45.100 -0.212 0.000 0.787 115 G HN 0.655 nan 8.290 nan 0.000 0.534 116 T N -2.867 111.638 114.554 -0.082 0.000 3.148 116 T HA 0.076 4.428 4.350 0.003 0.000 0.253 116 T C 0.871 175.720 174.700 0.247 0.000 1.134 116 T CA -0.467 61.674 62.100 0.070 0.000 1.051 116 T CB -0.294 68.580 68.868 0.009 0.000 0.959 116 T HN 0.167 nan 8.240 nan 0.000 0.525 117 Y N 3.184 123.519 120.300 0.058 0.000 2.511 117 Y HA 0.395 4.947 4.550 0.002 0.000 0.332 117 Y C 0.046 175.994 175.900 0.080 0.000 1.177 117 Y CA -0.908 57.222 58.100 0.050 0.000 1.422 117 Y CB 0.391 38.840 38.460 -0.018 0.000 1.271 117 Y HN 0.058 nan 8.280 nan 0.000 0.550 118 R N 3.376 123.519 120.500 -0.595 0.000 2.439 118 R HA 0.220 4.562 4.340 0.003 0.000 0.310 118 R C 0.849 176.641 176.300 -0.847 0.000 0.955 118 R CA -0.415 55.390 56.100 -0.493 0.000 0.853 118 R CB 1.460 31.620 30.300 -0.234 0.000 1.171 118 R HN 0.744 nan 8.270 nan 0.000 0.449 119 T N 1.305 115.529 114.554 -0.550 0.000 2.881 119 T HA -0.128 4.224 4.350 0.003 0.000 0.270 119 T C 1.804 176.383 174.700 -0.203 0.000 1.068 119 T CA 1.874 63.784 62.100 -0.317 0.000 1.131 119 T CB 0.002 68.846 68.868 -0.041 0.000 0.871 119 T HN 0.666 nan 8.240 nan 0.000 0.479 120 A N 1.896 124.607 122.820 -0.181 0.000 1.883 120 A HA -0.129 4.193 4.320 0.003 0.000 0.217 120 A C 1.944 179.440 177.584 -0.146 0.000 1.186 120 A CA 2.302 54.258 52.037 -0.134 0.000 0.624 120 A CB -0.429 18.503 19.000 -0.114 0.000 0.822 120 A HN 0.763 nan 8.150 nan 0.000 0.444 121 D N -4.404 115.885 120.400 -0.184 0.000 2.500 121 D HA 0.287 4.929 4.640 0.003 0.000 0.218 121 D C 1.130 177.326 176.300 -0.174 0.000 1.140 121 D CA 0.994 54.896 54.000 -0.165 0.000 0.830 121 D CB -0.539 40.167 40.800 -0.156 0.000 1.055 121 D HN 0.914 nan 8.370 nan 0.000 0.512 122 G N 0.933 109.582 108.800 -0.252 0.000 2.189 122 G HA2 -0.361 3.601 3.960 0.003 0.000 0.267 122 G HA3 -0.361 3.601 3.960 0.003 0.000 0.267 122 G C 0.374 175.195 174.900 -0.130 0.000 0.975 122 G CA 0.308 45.283 45.100 -0.209 0.000 0.644 122 G HN 0.461 nan 8.290 nan 0.000 0.537 123 R N 0.236 120.627 120.500 -0.182 0.000 2.707 123 R HA 0.506 4.848 4.340 0.003 0.000 0.270 123 R C 1.284 177.553 176.300 -0.052 0.000 1.083 123 R CA 0.515 56.539 56.100 -0.127 0.000 1.182 123 R CB 0.221 30.392 30.300 -0.215 0.000 1.084 123 R HN 1.432 nan 8.270 nan 0.000 0.528 124 G N -0.436 108.397 108.800 0.055 0.000 2.750 124 G HA2 0.118 4.080 3.960 0.003 0.000 0.228 124 G HA3 0.118 4.080 3.960 0.003 0.000 0.228 124 G C 0.145 175.175 174.900 0.216 0.000 1.367 124 G CA -0.323 44.911 45.100 0.224 0.000 0.871 124 G HN 1.176 nan 8.290 nan 0.000 0.560 125 G N -2.871 106.039 108.800 0.184 0.000 2.655 125 G HA2 0.439 4.401 3.960 0.003 0.000 0.680 125 G HA3 0.439 4.401 3.960 0.003 0.000 0.680 125 G C 0.964 175.835 174.900 -0.048 0.000 1.302 125 G CA 1.124 46.260 45.100 0.060 0.000 0.872 125 G HN 2.467 nan 8.290 nan 0.000 0.540 126 A N -0.512 122.224 122.820 -0.139 0.000 2.123 126 A HA 0.474 4.796 4.320 0.003 0.000 0.214 126 A C 2.611 180.102 177.584 -0.155 0.000 1.152 126 A CA 1.911 53.853 52.037 -0.158 0.000 0.728 126 A CB -0.520 18.346 19.000 -0.224 0.000 0.814 126 A HN 2.312 nan 8.150 nan 0.000 0.464 127 G N -0.228 108.476 108.800 -0.159 0.000 2.509 127 G HA2 -0.093 3.869 3.960 0.003 0.000 0.218 127 G HA3 -0.093 3.869 3.960 0.003 0.000 0.218 127 G C 1.040 175.863 174.900 -0.130 0.000 1.124 127 G CA 0.889 45.891 45.100 -0.163 0.000 0.776 127 G HN 0.663 nan 8.290 nan 0.000 0.547 128 E N -0.790 119.348 120.200 -0.102 0.000 2.583 128 E HA 0.291 4.643 4.350 0.003 0.000 0.213 128 E C 1.401 177.949 176.600 -0.087 0.000 0.989 128 E CA 0.029 56.370 56.400 -0.099 0.000 0.991 128 E CB 0.632 30.281 29.700 -0.085 0.000 1.040 128 E HN 0.248 nan 8.360 nan 0.000 0.481 129 G N 2.410 111.154 108.800 -0.093 0.000 2.283 129 G HA2 -0.337 3.625 3.960 0.003 0.000 0.280 129 G HA3 -0.337 3.625 3.960 0.003 0.000 0.280 129 G C 0.900 175.713 174.900 -0.145 0.000 1.029 129 G CA 0.320 45.353 45.100 -0.112 0.000 0.840 129 G HN 0.207 nan 8.290 nan 0.000 0.505 130 Q N -0.814 118.952 119.800 -0.058 0.000 2.500 130 Q HA -0.055 4.287 4.340 0.003 0.000 0.213 130 Q C 2.322 178.242 176.000 -0.133 0.000 0.974 130 Q CA 1.281 57.097 55.803 0.022 0.000 0.918 130 Q CB 0.001 28.782 28.738 0.072 0.000 0.980 130 Q HN 0.904 nan 8.270 nan 0.000 0.505 131 Q N 1.132 120.802 119.800 -0.216 0.000 2.291 131 Q HA -0.154 4.188 4.340 0.003 0.000 0.206 131 Q C 1.721 177.521 176.000 -0.334 0.000 0.976 131 Q CA 0.937 56.584 55.803 -0.261 0.000 0.875 131 Q CB 0.135 28.754 28.738 -0.198 0.000 0.927 131 Q HN 0.364 nan 8.270 nan 0.000 0.450 132 R N -1.222 118.972 120.500 -0.511 0.000 2.313 132 R HA 0.091 4.433 4.340 0.003 0.000 0.199 132 R C -0.333 175.549 176.300 -0.697 0.000 0.958 132 R CA 0.007 55.679 56.100 -0.713 0.000 1.047 132 R CB 0.144 29.809 30.300 -1.058 0.000 0.955 132 R HN 0.018 nan 8.270 nan 0.000 0.481 133 F N 0.484 120.308 119.950 -0.211 0.000 2.575 133 F HA 0.600 5.128 4.527 0.003 0.000 0.330 133 F C 0.449 176.163 175.800 -0.143 0.000 1.056 133 F CA -1.623 56.287 58.000 -0.150 0.000 0.964 133 F CB 1.256 40.195 39.000 -0.102 0.000 1.258 133 F HN -0.090 nan 8.300 nan 0.000 0.484 134 A N 1.829 124.728 122.820 0.132 0.000 2.407 134 A HA 0.333 4.655 4.320 0.003 0.000 0.248 134 A C -1.819 175.803 177.584 0.064 0.000 1.082 134 A CA -0.981 51.089 52.037 0.054 0.000 0.785 134 A CB -0.212 18.829 19.000 0.068 0.000 1.020 134 A HN 0.556 nan 8.150 nan 0.000 0.489 135 P HA 0.056 nan 4.420 nan 0.000 0.245 135 P C 1.117 178.241 177.300 -0.294 0.000 1.203 135 P CA 0.421 63.531 63.100 0.016 0.000 0.792 135 P CB 0.132 31.976 31.700 0.240 0.000 0.997 136 L N 0.922 121.795 121.223 -0.584 0.000 2.201 136 L HA -0.141 4.201 4.340 0.003 0.000 0.212 136 L C 2.247 178.858 176.870 -0.432 0.000 1.105 136 L CA 1.542 55.815 54.840 -0.945 0.000 0.775 136 L CB -1.192 40.349 42.059 -0.864 0.000 0.913 136 L HN 0.111 nan 8.230 nan 0.000 0.440 137 N N -1.243 117.308 118.700 -0.248 0.000 2.443 137 N HA -0.159 4.582 4.740 0.003 0.000 0.184 137 N C 1.199 176.702 175.510 -0.011 0.000 1.037 137 N CA 1.323 54.290 53.050 -0.139 0.000 0.896 137 N CB -0.275 38.109 38.487 -0.172 0.000 0.959 137 N HN 0.088 nan 8.380 nan 0.000 0.442 138 S N -1.903 113.782 115.700 -0.026 0.000 2.780 138 S HA 0.174 4.646 4.470 0.003 0.000 0.248 138 S C -0.710 173.923 174.600 0.055 0.000 1.036 138 S CA -0.797 57.391 58.200 -0.019 0.000 1.061 138 S CB 0.125 63.230 63.200 -0.158 0.000 1.037 138 S HN 0.239 nan 8.310 nan 0.000 0.584 139 W N 3.325 124.510 121.300 -0.190 0.000 2.193 139 W HA 0.226 4.888 4.660 0.003 0.000 0.338 139 W C -1.995 174.389 176.519 -0.224 0.000 1.310 139 W CA -1.884 55.232 57.345 -0.381 0.000 1.243 139 W CB -0.247 29.064 29.460 -0.248 0.000 1.165 139 W HN 0.101 nan 8.180 nan 0.000 0.566 140 P HA -0.228 nan 4.420 nan 0.000 0.216 140 P C 1.146 178.368 177.300 -0.131 0.000 1.150 140 P CA 1.920 64.951 63.100 -0.116 0.000 0.837 140 P CB 0.209 31.823 31.700 -0.143 0.000 0.786 141 E N -1.254 118.924 120.200 -0.036 0.000 2.478 141 E HA -0.068 4.284 4.350 0.003 0.000 0.198 141 E C 0.608 177.291 176.600 0.139 0.000 1.046 141 E CA 0.200 56.626 56.400 0.042 0.000 0.870 141 E CB -0.323 29.405 29.700 0.046 0.000 0.818 141 E HN 0.152 nan 8.360 nan 0.000 0.527 142 N N 0.393 119.135 118.700 0.069 0.000 2.276 142 N HA 0.093 4.835 4.740 0.003 0.000 0.212 142 N C -0.602 174.665 175.510 -0.405 0.000 1.127 142 N CA 0.043 53.099 53.050 0.009 0.000 0.834 142 N CB 0.594 39.141 38.487 0.100 0.000 1.014 142 N HN 0.041 nan 8.380 nan 0.000 0.491 143 A N 0.985 123.281 122.820 -0.874 0.000 2.540 143 A HA 0.104 4.426 4.320 0.003 0.000 0.239 143 A C 0.950 177.997 177.584 -0.896 0.000 1.061 143 A CA 0.012 50.957 52.037 -1.819 0.000 0.758 143 A CB -0.015 18.044 19.000 -1.568 0.000 0.991 143 A HN 0.459 nan 8.150 nan 0.000 0.502 144 N N 0.058 118.317 118.700 -0.735 0.000 2.857 144 N HA -0.185 4.557 4.740 0.003 0.000 0.242 144 N C 0.703 175.997 175.510 -0.359 0.000 0.983 144 N CA 1.510 54.275 53.050 -0.474 0.000 0.934 144 N CB -1.274 36.897 38.487 -0.527 0.000 1.115 144 N HN 0.684 nan 8.380 nan 0.000 0.593 145 L N 1.035 122.113 121.223 -0.241 0.000 2.376 145 L HA -0.100 4.242 4.340 0.003 0.000 0.219 145 L C 2.176 178.997 176.870 -0.082 0.000 1.133 145 L CA 1.284 56.042 54.840 -0.136 0.000 0.816 145 L CB -0.343 41.656 42.059 -0.100 0.000 0.933 145 L HN 0.232 nan 8.230 nan 0.000 0.449 146 D N 0.270 120.648 120.400 -0.036 0.000 2.149 146 D HA -0.228 4.414 4.640 0.003 0.000 0.198 146 D C 1.665 177.919 176.300 -0.076 0.000 0.990 146 D CA 1.136 55.110 54.000 -0.043 0.000 0.839 146 D CB -0.173 40.644 40.800 0.027 0.000 0.948 146 D HN 0.171 nan 8.370 nan 0.000 0.460 147 K N 1.297 121.593 120.400 -0.174 0.000 2.026 147 K HA 0.035 4.357 4.320 0.003 0.000 0.208 147 K C 2.414 179.013 176.600 -0.001 0.000 1.048 147 K CA 1.319 57.528 56.287 -0.130 0.000 0.929 147 K CB -0.969 31.072 32.500 -0.765 0.000 0.713 147 K HN 0.293 nan 8.250 nan 0.000 0.439 148 A N 1.983 124.750 122.820 -0.088 0.000 1.883 148 A HA -0.186 4.136 4.320 0.003 0.000 0.217 148 A C 2.278 180.026 177.584 0.274 0.000 1.186 148 A CA 1.574 53.634 52.037 0.038 0.000 0.624 148 A CB -0.438 18.578 19.000 0.027 0.000 0.822 148 A HN 0.284 nan 8.150 nan 0.000 0.444 149 R N -1.336 119.261 120.500 0.162 0.000 2.092 149 R HA -0.102 4.240 4.340 0.003 0.000 0.231 149 R C 2.396 178.874 176.300 0.296 0.000 1.119 149 R CA 1.413 57.624 56.100 0.184 0.000 0.970 149 R CB -0.259 29.973 30.300 -0.114 0.000 0.864 149 R HN 0.421 nan 8.270 nan 0.000 0.440 150 R N 1.462 122.096 120.500 0.223 0.000 2.092 150 R HA -0.036 4.306 4.340 0.003 0.000 0.231 150 R C 1.960 178.547 176.300 0.479 0.000 1.119 150 R CA 1.207 57.483 56.100 0.293 0.000 0.970 150 R CB -0.604 29.759 30.300 0.105 0.000 0.864 150 R HN 0.188 nan 8.270 nan 0.000 0.440 151 L N -0.058 121.457 121.223 0.486 0.000 2.187 151 L HA -0.141 4.200 4.340 0.003 0.000 0.213 151 L C 1.740 178.815 176.870 0.342 0.000 1.100 151 L CA 0.979 56.058 54.840 0.398 0.000 0.765 151 L CB -0.248 41.917 42.059 0.177 0.000 0.904 151 L HN 0.214 nan 8.230 nan 0.000 0.437 152 L N -1.888 119.560 121.223 0.375 0.000 2.558 152 L HA -0.097 4.245 4.340 0.003 0.000 0.225 152 L C 2.150 179.184 176.870 0.274 0.000 1.128 152 L CA 0.086 55.080 54.840 0.257 0.000 0.868 152 L CB -0.366 41.847 42.059 0.257 0.000 1.006 152 L HN 0.464 nan 8.230 nan 0.000 0.454 153 W N 2.985 124.441 121.300 0.260 0.000 2.335 153 W HA -0.173 4.489 4.660 0.003 0.000 0.311 153 W C -0.947 175.615 176.519 0.071 0.000 1.213 153 W CA 1.282 58.750 57.345 0.205 0.000 1.274 153 W CB -1.072 28.537 29.460 0.248 0.000 1.148 153 W HN 0.105 nan 8.180 nan 0.000 0.498 154 P HA -0.200 nan 4.420 nan 0.000 0.216 154 P C 1.670 178.752 177.300 -0.362 0.000 1.150 154 P CA 2.138 64.989 63.100 -0.416 0.000 0.837 154 P CB -0.293 31.326 31.700 -0.134 0.000 0.786 155 I N -0.909 119.548 120.570 -0.189 0.000 2.286 155 I HA -0.224 3.948 4.170 0.003 0.000 0.245 155 I C 2.375 178.416 176.117 -0.125 0.000 1.104 155 I CA 1.258 62.504 61.300 -0.089 0.000 1.397 155 I CB -0.319 37.680 38.000 -0.002 0.000 1.072 155 I HN -0.152 nan 8.210 nan 0.000 0.417 156 K N 1.148 121.380 120.400 -0.280 0.000 2.063 156 K HA -0.280 4.042 4.320 0.003 0.000 0.208 156 K C 2.132 178.526 176.600 -0.343 0.000 1.048 156 K CA 1.762 57.830 56.287 -0.364 0.000 0.928 156 K CB -0.305 31.796 32.500 -0.666 0.000 0.713 156 K HN 0.296 nan 8.250 nan 0.000 0.442 157 Q N 0.307 119.673 119.800 -0.723 0.000 2.050 157 Q HA -0.216 4.126 4.340 0.003 0.000 0.202 157 Q C 2.050 177.796 176.000 -0.424 0.000 0.980 157 Q CA 1.960 57.279 55.803 -0.807 0.000 0.840 157 Q CB -0.166 27.754 28.738 -1.363 0.000 0.898 157 Q HN 0.354 nan 8.270 nan 0.000 0.424 158 K N -0.785 119.361 120.400 -0.423 0.000 2.057 158 K HA -0.182 4.140 4.320 0.003 0.000 0.207 158 K C 1.313 177.620 176.600 -0.489 0.000 1.049 158 K CA 1.541 57.554 56.287 -0.457 0.000 0.931 158 K CB -0.088 32.065 32.500 -0.579 0.000 0.714 158 K HN 0.317 nan 8.250 nan 0.000 0.440 159 Y N -0.066 120.156 120.300 -0.131 0.000 2.497 159 Y HA 0.182 4.734 4.550 0.004 0.000 0.265 159 Y C 1.467 177.351 175.900 -0.026 0.000 1.111 159 Y CA 0.202 58.260 58.100 -0.070 0.000 1.288 159 Y CB 0.531 38.952 38.460 -0.064 0.000 1.082 159 Y HN 0.373 nan 8.280 nan 0.000 0.536 160 G N 1.715 110.549 108.800 0.057 0.000 2.574 160 G HA2 -0.418 3.544 3.960 0.003 0.000 0.286 160 G HA3 -0.418 3.544 3.960 0.003 0.000 0.286 160 G C 1.162 176.154 174.900 0.154 0.000 1.212 160 G CA 0.574 45.721 45.100 0.079 0.000 0.979 160 G HN 0.469 nan 8.290 nan 0.000 0.557 161 R N 0.724 121.332 120.500 0.180 0.000 2.235 161 R HA 0.354 4.696 4.340 0.003 0.000 0.213 161 R C 2.566 179.148 176.300 0.470 0.000 1.059 161 R CA 1.914 58.178 56.100 0.274 0.000 0.997 161 R CB -0.414 29.980 30.300 0.156 0.000 0.884 161 R HN 1.124 nan 8.270 nan 0.000 0.462 162 A N 1.452 124.487 122.820 0.357 0.000 2.067 162 A HA 0.083 4.405 4.320 0.003 0.000 0.219 162 A C 1.190 179.031 177.584 0.428 0.000 1.158 162 A CA 0.575 52.811 52.037 0.331 0.000 0.661 162 A CB -0.037 19.068 19.000 0.175 0.000 0.801 162 A HN 0.434 nan 8.150 nan 0.000 0.452 163 I N 0.795 121.612 120.570 0.412 0.000 2.468 163 I HA 0.266 4.438 4.170 0.003 0.000 0.285 163 I C 0.164 176.442 176.117 0.268 0.000 1.039 163 I CA -0.675 60.887 61.300 0.437 0.000 1.074 163 I CB 1.849 39.974 38.000 0.209 0.000 1.228 163 I HN 0.218 nan 8.210 nan 0.000 0.436 164 S N 4.572 120.404 115.700 0.220 0.000 2.579 164 S HA 0.094 4.566 4.470 0.003 0.000 0.275 164 S C 0.757 175.347 174.600 -0.017 0.000 1.345 164 S CA -0.237 57.914 58.200 -0.081 0.000 1.031 164 S CB 0.644 63.585 63.200 -0.431 0.000 0.892 164 S HN 0.797 nan 8.310 nan 0.000 0.529 165 W N 1.455 122.722 121.300 -0.056 0.000 2.321 165 W HA -0.138 4.524 4.660 0.003 0.000 0.306 165 W C 2.798 179.264 176.519 -0.088 0.000 1.217 165 W CA 1.546 58.853 57.345 -0.063 0.000 1.257 165 W CB -0.724 28.658 29.460 -0.129 0.000 1.145 165 W HN 0.939 nan 8.180 nan 0.000 0.509 166 A N 0.236 123.112 122.820 0.094 0.000 1.865 166 A HA -0.265 4.057 4.320 0.003 0.000 0.217 166 A C 1.707 179.298 177.584 0.012 0.000 1.191 166 A CA 2.300 54.336 52.037 -0.003 0.000 0.623 166 A CB -1.000 17.942 19.000 -0.096 0.000 0.826 166 A HN 0.197 nan 8.150 nan 0.000 0.444 167 D N -0.600 119.820 120.400 0.034 0.000 2.117 167 D HA -0.118 4.524 4.640 0.003 0.000 0.197 167 D C 1.859 178.267 176.300 0.179 0.000 0.987 167 D CA 1.277 55.364 54.000 0.145 0.000 0.829 167 D CB -0.462 40.464 40.800 0.210 0.000 0.961 167 D HN 0.320 nan 8.370 nan 0.000 0.460 168 L N 0.860 122.146 121.223 0.104 0.000 2.042 168 L HA -0.132 4.210 4.340 0.003 0.000 0.210 168 L C 2.210 179.100 176.870 0.034 0.000 1.076 168 L CA 1.362 56.217 54.840 0.025 0.000 0.749 168 L CB -0.548 41.474 42.059 -0.063 0.000 0.893 168 L HN 0.027 nan 8.230 nan 0.000 0.432 169 L N -1.190 120.098 121.223 0.108 0.000 2.042 169 L HA -0.252 4.090 4.340 0.003 0.000 0.210 169 L C 2.497 179.409 176.870 0.070 0.000 1.076 169 L CA 1.011 55.910 54.840 0.098 0.000 0.749 169 L CB -0.761 41.359 42.059 0.102 0.000 0.893 169 L HN 0.280 nan 8.230 nan 0.000 0.432 170 I N -0.360 120.255 120.570 0.075 0.000 2.252 170 I HA -0.245 3.927 4.170 0.003 0.000 0.245 170 I C 2.513 178.697 176.117 0.112 0.000 1.102 170 I CA 1.287 62.655 61.300 0.114 0.000 1.385 170 I CB -0.985 37.074 38.000 0.098 0.000 1.064 170 I HN 0.238 nan 8.210 nan 0.000 0.414 171 L N 0.767 121.956 121.223 -0.057 0.000 2.083 171 L HA -0.173 4.169 4.340 0.003 0.000 0.209 171 L C 2.450 179.179 176.870 -0.234 0.000 1.083 171 L CA 1.933 56.526 54.840 -0.411 0.000 0.752 171 L CB -0.894 40.820 42.059 -0.576 0.000 0.899 171 L HN 0.172 nan 8.230 nan 0.000 0.433 172 T N -0.675 113.774 114.554 -0.175 0.000 2.746 172 T HA -0.118 4.234 4.350 0.003 0.000 0.267 172 T C 1.739 176.375 174.700 -0.107 0.000 1.039 172 T CA 1.207 63.161 62.100 -0.243 0.000 1.142 172 T CB -0.941 67.692 68.868 -0.392 0.000 0.866 172 T HN 0.587 nan 8.240 nan 0.000 0.444 173 G N 1.949 110.790 108.800 0.069 0.000 2.491 173 G HA2 -0.315 3.647 3.960 0.003 0.000 0.218 173 G HA3 -0.315 3.647 3.960 0.003 0.000 0.218 173 G C 1.624 176.581 174.900 0.096 0.000 1.180 173 G CA 1.151 46.385 45.100 0.222 0.000 0.774 173 G HN 0.409 nan 8.290 nan 0.000 0.562 174 N N 0.171 118.972 118.700 0.168 0.000 2.061 174 N HA -0.113 4.629 4.740 0.003 0.000 0.193 174 N C 2.217 177.678 175.510 -0.082 0.000 1.030 174 N CA 1.276 54.372 53.050 0.076 0.000 0.856 174 N CB -0.578 37.972 38.487 0.105 0.000 1.023 174 N HN 0.193 nan 8.380 nan 0.000 0.424 175 V N 0.738 120.559 119.914 -0.154 0.000 2.515 175 V HA -0.139 3.983 4.120 0.003 0.000 0.250 175 V C 2.179 178.125 176.094 -0.247 0.000 1.058 175 V CA 1.574 63.708 62.300 -0.276 0.000 1.064 175 V CB -0.939 30.657 31.823 -0.379 0.000 0.675 175 V HN 0.339 nan 8.190 nan 0.000 0.461 176 A N 0.087 122.827 122.820 -0.133 0.000 1.858 176 A HA -0.164 4.158 4.320 0.003 0.000 0.216 176 A C 2.202 179.676 177.584 -0.183 0.000 1.190 176 A CA 1.809 53.821 52.037 -0.042 0.000 0.617 176 A CB -0.590 18.429 19.000 0.032 0.000 0.827 176 A HN 0.462 nan 8.150 nan 0.000 0.443 177 L N -0.595 120.440 121.223 -0.314 0.000 2.013 177 L HA -0.288 4.054 4.340 0.003 0.000 0.212 177 L C 2.691 179.510 176.870 -0.085 0.000 1.073 177 L CA 2.118 56.743 54.840 -0.359 0.000 0.753 177 L CB -0.639 41.171 42.059 -0.416 0.000 0.890 177 L HN 0.494 nan 8.230 nan 0.000 0.432 178 E N -0.853 119.323 120.200 -0.041 0.000 2.051 178 E HA -0.231 4.121 4.350 0.003 0.000 0.192 178 E C 2.322 179.010 176.600 0.148 0.000 0.991 178 E CA 1.396 57.828 56.400 0.052 0.000 0.799 178 E CB -0.184 29.556 29.700 0.066 0.000 0.748 178 E HN 0.319 nan 8.360 nan 0.000 0.449 179 S N 0.444 116.235 115.700 0.152 0.000 2.387 179 S HA -0.177 4.295 4.470 0.003 0.000 0.230 179 S C 1.744 176.479 174.600 0.225 0.000 1.035 179 S CA 1.263 59.633 58.200 0.284 0.000 1.014 179 S CB -0.098 63.265 63.200 0.272 0.000 0.836 179 S HN 0.184 nan 8.310 nan 0.000 0.466 180 M N 0.199 119.866 119.600 0.112 0.000 2.505 180 M HA 0.252 4.734 4.480 0.003 0.000 0.230 180 M C 1.241 177.701 176.300 0.266 0.000 1.153 180 M CA 0.557 55.927 55.300 0.117 0.000 0.997 180 M CB 0.456 33.065 32.600 0.016 0.000 1.606 180 M HN 0.542 nan 8.290 nan 0.000 0.481 181 G N 1.227 110.157 108.800 0.217 0.000 2.144 181 G HA2 -0.259 3.703 3.960 0.003 0.000 0.218 181 G HA3 -0.259 3.703 3.960 0.003 0.000 0.218 181 G C -0.393 174.610 174.900 0.172 0.000 0.988 181 G CA -0.629 44.600 45.100 0.215 0.000 0.659 181 G HN 0.452 nan 8.290 nan 0.000 0.522 182 F N 1.858 121.766 119.950 -0.071 0.000 2.411 182 F HA 0.658 5.186 4.527 0.003 0.000 0.352 182 F C 0.390 176.030 175.800 -0.267 0.000 1.123 182 F CA -1.213 56.586 58.000 -0.336 0.000 1.044 182 F CB 1.182 39.923 39.000 -0.430 0.000 1.135 182 F HN 0.010 nan 8.300 nan 0.000 0.461 183 K N 5.331 125.255 120.400 -0.793 0.000 2.276 183 K HA 0.257 4.579 4.320 0.003 0.000 0.285 183 K C -0.132 176.125 176.600 -0.571 0.000 1.062 183 K CA -0.346 55.637 56.287 -0.507 0.000 0.918 183 K CB 0.585 32.845 32.500 -0.400 0.000 1.055 183 K HN 0.791 nan 8.250 nan 0.000 0.477 184 T N 1.075 115.516 114.554 -0.188 0.000 2.849 184 T HA 0.133 4.485 4.350 0.003 0.000 0.284 184 T C 0.793 175.511 174.700 0.031 0.000 1.004 184 T CA -0.642 61.467 62.100 0.013 0.000 1.021 184 T CB 0.627 69.592 68.868 0.161 0.000 1.013 184 T HN 0.545 nan 8.240 nan 0.000 0.527 185 F N 1.048 120.979 119.950 -0.032 0.000 2.558 185 F HA 0.396 4.925 4.527 0.003 0.000 0.298 185 F C 1.228 176.890 175.800 -0.230 0.000 1.119 185 F CA 1.061 58.980 58.000 -0.135 0.000 1.451 185 F CB -0.397 38.538 39.000 -0.107 0.000 1.091 185 F HN 1.208 nan 8.300 nan 0.000 0.563 186 G N -0.708 108.080 108.800 -0.020 0.000 2.362 186 G HA2 0.283 4.245 3.960 0.003 0.000 0.288 186 G HA3 0.283 4.245 3.960 0.003 0.000 0.288 186 G C -2.088 173.017 174.900 0.340 0.000 1.305 186 G CA -0.522 44.549 45.100 -0.048 0.000 0.910 186 G HN 0.207 nan 8.290 nan 0.000 0.518 187 F N 0.181 120.235 119.950 0.173 0.000 2.639 187 F HA 0.736 5.266 4.527 0.004 0.000 0.320 187 F C -0.513 175.452 175.800 0.275 0.000 1.128 187 F CA 0.031 58.231 58.000 0.333 0.000 1.037 187 F CB 1.488 40.639 39.000 0.253 0.000 1.288 187 F HN 1.389 nan 8.300 nan 0.000 0.463 188 A N 3.569 126.134 122.820 -0.424 0.000 2.330 188 A HA 0.809 5.131 4.320 0.003 0.000 0.327 188 A C -0.038 176.829 177.584 -1.194 0.000 1.155 188 A CA -0.123 51.567 52.037 -0.578 0.000 0.803 188 A CB 0.862 19.536 19.000 -0.544 0.000 1.208 188 A HN 1.255 nan 8.150 nan 0.000 0.477 189 G N -0.440 107.867 108.800 -0.821 0.000 2.557 189 G HA2 0.552 4.514 3.960 0.003 0.000 0.292 189 G HA3 0.552 4.514 3.960 0.003 0.000 0.292 189 G C 0.841 175.286 174.900 -0.759 0.000 1.237 189 G CA -0.072 44.391 45.100 -1.062 0.000 0.978 189 G HN 2.146 nan 8.290 nan 0.000 0.498 190 G N -1.466 106.965 108.800 -0.616 0.000 2.227 190 G HA2 -0.182 3.779 3.960 0.003 0.000 0.168 190 G HA3 -0.182 3.779 3.960 0.003 0.000 0.168 190 G C 0.421 175.313 174.900 -0.013 0.000 1.006 190 G CA -0.345 44.626 45.100 -0.215 0.000 0.684 190 G HN 0.715 nan 8.290 nan 0.000 0.489 191 R N 1.307 121.758 120.500 -0.081 0.000 2.309 191 R HA 0.570 4.912 4.340 0.003 0.000 0.331 191 R C 0.863 177.068 176.300 -0.158 0.000 1.116 191 R CA 0.505 56.533 56.100 -0.120 0.000 0.970 191 R CB 0.782 30.976 30.300 -0.177 0.000 1.024 191 R HN 0.463 nan 8.270 nan 0.000 0.472 192 A N 3.238 125.991 122.820 -0.112 0.000 2.477 192 A HA 0.049 4.371 4.320 0.003 0.000 0.246 192 A C -0.047 177.388 177.584 -0.247 0.000 1.078 192 A CA -0.441 51.447 52.037 -0.247 0.000 0.770 192 A CB 0.265 19.287 19.000 0.036 0.000 1.011 192 A HN 0.549 nan 8.150 nan 0.000 0.494 193 D N 0.878 121.085 120.400 -0.321 0.000 2.368 193 D HA 0.381 5.023 4.640 0.003 0.000 0.240 193 D C 0.850 176.841 176.300 -0.514 0.000 1.169 193 D CA 1.010 54.771 54.000 -0.397 0.000 0.906 193 D CB 0.919 41.407 40.800 -0.520 0.000 1.187 193 D HN 0.704 nan 8.370 nan 0.000 0.435 194 T N -2.260 111.927 114.554 -0.612 0.000 2.926 194 T HA 0.535 4.887 4.350 0.003 0.000 0.289 194 T C 0.058 174.310 174.700 -0.746 0.000 1.054 194 T CA -0.825 60.971 62.100 -0.506 0.000 1.015 194 T CB 1.173 69.939 68.868 -0.170 0.000 1.167 194 T HN 0.538 nan 8.240 nan 0.000 0.526 195 W N 0.076 121.453 121.300 0.128 0.000 2.534 195 W HA 0.320 4.982 4.660 0.004 0.000 0.339 195 W C 0.536 176.812 176.519 -0.404 0.000 0.961 195 W CA -0.687 56.665 57.345 0.011 0.000 1.545 195 W CB 0.678 30.181 29.460 0.072 0.000 1.104 195 W HN 0.899 nan 8.180 nan 0.000 0.538 196 E N -0.343 119.589 120.200 -0.448 0.000 2.449 196 E HA 0.439 4.791 4.350 0.003 0.000 0.278 196 E C -2.861 173.366 176.600 -0.622 0.000 0.992 196 E CA -2.719 53.293 56.400 -0.647 0.000 0.807 196 E CB 1.584 31.071 29.700 -0.355 0.000 1.350 196 E HN -0.383 nan 8.360 nan 0.000 0.462 197 P HA -0.044 nan 4.420 nan 0.000 0.265 197 P C -0.641 176.671 177.300 0.021 0.000 1.193 197 P CA 0.262 63.282 63.100 -0.134 0.000 0.765 197 P CB 0.463 32.142 31.700 -0.036 0.000 0.823 198 E N 2.436 122.713 120.200 0.128 0.000 2.373 198 E HA 0.017 4.369 4.350 0.003 0.000 0.267 198 E C -0.511 176.155 176.600 0.111 0.000 1.032 198 E CA -0.367 56.133 56.400 0.167 0.000 0.889 198 E CB 0.376 30.147 29.700 0.118 0.000 0.984 198 E HN 0.371 nan 8.360 nan 0.000 0.425 199 D N 3.793 124.239 120.400 0.076 0.000 2.393 199 D HA 0.179 4.821 4.640 0.003 0.000 0.232 199 D C -0.902 175.357 176.300 -0.069 0.000 1.192 199 D CA 0.005 54.017 54.000 0.020 0.000 0.882 199 D CB 1.048 41.857 40.800 0.015 0.000 1.038 199 D HN 0.062 nan 8.370 nan 0.000 0.499 200 V N 3.143 122.960 119.914 -0.162 0.000 2.709 200 V HA 0.125 4.247 4.120 0.003 0.000 0.308 200 V C -0.531 175.256 176.094 -0.512 0.000 1.062 200 V CA -1.132 60.868 62.300 -0.500 0.000 0.901 200 V CB 1.937 33.109 31.823 -1.084 0.000 1.003 200 V HN 0.358 nan 8.190 nan 0.000 0.425 201 Y N 2.951 122.966 120.300 -0.476 0.000 2.584 201 Y HA 0.252 4.804 4.550 0.003 0.000 0.351 201 Y C 0.254 175.958 175.900 -0.326 0.000 1.030 201 Y CA -0.433 57.491 58.100 -0.294 0.000 1.332 201 Y CB 0.612 38.965 38.460 -0.179 0.000 1.148 201 Y HN 0.781 nan 8.280 nan 0.000 0.528 202 W N 4.307 125.388 121.300 -0.366 0.000 3.278 202 W HA 0.463 5.126 4.660 0.004 0.000 0.308 202 W C 0.802 177.008 176.519 -0.520 0.000 1.253 202 W CA 0.476 57.663 57.345 -0.263 0.000 1.759 202 W CB 0.524 30.035 29.460 0.084 0.000 1.093 202 W HN 0.967 nan 8.180 nan 0.000 0.648 203 G N -0.603 107.653 108.800 -0.907 0.000 2.340 203 G HA2 -0.025 3.937 3.960 0.003 0.000 0.527 203 G HA3 -0.025 3.937 3.960 0.003 0.000 0.527 203 G C -0.084 174.594 174.900 -0.370 0.000 1.381 203 G CA -0.384 44.329 45.100 -0.644 0.000 1.001 203 G HN -0.224 nan 8.290 nan 0.000 0.626 204 S N -0.239 115.414 115.700 -0.078 0.000 2.559 204 S HA 0.256 4.728 4.470 0.003 0.000 0.226 204 S C 0.514 175.096 174.600 -0.030 0.000 1.000 204 S CA 0.106 58.333 58.200 0.044 0.000 0.948 204 S CB 0.376 63.663 63.200 0.146 0.000 0.870 204 S HN 0.589 nan 8.310 nan 0.000 0.497 205 E N 1.942 122.092 120.200 -0.082 0.000 2.392 205 E HA 0.158 4.510 4.350 0.003 0.000 0.264 205 E C 0.585 177.082 176.600 -0.172 0.000 1.024 205 E CA 0.107 56.444 56.400 -0.105 0.000 0.903 205 E CB 0.440 30.075 29.700 -0.109 0.000 0.963 205 E HN -0.119 nan 8.360 nan 0.000 0.432 206 K N 1.816 122.124 120.400 -0.154 0.000 2.399 206 K HA 0.314 4.636 4.320 0.003 0.000 0.204 206 K C -0.236 176.229 176.600 -0.226 0.000 1.023 206 K CA 0.050 56.224 56.287 -0.190 0.000 1.127 206 K CB 0.275 32.707 32.500 -0.113 0.000 0.856 206 K HN 0.435 nan 8.250 nan 0.000 0.514 207 I N 0.243 120.679 120.570 -0.222 0.000 2.499 207 I HA 0.254 4.426 4.170 0.003 0.000 0.288 207 I C -0.615 175.404 176.117 -0.164 0.000 1.048 207 I CA -1.016 60.189 61.300 -0.158 0.000 1.062 207 I CB 1.450 39.421 38.000 -0.048 0.000 1.238 207 I HN -0.037 nan 8.210 nan 0.000 0.426 208 W N 7.163 128.446 121.300 -0.029 0.000 2.385 208 W HA 0.140 4.802 4.660 0.003 0.000 0.336 208 W C 0.936 177.421 176.519 -0.057 0.000 1.351 208 W CA -0.002 57.310 57.345 -0.054 0.000 1.295 208 W CB 0.189 29.635 29.460 -0.023 0.000 1.239 208 W HN 0.479 nan 8.180 nan 0.000 0.565 209 L N 1.167 122.505 121.223 0.191 0.000 4.496 209 L HA -0.283 4.059 4.340 0.003 0.000 0.419 209 L C 0.787 177.690 176.870 0.055 0.000 1.139 209 L CA 0.237 55.130 54.840 0.088 0.000 0.975 209 L CB -1.699 40.415 42.059 0.091 0.000 2.099 209 L HN 0.560 nan 8.230 nan 0.000 0.818 210 E N 1.342 121.561 120.200 0.032 0.000 2.465 210 E HA 0.200 4.552 4.350 0.003 0.000 0.260 210 E C 0.311 176.935 176.600 0.039 0.000 0.980 210 E CA -0.179 56.236 56.400 0.025 0.000 0.927 210 E CB 0.559 30.259 29.700 -0.001 0.000 0.934 210 E HN 0.251 nan 8.360 nan 0.000 0.459 211 L N 3.020 124.267 121.223 0.041 0.000 2.464 211 L HA 0.106 4.448 4.340 0.003 0.000 0.264 211 L C 0.931 177.835 176.870 0.057 0.000 1.199 211 L CA -0.581 54.286 54.840 0.046 0.000 0.818 211 L CB 0.748 42.827 42.059 0.032 0.000 1.102 211 L HN 0.631 nan 8.230 nan 0.000 0.473 212 S N -0.053 115.684 115.700 0.062 0.000 2.580 212 S HA 0.344 4.816 4.470 0.003 0.000 0.266 212 S C 1.030 175.670 174.600 0.067 0.000 1.354 212 S CA -0.074 58.186 58.200 0.101 0.000 1.008 212 S CB 1.090 64.324 63.200 0.056 0.000 0.898 212 S HN 1.114 nan 8.310 nan 0.000 0.555 213 G N 0.162 109.014 108.800 0.087 0.000 2.176 213 G HA2 -0.076 3.886 3.960 0.003 0.000 0.253 213 G HA3 -0.076 3.886 3.960 0.003 0.000 0.253 213 G C 0.530 175.457 174.900 0.045 0.000 0.979 213 G CA 0.128 45.264 45.100 0.060 0.000 0.641 213 G HN 1.349 nan 8.290 nan 0.000 0.530 214 G N 0.237 109.064 108.800 0.045 0.000 2.588 214 G HA2 0.583 4.545 3.960 0.003 0.000 0.278 214 G HA3 0.583 4.545 3.960 0.003 0.000 0.278 214 G C -0.122 174.795 174.900 0.028 0.000 1.307 214 G CA 0.024 45.142 45.100 0.030 0.000 1.016 214 G HN 0.142 nan 8.290 nan 0.000 0.503 215 P HA -0.049 nan 4.420 nan 0.000 0.222 215 P C 0.411 177.723 177.300 0.020 0.000 1.147 215 P CA 0.909 64.019 63.100 0.017 0.000 0.790 215 P CB 0.329 32.033 31.700 0.008 0.000 0.780 216 N N -0.597 118.115 118.700 0.020 0.000 2.416 216 N HA 0.044 4.786 4.740 0.003 0.000 0.267 216 N C -0.200 175.331 175.510 0.035 0.000 1.294 216 N CA -0.061 53.005 53.050 0.026 0.000 0.891 216 N CB 0.445 38.938 38.487 0.011 0.000 1.238 216 N HN -0.038 nan 8.380 nan 0.000 0.508 217 S N 1.242 116.970 115.700 0.047 0.000 2.575 217 S HA -0.050 4.422 4.470 0.003 0.000 0.295 217 S C 1.582 176.217 174.600 0.057 0.000 1.267 217 S CA -0.154 58.089 58.200 0.073 0.000 1.074 217 S CB 0.524 63.782 63.200 0.097 0.000 0.829 217 S HN 0.451 nan 8.310 nan 0.000 0.497 218 R N 3.570 124.091 120.500 0.035 0.000 2.299 218 R HA 0.093 4.435 4.340 0.003 0.000 0.197 218 R C -0.470 175.693 176.300 -0.228 0.000 0.971 218 R CA 0.453 56.501 56.100 -0.088 0.000 1.030 218 R CB -0.126 30.079 30.300 -0.159 0.000 0.932 218 R HN 0.572 nan 8.270 nan 0.000 0.477 219 Y N 1.222 121.545 120.300 0.038 0.000 2.360 219 Y HA 0.355 4.907 4.550 0.003 0.000 0.337 219 Y C 0.269 176.189 175.900 0.034 0.000 1.039 219 Y CA -0.484 57.638 58.100 0.037 0.000 1.109 219 Y CB 2.042 40.523 38.460 0.034 0.000 1.201 219 Y HN 0.118 nan 8.280 nan 0.000 0.458 220 S N 0.702 116.514 115.700 0.187 0.000 2.697 220 S HA 0.893 5.365 4.470 0.003 0.000 0.289 220 S C 0.158 174.833 174.600 0.124 0.000 1.149 220 S CA -0.437 57.838 58.200 0.126 0.000 0.850 220 S CB 1.506 64.753 63.200 0.078 0.000 1.151 220 S HN 1.383 nan 8.310 nan 0.000 0.491 221 G N 1.350 110.201 108.800 0.085 0.000 2.566 221 G HA2 -0.252 3.710 3.960 0.003 0.000 0.280 221 G HA3 -0.252 3.710 3.960 0.003 0.000 0.280 221 G C -0.358 174.584 174.900 0.071 0.000 1.225 221 G CA 0.570 45.712 45.100 0.069 0.000 0.966 221 G HN 1.232 nan 8.290 nan 0.000 0.560 222 D N 0.843 121.282 120.400 0.066 0.000 2.608 222 D HA 0.403 5.045 4.640 0.003 0.000 0.224 222 D C 1.141 177.489 176.300 0.079 0.000 1.123 222 D CA 0.295 54.329 54.000 0.056 0.000 1.030 222 D CB -0.637 40.189 40.800 0.044 0.000 1.093 222 D HN 0.811 nan 8.370 nan 0.000 0.497 223 R N 1.539 122.093 120.500 0.090 0.000 3.225 223 R HA -0.198 4.144 4.340 0.003 0.000 0.245 223 R C -0.751 175.754 176.300 0.341 0.000 0.928 223 R CA 0.452 56.637 56.100 0.142 0.000 0.632 223 R CB -0.921 29.367 30.300 -0.019 0.000 1.038 223 R HN 0.391 nan 8.270 nan 0.000 0.461 224 Q N 1.173 121.157 119.800 0.306 0.000 2.337 224 Q HA 0.156 4.498 4.340 0.003 0.000 0.255 224 Q C -0.235 175.823 176.000 0.097 0.000 0.997 224 Q CA -0.573 55.347 55.803 0.196 0.000 0.925 224 Q CB 1.290 30.093 28.738 0.108 0.000 1.212 224 Q HN 0.270 nan 8.270 nan 0.000 0.436 225 L N 3.788 124.986 121.223 -0.041 0.000 2.360 225 L HA 0.085 4.427 4.340 0.003 0.000 0.276 225 L C 0.458 177.222 176.870 -0.176 0.000 1.121 225 L CA 0.072 54.685 54.840 -0.378 0.000 0.845 225 L CB 0.437 42.312 42.059 -0.306 0.000 1.143 225 L HN 0.536 nan 8.230 nan 0.000 0.452 226 E N 3.302 123.396 120.200 -0.177 0.000 2.415 226 E HA 0.031 4.383 4.350 0.003 0.000 0.263 226 E C -0.588 175.988 176.600 -0.040 0.000 0.995 226 E CA -0.166 56.195 56.400 -0.065 0.000 0.915 226 E CB 0.106 29.794 29.700 -0.019 0.000 0.951 226 E HN 0.689 nan 8.360 nan 0.000 0.449 227 N N 3.456 122.136 118.700 -0.032 0.000 2.453 227 N HA 0.060 4.802 4.740 0.003 0.000 0.253 227 N C -1.810 173.690 175.510 -0.016 0.000 1.252 227 N CA -1.079 51.949 53.050 -0.037 0.000 0.917 227 N CB 0.635 39.085 38.487 -0.062 0.000 1.117 227 N HN 0.550 nan 8.380 nan 0.000 0.442 228 P HA 0.150 nan 4.420 nan 0.000 0.248 228 P C -0.799 176.493 177.300 -0.013 0.000 1.708 228 P CA 0.109 63.188 63.100 -0.035 0.000 1.062 228 P CB 0.194 31.853 31.700 -0.068 0.000 1.562 229 L N 0.091 121.322 121.223 0.014 0.000 2.418 229 L HA 0.580 4.922 4.340 0.003 0.000 0.265 229 L C 1.160 178.043 176.870 0.022 0.000 1.143 229 L CA -0.516 54.336 54.840 0.021 0.000 0.809 229 L CB 0.908 42.964 42.059 -0.005 0.000 1.124 229 L HN -0.063 nan 8.230 nan 0.000 0.456 230 A N 1.331 124.196 122.820 0.074 0.000 2.622 230 A HA 0.704 5.026 4.320 0.003 0.000 0.283 230 A C 0.002 177.694 177.584 0.179 0.000 0.998 230 A CA 0.192 52.297 52.037 0.112 0.000 0.985 230 A CB 0.392 19.460 19.000 0.114 0.000 1.236 230 A HN 0.673 nan 8.150 nan 0.000 0.559 231 A N -0.555 122.338 122.820 0.122 0.000 2.454 231 A HA 0.646 4.968 4.320 0.003 0.000 0.302 231 A C 0.867 178.506 177.584 0.091 0.000 1.079 231 A CA 0.209 52.310 52.037 0.106 0.000 0.731 231 A CB 0.953 19.952 19.000 -0.002 0.000 1.299 231 A HN 1.170 nan 8.150 nan 0.000 0.413 232 V N -1.874 118.129 119.914 0.149 0.000 3.052 232 V HA 0.228 4.350 4.120 0.003 0.000 0.254 232 V C 0.355 176.577 176.094 0.214 0.000 1.100 232 V CA 1.176 63.638 62.300 0.271 0.000 1.112 232 V CB -0.963 31.026 31.823 0.276 0.000 0.738 232 V HN 0.722 nan 8.190 nan 0.000 0.469 233 Q N -0.105 119.735 119.800 0.067 0.000 2.377 233 Q HA 0.550 4.892 4.340 0.003 0.000 0.279 233 Q C -1.114 174.824 176.000 -0.103 0.000 1.049 233 Q CA -1.010 54.802 55.803 0.015 0.000 0.825 233 Q CB 2.363 31.116 28.738 0.025 0.000 1.401 233 Q HN 0.302 nan 8.270 nan 0.000 0.404 234 M N 1.402 120.934 119.600 -0.114 0.000 2.356 234 M HA 0.262 4.744 4.480 0.003 0.000 0.348 234 M C 0.805 176.951 176.300 -0.256 0.000 1.595 234 M CA 1.818 56.992 55.300 -0.210 0.000 1.095 234 M CB -0.652 31.836 32.600 -0.186 0.000 1.963 234 M HN 0.866 nan 8.290 nan 0.000 0.459 235 G N 3.808 112.116 108.800 -0.820 0.000 2.176 235 G HA2 -0.169 3.792 3.960 0.003 0.000 0.232 235 G HA3 -0.169 3.792 3.960 0.003 0.000 0.232 235 G C -0.192 174.253 174.900 -0.757 0.000 0.986 235 G CA 0.093 44.515 45.100 -1.130 0.000 0.643 235 G HN 0.692 nan 8.290 nan 0.000 0.522 236 L N 0.923 121.800 121.223 -0.576 0.000 2.375 236 L HA 0.499 4.841 4.340 0.003 0.000 0.268 236 L C 1.806 178.491 176.870 -0.309 0.000 1.058 236 L CA -1.443 53.218 54.840 -0.298 0.000 0.803 236 L CB 0.758 42.744 42.059 -0.123 0.000 1.212 236 L HN -0.145 nan 8.230 nan 0.000 0.451 237 I N 0.078 120.508 120.570 -0.234 0.000 2.188 237 I HA -0.147 4.025 4.170 0.003 0.000 0.237 237 I C 1.347 177.168 176.117 -0.493 0.000 1.073 237 I CA 1.990 63.052 61.300 -0.396 0.000 1.359 237 I CB -0.589 37.009 38.000 -0.671 0.000 1.083 237 I HN 0.635 nan 8.210 nan 0.000 0.412 238 Y N -0.231 120.059 120.300 -0.017 0.000 3.127 238 Y HA 0.265 4.817 4.550 0.004 0.000 0.196 238 Y C 0.777 176.732 175.900 0.092 0.000 0.920 238 Y CA -0.312 57.806 58.100 0.031 0.000 1.664 238 Y CB 0.081 38.569 38.460 0.046 0.000 1.399 238 Y HN -0.113 nan 8.280 nan 0.000 0.435 239 V N -1.073 119.030 119.914 0.314 0.000 3.158 239 V HA 0.509 4.631 4.120 0.003 0.000 0.315 239 V C -0.798 175.401 176.094 0.177 0.000 1.148 239 V CA -1.165 61.277 62.300 0.238 0.000 1.042 239 V CB 1.738 33.718 31.823 0.261 0.000 1.101 239 V HN 0.303 nan 8.190 nan 0.000 0.448 240 N N 2.591 121.380 118.700 0.148 0.000 2.422 240 N HA 0.399 5.141 4.740 0.003 0.000 0.264 240 N C -1.599 174.002 175.510 0.151 0.000 1.063 240 N CA -2.000 51.126 53.050 0.126 0.000 0.959 240 N CB 1.631 40.180 38.487 0.103 0.000 1.087 240 N HN 0.602 nan 8.380 nan 0.000 0.483 241 P HA -0.039 nan 4.420 nan 0.000 0.226 241 P C 0.259 177.670 177.300 0.185 0.000 1.153 241 P CA 1.056 64.269 63.100 0.188 0.000 0.777 241 P CB 0.506 32.323 31.700 0.195 0.000 0.794 242 E N -0.349 119.950 120.200 0.165 0.000 2.371 242 E HA 0.257 4.609 4.350 0.003 0.000 0.194 242 E C 0.907 177.613 176.600 0.177 0.000 1.012 242 E CA 0.334 56.848 56.400 0.190 0.000 0.860 242 E CB 0.022 29.836 29.700 0.189 0.000 0.811 242 E HN 0.240 nan 8.360 nan 0.000 0.502 243 G N 1.416 110.303 108.800 0.145 0.000 2.357 243 G HA2 -0.098 3.864 3.960 0.003 0.000 0.643 243 G HA3 -0.098 3.864 3.960 0.003 0.000 0.643 243 G C -3.112 171.837 174.900 0.082 0.000 1.358 243 G CA -1.333 43.833 45.100 0.111 0.000 0.986 243 G HN -0.215 nan 8.290 nan 0.000 0.620 244 P HA 0.291 nan 4.420 nan 0.000 0.266 244 P C -0.133 177.170 177.300 0.005 0.000 1.215 244 P CA 0.665 63.775 63.100 0.016 0.000 0.763 244 P CB 0.359 32.047 31.700 -0.021 0.000 0.806 245 D N 3.211 123.615 120.400 0.007 0.000 2.811 245 D HA -0.199 4.443 4.640 0.003 0.000 0.231 245 D C 1.121 177.446 176.300 0.041 0.000 1.157 245 D CA 1.942 55.950 54.000 0.015 0.000 0.716 245 D CB -1.582 39.208 40.800 -0.016 0.000 1.077 245 D HN 0.808 nan 8.370 nan 0.000 0.428 246 G N -0.406 108.433 108.800 0.065 0.000 2.148 246 G HA2 -0.325 3.637 3.960 0.003 0.000 0.254 246 G HA3 -0.325 3.637 3.960 0.003 0.000 0.254 246 G C 0.036 175.001 174.900 0.108 0.000 0.981 246 G CA 0.180 45.343 45.100 0.106 0.000 0.670 246 G HN 0.421 nan 8.290 nan 0.000 0.528 247 N N 1.444 120.171 118.700 0.044 0.000 2.426 247 N HA 0.377 5.119 4.740 0.003 0.000 0.257 247 N C -2.461 173.034 175.510 -0.024 0.000 1.002 247 N CA -1.256 51.785 53.050 -0.014 0.000 0.942 247 N CB 1.955 40.435 38.487 -0.011 0.000 1.112 247 N HN 0.122 nan 8.380 nan 0.000 0.499 248 P HA 0.056 nan 4.420 nan 0.000 0.226 248 P C -0.729 176.661 177.300 0.151 0.000 1.783 248 P CA -0.054 63.049 63.100 0.006 0.000 0.980 248 P CB -0.194 31.365 31.700 -0.235 0.000 1.967 249 D N 2.124 122.579 120.400 0.091 0.000 2.427 249 D HA 0.205 4.847 4.640 0.003 0.000 0.226 249 D C -1.738 174.591 176.300 0.049 0.000 1.076 249 D CA -2.516 51.524 54.000 0.067 0.000 0.849 249 D CB 1.549 42.364 40.800 0.026 0.000 1.052 249 D HN -0.006 nan 8.370 nan 0.000 0.515 250 P HA -0.079 nan 4.420 nan 0.000 0.223 250 P C 1.466 178.792 177.300 0.043 0.000 1.151 250 P CA 0.300 63.394 63.100 -0.010 0.000 0.787 250 P CB 0.553 32.181 31.700 -0.120 0.000 0.788 251 V N 0.221 120.154 119.914 0.031 0.000 2.346 251 V HA -0.153 3.969 4.120 0.003 0.000 0.244 251 V C 2.515 178.631 176.094 0.036 0.000 1.037 251 V CA 2.038 64.366 62.300 0.047 0.000 1.029 251 V CB -1.621 30.222 31.823 0.034 0.000 0.663 251 V HN 0.084 nan 8.190 nan 0.000 0.454 252 A N 0.272 123.108 122.820 0.027 0.000 1.877 252 A HA -0.142 4.180 4.320 0.003 0.000 0.216 252 A C 2.451 180.061 177.584 0.044 0.000 1.186 252 A CA 2.134 54.186 52.037 0.024 0.000 0.620 252 A CB -0.893 18.114 19.000 0.011 0.000 0.822 252 A HN 0.563 nan 8.150 nan 0.000 0.443 253 A N 0.005 122.861 122.820 0.060 0.000 1.917 253 A HA 0.031 4.353 4.320 0.003 0.000 0.219 253 A C 2.517 180.167 177.584 0.109 0.000 1.182 253 A CA 2.486 54.575 52.037 0.086 0.000 0.633 253 A CB -1.137 17.919 19.000 0.094 0.000 0.819 253 A HN 1.204 nan 8.150 nan 0.000 0.448 254 A N -0.635 122.253 122.820 0.114 0.000 1.940 254 A HA -0.208 4.114 4.320 0.003 0.000 0.219 254 A C 2.254 179.903 177.584 0.107 0.000 1.176 254 A CA 1.807 53.945 52.037 0.168 0.000 0.631 254 A CB -0.525 18.559 19.000 0.139 0.000 0.814 254 A HN 0.579 nan 8.150 nan 0.000 0.446 255 R N -0.479 120.056 120.500 0.058 0.000 2.081 255 R HA -0.167 4.175 4.340 0.003 0.000 0.235 255 R C 1.327 177.684 176.300 0.095 0.000 1.131 255 R CA 1.825 57.953 56.100 0.047 0.000 0.960 255 R CB -0.337 29.982 30.300 0.031 0.000 0.856 255 R HN 0.435 nan 8.270 nan 0.000 0.436 256 D N 0.368 120.837 120.400 0.115 0.000 2.144 256 D HA -0.123 4.519 4.640 0.003 0.000 0.199 256 D C 1.870 178.292 176.300 0.203 0.000 0.984 256 D CA 1.096 55.193 54.000 0.162 0.000 0.834 256 D CB -0.080 40.813 40.800 0.154 0.000 0.955 256 D HN 0.306 nan 8.370 nan 0.000 0.465 257 I N 0.314 121.003 120.570 0.198 0.000 2.179 257 I HA -0.226 3.946 4.170 0.003 0.000 0.242 257 I C 2.557 178.813 176.117 0.233 0.000 1.088 257 I CA 0.868 62.298 61.300 0.217 0.000 1.357 257 I CB -0.140 37.920 38.000 0.101 0.000 1.051 257 I HN -0.077 nan 8.210 nan 0.000 0.409 258 R N 0.852 121.479 120.500 0.211 0.000 2.081 258 R HA -0.238 4.104 4.340 0.003 0.000 0.235 258 R C 2.080 178.477 176.300 0.162 0.000 1.131 258 R CA 2.210 58.418 56.100 0.181 0.000 0.960 258 R CB -0.272 30.062 30.300 0.057 0.000 0.856 258 R HN 0.279 nan 8.270 nan 0.000 0.436 259 D N -0.435 120.054 120.400 0.148 0.000 2.084 259 D HA -0.146 4.496 4.640 0.003 0.000 0.194 259 D C 1.838 178.224 176.300 0.144 0.000 0.990 259 D CA 2.369 56.450 54.000 0.135 0.000 0.826 259 D CB -0.269 40.620 40.800 0.149 0.000 0.971 259 D HN 0.405 nan 8.370 nan 0.000 0.453 260 T N -2.041 112.621 114.554 0.180 0.000 2.777 260 T HA -0.143 4.209 4.350 0.003 0.000 0.266 260 T C 2.138 176.841 174.700 0.005 0.000 1.040 260 T CA 0.925 63.112 62.100 0.145 0.000 1.141 260 T CB -0.984 68.021 68.868 0.230 0.000 0.868 260 T HN 0.065 nan 8.240 nan 0.000 0.444 261 F N 2.342 122.184 119.950 -0.180 0.000 2.186 261 F HA 0.255 4.784 4.527 0.003 0.000 0.299 261 F C 2.938 178.686 175.800 -0.086 0.000 1.090 261 F CA 0.412 58.251 58.000 -0.268 0.000 1.307 261 F CB -0.950 37.912 39.000 -0.231 0.000 1.019 261 F HN 0.269 nan 8.300 nan 0.000 0.489 262 A N 0.231 123.138 122.820 0.145 0.000 1.908 262 A HA -0.221 4.101 4.320 0.003 0.000 0.218 262 A C 2.226 179.851 177.584 0.067 0.000 1.181 262 A CA 1.641 53.740 52.037 0.103 0.000 0.627 262 A CB -0.680 18.378 19.000 0.096 0.000 0.818 262 A HN 0.340 nan 8.150 nan 0.000 0.445 263 R N -0.993 119.537 120.500 0.050 0.000 2.316 263 R HA 0.118 4.460 4.340 0.003 0.000 0.202 263 R C 0.859 177.164 176.300 0.009 0.000 1.029 263 R CA 0.896 57.010 56.100 0.025 0.000 1.018 263 R CB -0.144 30.175 30.300 0.033 0.000 0.888 263 R HN 0.538 nan 8.270 nan 0.000 0.471 264 M N -0.755 118.860 119.600 0.025 0.000 2.484 264 M HA 0.300 4.782 4.480 0.003 0.000 0.307 264 M C 0.198 176.596 176.300 0.164 0.000 1.149 264 M CA -0.116 55.254 55.300 0.117 0.000 0.972 264 M CB 1.324 33.965 32.600 0.069 0.000 1.400 264 M HN 0.122 nan 8.290 nan 0.000 0.508 265 A N 0.595 123.484 122.820 0.115 0.000 3.157 265 A HA -0.119 4.203 4.320 0.003 0.000 0.237 265 A C -0.076 177.545 177.584 0.061 0.000 1.330 265 A CA 0.679 52.782 52.037 0.111 0.000 0.992 265 A CB -1.472 17.628 19.000 0.167 0.000 1.131 265 A HN 0.465 nan 8.150 nan 0.000 0.781 266 M N 0.861 120.510 119.600 0.081 0.000 2.311 266 M HA 0.412 4.894 4.480 0.003 0.000 0.325 266 M C 0.305 176.691 176.300 0.143 0.000 1.061 266 M CA -0.724 54.643 55.300 0.112 0.000 0.957 266 M CB 1.460 34.176 32.600 0.195 0.000 1.646 266 M HN 0.683 nan 8.290 nan 0.000 0.434 267 N N 1.046 119.823 118.700 0.129 0.000 2.418 267 N HA 0.222 4.964 4.740 0.003 0.000 0.283 267 N C 0.145 175.742 175.510 0.145 0.000 1.267 267 N CA -0.268 52.859 53.050 0.128 0.000 0.975 267 N CB 0.445 39.001 38.487 0.114 0.000 1.167 267 N HN 0.368 nan 8.380 nan 0.000 0.581 268 D N -0.491 120.003 120.400 0.156 0.000 2.116 268 D HA -0.209 4.433 4.640 0.003 0.000 0.193 268 D C 1.368 177.769 176.300 0.168 0.000 0.998 268 D CA 1.529 55.673 54.000 0.239 0.000 0.836 268 D CB -0.226 40.692 40.800 0.197 0.000 0.951 268 D HN 0.827 nan 8.370 nan 0.000 0.449 269 E N 0.459 120.744 120.200 0.141 0.000 2.077 269 E HA -0.203 4.149 4.350 0.003 0.000 0.193 269 E C 1.777 178.529 176.600 0.254 0.000 0.989 269 E CA 1.039 57.541 56.400 0.170 0.000 0.800 269 E CB 0.082 29.894 29.700 0.187 0.000 0.746 269 E HN 0.311 nan 8.360 nan 0.000 0.452 270 E N -0.484 119.837 120.200 0.201 0.000 2.110 270 E HA -0.143 4.209 4.350 0.003 0.000 0.193 270 E C 2.078 178.773 176.600 0.160 0.000 0.988 270 E CA 1.614 58.134 56.400 0.199 0.000 0.804 270 E CB 0.022 29.812 29.700 0.150 0.000 0.745 270 E HN 0.247 nan 8.360 nan 0.000 0.458 271 T N 0.598 115.178 114.554 0.044 0.000 2.701 271 T HA -0.123 4.229 4.350 0.003 0.000 0.263 271 T C 2.112 176.623 174.700 -0.314 0.000 1.040 271 T CA 1.161 63.110 62.100 -0.252 0.000 1.147 271 T CB -0.232 68.366 68.868 -0.449 0.000 0.865 271 T HN -0.024 nan 8.240 nan 0.000 0.426 272 V N 1.915 121.697 119.914 -0.221 0.000 2.287 272 V HA -0.192 3.930 4.120 0.003 0.000 0.248 272 V C 2.917 179.103 176.094 0.154 0.000 1.053 272 V CA 1.772 63.991 62.300 -0.136 0.000 1.027 272 V CB -1.286 30.505 31.823 -0.055 0.000 0.646 272 V HN 0.536 nan 8.190 nan 0.000 0.447 273 A N -0.435 122.632 122.820 0.411 0.000 1.902 273 A HA -0.147 4.175 4.320 0.003 0.000 0.217 273 A C 2.243 179.946 177.584 0.198 0.000 1.181 273 A CA 1.811 54.140 52.037 0.487 0.000 0.623 273 A CB -0.492 18.806 19.000 0.498 0.000 0.818 273 A HN 0.502 nan 8.150 nan 0.000 0.443 274 L N -0.797 120.527 121.223 0.167 0.000 2.044 274 L HA -0.125 4.217 4.340 0.003 0.000 0.205 274 L C 2.503 179.276 176.870 -0.162 0.000 1.075 274 L CA 1.206 56.153 54.840 0.178 0.000 0.747 274 L CB -0.416 41.826 42.059 0.306 0.000 0.903 274 L HN 0.376 nan 8.230 nan 0.000 0.435 275 I N -0.353 120.030 120.570 -0.312 0.000 2.202 275 I HA -0.237 3.935 4.170 0.003 0.000 0.242 275 I C 2.797 178.342 176.117 -0.953 0.000 1.091 275 I CA 1.103 62.044 61.300 -0.598 0.000 1.368 275 I CB -0.477 37.188 38.000 -0.557 0.000 1.058 275 I HN 0.169 nan 8.210 nan 0.000 0.410 276 A N 1.042 123.314 122.820 -0.914 0.000 1.902 276 A HA -0.134 4.188 4.320 0.003 0.000 0.217 276 A C 2.424 179.386 177.584 -1.037 0.000 1.181 276 A CA 1.991 53.127 52.037 -1.501 0.000 0.623 276 A CB -1.472 16.865 19.000 -1.104 0.000 0.818 276 A HN 0.468 nan 8.150 nan 0.000 0.443 277 G N -0.645 107.681 108.800 -0.789 0.000 2.421 277 G HA2 0.025 3.987 3.960 0.003 0.000 0.216 277 G HA3 0.025 3.987 3.960 0.003 0.000 0.216 277 G C 1.556 175.865 174.900 -0.984 0.000 1.171 277 G CA 1.276 45.501 45.100 -1.457 0.000 0.775 277 G HN 0.716 nan 8.290 nan 0.000 0.543 278 G N -0.286 108.116 108.800 -0.664 0.000 2.418 278 G HA2 -0.168 3.794 3.960 0.003 0.000 0.217 278 G HA3 -0.168 3.794 3.960 0.003 0.000 0.217 278 G C 1.434 176.202 174.900 -0.221 0.000 1.158 278 G CA 0.809 45.789 45.100 -0.200 0.000 0.771 278 G HN 0.658 nan 8.290 nan 0.000 0.545 279 H N -0.130 118.459 119.070 -0.801 0.000 2.543 279 H HA 0.107 4.665 4.556 0.004 0.000 0.269 279 H C 1.970 176.826 175.328 -0.787 0.000 1.005 279 H CA 0.173 55.452 56.048 -1.282 0.000 1.146 279 H CB 0.387 29.032 29.762 -1.861 0.000 1.353 279 H HN 0.238 nan 8.280 nan 0.000 0.595 280 T N 0.420 114.639 114.554 -0.559 0.000 3.035 280 T HA -0.051 4.301 4.350 0.003 0.000 0.268 280 T C 0.044 174.380 174.700 -0.607 0.000 1.109 280 T CA 0.880 62.622 62.100 -0.597 0.000 1.119 280 T CB -0.054 68.274 68.868 -0.899 0.000 0.900 280 T HN 0.097 nan 8.240 nan 0.000 0.503 281 F N -0.032 119.892 119.950 -0.042 0.000 2.546 281 F HA 0.591 5.120 4.527 0.003 0.000 0.320 281 F C 1.217 177.128 175.800 0.185 0.000 1.076 281 F CA -0.620 57.397 58.000 0.027 0.000 0.928 281 F CB 1.412 40.412 39.000 -0.000 0.000 1.189 281 F HN 0.195 nan 8.300 nan 0.000 0.465 282 G N 2.378 111.361 108.800 0.305 0.000 2.539 282 G HA2 -0.083 3.879 3.960 0.003 0.000 0.256 282 G HA3 -0.083 3.879 3.960 0.003 0.000 0.256 282 G C -0.959 174.164 174.900 0.371 0.000 1.233 282 G CA 0.140 45.450 45.100 0.349 0.000 0.936 282 G HN 1.137 nan 8.290 nan 0.000 0.571 283 K N -1.869 118.714 120.400 0.306 0.000 2.642 283 K HA 0.649 4.971 4.320 0.003 0.000 0.290 283 K C -0.223 176.199 176.600 -0.297 0.000 1.006 283 K CA -0.103 56.092 56.287 -0.154 0.000 0.869 283 K CB 0.966 33.404 32.500 -0.103 0.000 1.499 283 K HN 1.478 nan 8.250 nan 0.000 0.403 284 T N -1.272 112.953 114.554 -0.549 0.000 2.897 284 T HA 0.495 4.847 4.350 0.003 0.000 0.278 284 T C -0.709 173.561 174.700 -0.717 0.000 0.981 284 T CA -0.364 61.501 62.100 -0.392 0.000 0.973 284 T CB 0.623 69.330 68.868 -0.268 0.000 1.092 284 T HN 0.663 nan 8.240 nan 0.000 0.543 285 H N -1.294 117.751 119.070 -0.041 0.000 2.924 285 H HA 0.604 5.162 4.556 0.003 0.000 0.333 285 H C 0.267 175.564 175.328 -0.051 0.000 0.979 285 H CA -0.569 55.461 56.048 -0.031 0.000 1.326 285 H CB 1.635 31.418 29.762 0.034 0.000 1.600 285 H HN 1.052 nan 8.280 nan 0.000 0.520 286 G N 1.271 110.055 108.800 -0.026 0.000 4.973 286 G HA2 0.394 4.356 3.960 0.003 0.000 0.211 286 G HA3 0.394 4.356 3.960 0.003 0.000 0.211 286 G C 0.764 175.589 174.900 -0.125 0.000 0.784 286 G CA 0.142 45.198 45.100 -0.072 0.000 0.657 286 G HN 0.714 nan 8.290 nan 0.000 0.480 287 A N -0.380 122.371 122.820 -0.114 0.000 2.067 287 A HA 0.632 4.954 4.320 0.003 0.000 0.217 287 A C 1.389 178.722 177.584 -0.419 0.000 1.156 287 A CA 1.411 53.369 52.037 -0.131 0.000 0.683 287 A CB 0.137 19.167 19.000 0.049 0.000 0.808 287 A HN 1.285 nan 8.150 nan 0.000 0.455 288 G N -2.072 106.333 108.800 -0.658 0.000 2.663 288 G HA2 0.520 4.482 3.960 0.003 0.000 0.299 288 G HA3 0.520 4.482 3.960 0.003 0.000 0.299 288 G C -3.507 171.102 174.900 -0.485 0.000 1.372 288 G CA -1.213 43.306 45.100 -0.970 0.000 0.781 288 G HN -0.089 nan 8.290 nan 0.000 0.491 289 P HA 0.285 nan 4.420 nan 0.000 0.268 289 P C 0.715 177.946 177.300 -0.115 0.000 1.205 289 P CA 0.415 63.413 63.100 -0.171 0.000 0.771 289 P CB 1.238 32.875 31.700 -0.106 0.000 0.858 290 A N 2.582 125.360 122.820 -0.070 0.000 2.121 290 A HA -0.134 4.188 4.320 0.003 0.000 0.218 290 A C 2.003 179.592 177.584 0.008 0.000 1.154 290 A CA 1.718 53.740 52.037 -0.025 0.000 0.679 290 A CB -1.495 17.494 19.000 -0.019 0.000 0.795 290 A HN 0.596 nan 8.150 nan 0.000 0.458 291 S N 0.439 116.141 115.700 0.002 0.000 2.500 291 S HA -0.131 4.341 4.470 0.003 0.000 0.239 291 S C 1.366 175.991 174.600 0.041 0.000 0.989 291 S CA 1.080 59.293 58.200 0.022 0.000 0.951 291 S CB -0.624 62.584 63.200 0.013 0.000 0.759 291 S HN 0.623 nan 8.310 nan 0.000 0.523 292 N N 1.128 119.857 118.700 0.049 0.000 2.494 292 N HA 0.069 4.811 4.740 0.003 0.000 0.182 292 N C -0.167 175.403 175.510 0.100 0.000 1.076 292 N CA 0.391 53.493 53.050 0.088 0.000 0.908 292 N CB 0.088 38.656 38.487 0.136 0.000 0.967 292 N HN 0.321 nan 8.380 nan 0.000 0.449 293 V N 0.939 120.912 119.914 0.097 0.000 2.432 293 V HA 0.415 4.537 4.120 0.003 0.000 0.275 293 V C 1.066 177.232 176.094 0.121 0.000 1.043 293 V CA -0.712 61.669 62.300 0.136 0.000 0.925 293 V CB 1.170 33.089 31.823 0.161 0.000 0.985 293 V HN 0.077 nan 8.190 nan 0.000 0.466 294 G N 2.813 111.677 108.800 0.107 0.000 2.543 294 G HA2 0.599 4.561 3.960 0.003 0.000 0.267 294 G HA3 0.599 4.561 3.960 0.003 0.000 0.267 294 G C 0.145 175.032 174.900 -0.022 0.000 1.406 294 G CA -0.246 44.879 45.100 0.041 0.000 1.048 294 G HN 1.069 nan 8.290 nan 0.000 0.548 295 A N 0.211 122.974 122.820 -0.096 0.000 2.546 295 A HA 0.388 4.710 4.320 0.003 0.000 0.243 295 A C 0.989 178.303 177.584 -0.449 0.000 1.063 295 A CA -0.054 51.867 52.037 -0.193 0.000 0.757 295 A CB -0.105 18.807 19.000 -0.148 0.000 0.991 295 A HN 0.716 nan 8.150 nan 0.000 0.503 296 E N 3.237 123.054 120.200 -0.639 0.000 2.425 296 E HA 0.015 4.367 4.350 0.003 0.000 0.258 296 E C -2.110 173.990 176.600 -0.833 0.000 1.151 296 E CA -0.963 54.717 56.400 -1.201 0.000 0.958 296 E CB -0.357 28.851 29.700 -0.819 0.000 0.968 296 E HN 0.349 nan 8.360 nan 0.000 0.451 297 P HA -0.192 nan 4.420 nan 0.000 0.216 297 P C 0.998 178.108 177.300 -0.317 0.000 1.157 297 P CA 1.542 64.326 63.100 -0.525 0.000 0.880 297 P CB 0.153 31.580 31.700 -0.455 0.000 0.791 298 E N -1.087 118.958 120.200 -0.258 0.000 2.338 298 E HA -0.043 4.309 4.350 0.003 0.000 0.197 298 E C 1.730 178.262 176.600 -0.113 0.000 1.007 298 E CA 1.021 57.338 56.400 -0.138 0.000 0.849 298 E CB -0.407 29.253 29.700 -0.066 0.000 0.774 298 E HN 0.233 nan 8.360 nan 0.000 0.506 299 A N 0.679 123.408 122.820 -0.152 0.000 2.267 299 A HA 0.404 4.726 4.320 0.003 0.000 0.213 299 A C 1.249 178.759 177.584 -0.124 0.000 1.192 299 A CA 0.353 52.323 52.037 -0.111 0.000 0.851 299 A CB 0.219 19.162 19.000 -0.094 0.000 0.881 299 A HN 0.142 nan 8.150 nan 0.000 0.494 300 A N 0.163 122.882 122.820 -0.167 0.000 2.351 300 A HA 0.537 4.859 4.320 0.003 0.000 0.257 300 A C 0.997 178.517 177.584 -0.106 0.000 1.087 300 A CA 0.152 52.100 52.037 -0.149 0.000 0.798 300 A CB -0.339 18.547 19.000 -0.191 0.000 1.033 300 A HN 0.875 nan 8.150 nan 0.000 0.488 301 G N -0.242 108.508 108.800 -0.084 0.000 2.647 301 G HA2 0.261 4.223 3.960 0.003 0.000 0.234 301 G HA3 0.261 4.223 3.960 0.003 0.000 0.234 301 G C 0.893 175.749 174.900 -0.073 0.000 1.252 301 G CA 0.100 45.160 45.100 -0.067 0.000 0.846 301 G HN 0.841 nan 8.290 nan 0.000 0.589 302 I N 0.327 120.860 120.570 -0.062 0.000 2.264 302 I HA -0.165 4.007 4.170 0.003 0.000 0.248 302 I C 2.785 178.861 176.117 -0.067 0.000 1.111 302 I CA 1.707 62.969 61.300 -0.063 0.000 1.382 302 I CB 0.035 38.005 38.000 -0.050 0.000 1.060 302 I HN 0.749 nan 8.210 nan 0.000 0.418 303 E N 1.322 121.486 120.200 -0.059 0.000 2.409 303 E HA -0.176 4.176 4.350 0.003 0.000 0.198 303 E C 1.752 178.309 176.600 -0.073 0.000 1.024 303 E CA 1.140 57.505 56.400 -0.058 0.000 0.861 303 E CB -0.392 29.282 29.700 -0.044 0.000 0.788 303 E HN 0.530 nan 8.360 nan 0.000 0.521 304 A N 0.908 123.678 122.820 -0.084 0.000 2.168 304 A HA -0.094 4.228 4.320 0.003 0.000 0.215 304 A C 0.858 178.365 177.584 -0.128 0.000 1.152 304 A CA 0.479 52.455 52.037 -0.102 0.000 0.716 304 A CB -0.193 18.740 19.000 -0.112 0.000 0.794 304 A HN 0.181 nan 8.150 nan 0.000 0.465 305 Q N -2.221 117.505 119.800 -0.123 0.000 2.439 305 Q HA -0.255 4.087 4.340 0.003 0.000 0.325 305 Q C 0.929 176.828 176.000 -0.169 0.000 1.372 305 Q CA 1.230 56.949 55.803 -0.140 0.000 0.909 305 Q CB -2.358 26.295 28.738 -0.143 0.000 1.167 305 Q HN 1.738 nan 8.270 nan 0.000 0.418 306 G N -1.531 107.170 108.800 -0.165 0.000 2.176 306 G HA2 -0.296 3.666 3.960 0.003 0.000 0.253 306 G HA3 -0.296 3.666 3.960 0.003 0.000 0.253 306 G C 0.201 174.982 174.900 -0.198 0.000 0.979 306 G CA 0.342 45.331 45.100 -0.185 0.000 0.641 306 G HN 0.327 nan 8.290 nan 0.000 0.530 307 L N -0.107 121.003 121.223 -0.188 0.000 2.358 307 L HA 0.825 5.167 4.340 0.003 0.000 0.268 307 L C 1.000 177.745 176.870 -0.208 0.000 1.032 307 L CA -0.307 54.429 54.840 -0.174 0.000 0.805 307 L CB 1.701 43.669 42.059 -0.152 0.000 1.253 307 L HN 0.312 nan 8.230 nan 0.000 0.452 308 G N -2.094 106.584 108.800 -0.204 0.000 2.782 308 G HA2 0.375 4.337 3.960 0.003 0.000 0.304 308 G HA3 0.375 4.337 3.960 0.003 0.000 0.304 308 G C -1.401 173.479 174.900 -0.033 0.000 1.315 308 G CA -0.491 44.412 45.100 -0.328 0.000 0.791 308 G HN 0.702 nan 8.290 nan 0.000 0.519 309 W N 0.203 121.455 121.300 -0.080 0.000 5.770 309 W HA -0.166 4.496 4.660 0.003 0.000 0.389 309 W C 0.710 177.224 176.519 -0.009 0.000 1.469 309 W CA 0.894 58.207 57.345 -0.053 0.000 0.975 309 W CB -1.043 28.372 29.460 -0.075 0.000 2.622 309 W HN 0.610 nan 8.180 nan 0.000 1.500 310 K N 1.530 122.012 120.400 0.137 0.000 2.412 310 K HA 0.243 4.565 4.320 0.003 0.000 0.281 310 K C 0.477 177.166 176.600 0.149 0.000 1.027 310 K CA 0.385 56.751 56.287 0.131 0.000 0.989 310 K CB 0.810 33.348 32.500 0.064 0.000 0.935 310 K HN -0.023 nan 8.250 nan 0.000 0.475 311 S N 2.765 118.570 115.700 0.175 0.000 2.472 311 S HA 0.501 4.973 4.470 0.003 0.000 0.303 311 S C 0.279 174.960 174.600 0.135 0.000 1.099 311 S CA -0.471 57.830 58.200 0.168 0.000 1.077 311 S CB 1.567 64.892 63.200 0.208 0.000 1.031 311 S HN 0.691 nan 8.310 nan 0.000 0.487 312 A N 3.974 126.868 122.820 0.124 0.000 2.275 312 A HA 0.230 4.552 4.320 0.003 0.000 0.212 312 A C 0.094 177.745 177.584 0.110 0.000 1.201 312 A CA -0.025 52.067 52.037 0.093 0.000 0.843 312 A CB -0.366 18.679 19.000 0.075 0.000 0.873 312 A HN 0.833 nan 8.150 nan 0.000 0.492 313 Y N 2.170 122.484 120.300 0.025 0.000 2.486 313 Y HA 0.384 4.936 4.550 0.003 0.000 0.348 313 Y C 0.984 176.879 175.900 -0.008 0.000 1.000 313 Y CA -0.597 57.507 58.100 0.007 0.000 1.253 313 Y CB -0.281 38.183 38.460 0.007 0.000 1.140 313 Y HN 0.547 nan 8.280 nan 0.000 0.526 314 R N 0.495 120.674 120.500 -0.535 0.000 3.772 314 R HA -0.341 4.001 4.340 0.003 0.000 0.480 314 R C 1.599 177.778 176.300 -0.202 0.000 0.241 314 R CA 2.411 58.247 56.100 -0.440 0.000 1.508 314 R CB -1.692 28.205 30.300 -0.672 0.000 0.956 314 R HN 0.779 nan 8.270 nan 0.000 0.583 315 T N -0.774 113.674 114.554 -0.178 0.000 3.051 315 T HA 0.126 4.478 4.350 0.003 0.000 0.269 315 T C 1.438 176.115 174.700 -0.040 0.000 1.127 315 T CA 1.484 63.521 62.100 -0.105 0.000 1.107 315 T CB 0.007 68.790 68.868 -0.142 0.000 0.898 315 T HN 1.286 nan 8.240 nan 0.000 0.517 316 G N 1.676 110.474 108.800 -0.005 0.000 2.159 316 G HA2 -0.241 3.721 3.960 0.003 0.000 0.256 316 G HA3 -0.241 3.721 3.960 0.003 0.000 0.256 316 G C -0.061 174.905 174.900 0.111 0.000 0.977 316 G CA 0.543 45.703 45.100 0.099 0.000 0.652 316 G HN 1.055 nan 8.290 nan 0.000 0.531 317 K N -2.164 118.185 120.400 -0.085 0.000 2.672 317 K HA 0.614 4.936 4.320 0.003 0.000 0.295 317 K C 1.114 177.378 176.600 -0.561 0.000 1.042 317 K CA -0.024 56.027 56.287 -0.395 0.000 0.869 317 K CB 0.877 33.225 32.500 -0.253 0.000 1.541 317 K HN 1.756 nan 8.250 nan 0.000 0.396 318 G N 0.808 109.098 108.800 -0.850 0.000 2.660 318 G HA2 -0.450 3.512 3.960 0.003 0.000 0.321 318 G HA3 -0.450 3.512 3.960 0.003 0.000 0.321 318 G C 1.111 175.569 174.900 -0.737 0.000 1.246 318 G CA 1.902 46.463 45.100 -0.898 0.000 1.000 318 G HN 1.393 nan 8.290 nan 0.000 0.550 319 A N -0.792 121.370 122.820 -1.096 0.000 2.024 319 A HA 0.057 4.379 4.320 0.003 0.000 0.220 319 A C 1.775 179.259 177.584 -0.166 0.000 1.164 319 A CA 2.558 54.320 52.037 -0.458 0.000 0.643 319 A CB -0.327 18.426 19.000 -0.412 0.000 0.806 319 A HN 0.610 nan 8.150 nan 0.000 0.451 320 D N -0.293 120.000 120.400 -0.178 0.000 2.363 320 D HA 0.356 4.998 4.640 0.003 0.000 0.214 320 D C 0.652 177.004 176.300 0.086 0.000 1.093 320 D CA 0.568 54.591 54.000 0.040 0.000 0.837 320 D CB -0.112 40.679 40.800 -0.014 0.000 0.948 320 D HN 0.429 nan 8.370 nan 0.000 0.507 321 A N 0.889 123.691 122.820 -0.030 0.000 2.531 321 A HA 0.303 4.625 4.320 0.003 0.000 0.236 321 A C 0.225 177.891 177.584 0.137 0.000 1.062 321 A CA 0.330 52.380 52.037 0.021 0.000 0.760 321 A CB 0.111 19.030 19.000 -0.135 0.000 0.995 321 A HN 0.202 nan 8.150 nan 0.000 0.501 322 I N 2.380 123.048 120.570 0.163 0.000 2.468 322 I HA 0.282 4.454 4.170 0.003 0.000 0.284 322 I C 0.466 176.642 176.117 0.099 0.000 1.038 322 I CA -0.211 61.151 61.300 0.104 0.000 1.083 322 I CB 2.225 40.252 38.000 0.044 0.000 1.223 322 I HN 0.779 nan 8.210 nan 0.000 0.443 323 T N 1.239 115.843 114.554 0.083 0.000 3.397 323 T HA -0.024 4.328 4.350 0.003 0.000 0.233 323 T C 1.621 176.281 174.700 -0.067 0.000 0.969 323 T CA 0.897 62.983 62.100 -0.025 0.000 1.316 323 T CB 0.064 68.957 68.868 0.041 0.000 1.175 323 T HN 0.622 nan 8.240 nan 0.000 0.381 324 S N 0.478 116.179 115.700 0.003 0.000 2.470 324 S HA 0.359 4.831 4.470 0.003 0.000 0.225 324 S C 1.941 176.532 174.600 -0.016 0.000 1.006 324 S CA 1.049 59.246 58.200 -0.005 0.000 0.934 324 S CB -0.105 63.118 63.200 0.038 0.000 0.778 324 S HN 0.973 nan 8.310 nan 0.000 0.517 325 G N 0.590 109.377 108.800 -0.022 0.000 2.194 325 G HA2 -0.198 3.764 3.960 0.003 0.000 0.236 325 G HA3 -0.198 3.764 3.960 0.003 0.000 0.236 325 G C -0.105 174.756 174.900 -0.066 0.000 0.987 325 G CA 0.180 45.249 45.100 -0.050 0.000 0.635 325 G HN 0.514 nan 8.290 nan 0.000 0.520 326 L N 0.146 121.336 121.223 -0.055 0.000 2.360 326 L HA 0.774 5.116 4.340 0.003 0.000 0.271 326 L C 0.324 177.111 176.870 -0.137 0.000 1.057 326 L CA -0.815 53.976 54.840 -0.082 0.000 0.803 326 L CB 1.658 43.688 42.059 -0.049 0.000 1.207 326 L HN 0.077 nan 8.230 nan 0.000 0.445 327 E N 1.708 121.802 120.200 -0.177 0.000 3.108 327 E HA 0.412 4.764 4.350 0.003 0.000 0.228 327 E C -1.712 174.707 176.600 -0.302 0.000 1.176 327 E CA -0.174 56.084 56.400 -0.238 0.000 0.881 327 E CB 0.959 30.539 29.700 -0.200 0.000 1.354 327 E HN 0.219 nan 8.360 nan 0.000 0.400 328 V N 2.418 122.078 119.914 -0.424 0.000 2.604 328 V HA 0.609 4.731 4.120 0.003 0.000 0.305 328 V C -0.344 175.276 176.094 -0.791 0.000 1.043 328 V CA -0.664 61.289 62.300 -0.579 0.000 0.888 328 V CB 2.327 33.758 31.823 -0.654 0.000 0.995 328 V HN 0.524 nan 8.190 nan 0.000 0.429 329 T N 4.153 118.344 114.554 -0.604 0.000 2.840 329 T HA 0.303 4.655 4.350 0.003 0.000 0.287 329 T C 0.388 174.902 174.700 -0.310 0.000 0.991 329 T CA -0.425 61.401 62.100 -0.456 0.000 0.964 329 T CB 1.028 69.821 68.868 -0.124 0.000 0.954 329 T HN 0.718 nan 8.240 nan 0.000 0.438 330 W N 2.488 123.766 121.300 -0.036 0.000 2.523 330 W HA 0.046 4.709 4.660 0.004 0.000 0.278 330 W C 1.412 177.915 176.519 -0.027 0.000 1.236 330 W CA 0.469 57.800 57.345 -0.022 0.000 1.306 330 W CB -0.251 29.244 29.460 0.057 0.000 1.101 330 W HN 0.603 nan 8.180 nan 0.000 0.577 331 T N -3.367 111.287 114.554 0.167 0.000 2.916 331 T HA 0.287 4.639 4.350 0.003 0.000 0.292 331 T C 1.006 175.703 174.700 -0.005 0.000 1.064 331 T CA 0.060 62.193 62.100 0.055 0.000 1.011 331 T CB 2.223 71.076 68.868 -0.025 0.000 1.152 331 T HN -0.058 nan 8.240 nan 0.000 0.510 332 T N -1.574 112.974 114.554 -0.009 0.000 3.085 332 T HA 0.121 4.473 4.350 0.003 0.000 0.263 332 T C 0.991 175.655 174.700 -0.060 0.000 1.127 332 T CA 0.858 62.949 62.100 -0.015 0.000 1.103 332 T CB -0.745 68.130 68.868 0.011 0.000 0.921 332 T HN 1.048 nan 8.240 nan 0.000 0.510 333 T N -1.050 113.440 114.554 -0.106 0.000 3.305 333 T HA 0.483 4.835 4.350 0.003 0.000 0.348 333 T C -2.628 171.944 174.700 -0.213 0.000 1.394 333 T CA -1.466 60.548 62.100 -0.142 0.000 1.549 333 T CB 1.494 70.305 68.868 -0.096 0.000 0.962 333 T HN -0.111 nan 8.240 nan 0.000 0.609 334 P HA -0.045 nan 4.420 nan 0.000 0.223 334 P C 1.366 178.524 177.300 -0.237 0.000 1.144 334 P CA 1.009 63.867 63.100 -0.404 0.000 0.783 334 P CB -0.014 31.104 31.700 -0.969 0.000 0.771 335 T N -5.402 109.016 114.554 -0.227 0.000 3.174 335 T HA 0.276 4.628 4.350 0.003 0.000 0.269 335 T C 0.252 174.942 174.700 -0.017 0.000 1.017 335 T CA -0.342 61.677 62.100 -0.136 0.000 0.899 335 T CB -0.362 68.387 68.868 -0.199 0.000 1.077 335 T HN 0.071 nan 8.240 nan 0.000 0.552 336 Q N 0.456 120.288 119.800 0.054 0.000 2.315 336 Q HA 0.311 4.653 4.340 0.003 0.000 0.273 336 Q C -1.223 174.843 176.000 0.111 0.000 1.053 336 Q CA -0.956 54.931 55.803 0.139 0.000 0.817 336 Q CB 1.902 30.680 28.738 0.066 0.000 1.326 336 Q HN 0.516 nan 8.270 nan 0.000 0.423 337 W N 3.458 124.821 121.300 0.106 0.000 2.314 337 W HA 0.141 4.803 4.660 0.003 0.000 0.339 337 W C -0.542 175.868 176.519 -0.182 0.000 1.293 337 W CA 1.328 58.628 57.345 -0.075 0.000 1.288 337 W CB 0.653 30.232 29.460 0.199 0.000 1.186 337 W HN 0.810 nan 8.180 nan 0.000 0.566 338 S N 3.470 118.452 115.700 -1.197 0.000 2.727 338 S HA 0.331 4.803 4.470 0.003 0.000 0.278 338 S C -1.031 172.781 174.600 -1.314 0.000 1.186 338 S CA -0.832 56.790 58.200 -0.963 0.000 0.836 338 S CB 1.905 64.830 63.200 -0.458 0.000 1.186 338 S HN 0.590 nan 8.310 nan 0.000 0.499 339 H N 0.216 119.088 119.070 -0.330 0.000 2.475 339 H HA 0.469 5.027 4.556 0.003 0.000 0.276 339 H C 1.174 176.506 175.328 0.006 0.000 1.126 339 H CA -0.273 55.714 56.048 -0.102 0.000 1.023 339 H CB -0.003 29.799 29.762 0.066 0.000 1.669 339 H HN 0.626 nan 8.280 nan 0.000 0.573 340 N N 0.175 118.852 118.700 -0.038 0.000 2.457 340 N HA -0.121 4.621 4.740 0.003 0.000 0.180 340 N C 1.388 176.912 175.510 0.024 0.000 1.050 340 N CA 0.213 53.273 53.050 0.017 0.000 0.906 340 N CB 0.149 38.622 38.487 -0.024 0.000 0.968 340 N HN 0.277 nan 8.380 nan 0.000 0.445 341 F N 0.975 120.809 119.950 -0.194 0.000 2.051 341 F HA -0.129 4.400 4.527 0.003 0.000 0.296 341 F C 1.617 177.259 175.800 -0.265 0.000 1.122 341 F CA 1.655 59.480 58.000 -0.292 0.000 1.201 341 F CB -0.544 38.115 39.000 -0.567 0.000 0.978 341 F HN -0.044 nan 8.300 nan 0.000 0.472 342 F N 0.702 120.683 119.950 0.051 0.000 2.186 342 F HA -0.138 4.391 4.527 0.003 0.000 0.299 342 F C 2.355 178.009 175.800 -0.243 0.000 1.090 342 F CA 1.244 59.180 58.000 -0.107 0.000 1.307 342 F CB -0.568 38.464 39.000 0.053 0.000 1.019 342 F HN 0.017 nan 8.300 nan 0.000 0.489 343 E N 0.412 120.665 120.200 0.088 0.000 2.058 343 E HA -0.226 4.126 4.350 0.003 0.000 0.194 343 E C 1.834 178.435 176.600 0.002 0.000 0.997 343 E CA 1.466 57.901 56.400 0.058 0.000 0.801 343 E CB -0.261 29.529 29.700 0.151 0.000 0.746 343 E HN 0.368 nan 8.360 nan 0.000 0.450 344 N N 0.792 119.522 118.700 0.050 0.000 2.106 344 N HA -0.136 4.606 4.740 0.003 0.000 0.188 344 N C 1.862 177.557 175.510 0.309 0.000 1.029 344 N CA 0.580 53.773 53.050 0.239 0.000 0.848 344 N CB -0.456 38.211 38.487 0.299 0.000 1.007 344 N HN 0.054 nan 8.380 nan 0.000 0.423 345 L N 0.139 121.318 121.223 -0.073 0.000 2.013 345 L HA -0.099 4.243 4.340 0.003 0.000 0.212 345 L C 1.640 178.442 176.870 -0.112 0.000 1.073 345 L CA 1.708 56.407 54.840 -0.235 0.000 0.753 345 L CB -0.626 41.008 42.059 -0.708 0.000 0.890 345 L HN 0.099 nan 8.230 nan 0.000 0.432 346 F N -1.831 118.094 119.950 -0.041 0.000 2.698 346 F HA 0.184 4.713 4.527 0.003 0.000 0.295 346 F C 2.179 177.918 175.800 -0.101 0.000 1.124 346 F CA 0.384 58.324 58.000 -0.100 0.000 1.426 346 F CB -0.227 38.621 39.000 -0.252 0.000 1.120 346 F HN 0.148 nan 8.300 nan 0.000 0.583 347 G N -1.191 107.597 108.800 -0.021 0.000 2.683 347 G HA2 0.004 3.966 3.960 0.003 0.000 0.213 347 G HA3 0.004 3.966 3.960 0.003 0.000 0.213 347 G C -0.102 174.478 174.900 -0.532 0.000 1.142 347 G CA 0.282 45.209 45.100 -0.288 0.000 0.793 347 G HN 0.225 nan 8.290 nan 0.000 0.534 348 Y N -0.299 119.902 120.300 -0.165 0.000 2.598 348 Y HA 0.571 5.123 4.550 0.003 0.000 0.340 348 Y C -0.068 175.530 175.900 -0.504 0.000 1.038 348 Y CA -1.330 56.506 58.100 -0.440 0.000 1.100 348 Y CB 1.500 39.441 38.460 -0.865 0.000 1.281 348 Y HN -0.181 nan 8.280 nan 0.000 0.488 349 E N 0.656 120.693 120.200 -0.272 0.000 2.248 349 E HA 0.207 4.559 4.350 0.003 0.000 0.272 349 E C -1.619 174.769 176.600 -0.354 0.000 1.008 349 E CA -0.585 55.712 56.400 -0.171 0.000 0.856 349 E CB 1.307 31.008 29.700 0.003 0.000 1.120 349 E HN 0.555 nan 8.360 nan 0.000 0.397 350 W N 0.683 122.100 121.300 0.196 0.000 2.632 350 W HA 0.363 5.025 4.660 0.004 0.000 0.328 350 W C 0.303 177.055 176.519 0.388 0.000 1.044 350 W CA -0.628 56.871 57.345 0.256 0.000 1.225 350 W CB 1.467 31.036 29.460 0.181 0.000 1.396 350 W HN 0.366 nan 8.180 nan 0.000 0.499 351 E N 2.277 122.827 120.200 0.583 0.000 2.210 351 E HA 0.399 4.751 4.350 0.003 0.000 0.266 351 E C -1.430 175.238 176.600 0.114 0.000 0.883 351 E CA -1.127 55.464 56.400 0.319 0.000 0.761 351 E CB 1.529 31.309 29.700 0.134 0.000 1.156 351 E HN 0.402 nan 8.360 nan 0.000 0.412 352 L N 3.857 124.890 121.223 -0.315 0.000 2.367 352 L HA 0.352 4.694 4.340 0.003 0.000 0.275 352 L C -0.191 176.459 176.870 -0.367 0.000 1.129 352 L CA 0.994 55.347 54.840 -0.812 0.000 0.839 352 L CB 1.097 42.602 42.059 -0.924 0.000 1.133 352 L HN 0.663 nan 8.230 nan 0.000 0.453 353 T N 4.111 118.470 114.554 -0.326 0.000 2.654 353 T HA 0.550 4.902 4.350 0.003 0.000 0.289 353 T C -1.171 173.444 174.700 -0.141 0.000 1.062 353 T CA -0.727 61.274 62.100 -0.164 0.000 1.041 353 T CB 1.080 69.891 68.868 -0.095 0.000 1.417 353 T HN 0.598 nan 8.240 nan 0.000 0.510 354 K N 1.344 121.677 120.400 -0.113 0.000 2.375 354 K HA 0.562 4.884 4.320 0.003 0.000 0.249 354 K C -0.173 176.360 176.600 -0.112 0.000 0.942 354 K CA -0.786 55.425 56.287 -0.126 0.000 0.806 354 K CB 1.971 34.386 32.500 -0.142 0.000 1.227 354 K HN 0.787 nan 8.250 nan 0.000 0.430 355 S N 1.065 116.694 115.700 -0.119 0.000 2.596 355 S HA 0.140 4.612 4.470 0.003 0.000 0.260 355 S C -1.791 172.738 174.600 -0.119 0.000 1.336 355 S CA -0.810 57.320 58.200 -0.117 0.000 0.993 355 S CB 0.395 63.524 63.200 -0.118 0.000 0.923 355 S HN 0.344 nan 8.310 nan 0.000 0.567 356 P HA 0.084 nan 4.420 nan 0.000 0.226 356 P C 0.778 177.985 177.300 -0.155 0.000 1.146 356 P CA 1.285 64.307 63.100 -0.130 0.000 0.773 356 P CB -0.187 31.428 31.700 -0.141 0.000 0.772 357 A N -1.185 121.543 122.820 -0.153 0.000 2.308 357 A HA 0.512 4.834 4.320 0.003 0.000 0.217 357 A C 1.589 179.098 177.584 -0.126 0.000 1.216 357 A CA 0.579 52.529 52.037 -0.145 0.000 0.864 357 A CB -0.862 18.058 19.000 -0.133 0.000 0.902 357 A HN 0.216 nan 8.150 nan 0.000 0.499 358 G N -1.761 106.958 108.800 -0.134 0.000 2.141 358 G HA2 0.117 4.079 3.960 0.003 0.000 0.242 358 G HA3 0.117 4.079 3.960 0.003 0.000 0.242 358 G C 0.352 175.122 174.900 -0.217 0.000 0.982 358 G CA 0.251 45.256 45.100 -0.158 0.000 0.662 358 G HN 1.535 nan 8.290 nan 0.000 0.527 359 A N 0.533 123.244 122.820 -0.182 0.000 2.316 359 A HA 0.673 4.995 4.320 0.003 0.000 0.284 359 A C 0.439 177.903 177.584 -0.200 0.000 1.115 359 A CA -0.530 51.397 52.037 -0.183 0.000 0.812 359 A CB 0.315 19.263 19.000 -0.088 0.000 1.064 359 A HN 0.424 nan 8.150 nan 0.000 0.489 360 H N 1.626 120.655 119.070 -0.069 0.000 2.803 360 H HA 0.284 4.842 4.556 0.003 0.000 0.330 360 H C 0.377 175.649 175.328 -0.094 0.000 1.057 360 H CA 0.897 56.875 56.048 -0.118 0.000 1.458 360 H CB 0.544 30.247 29.762 -0.100 0.000 1.470 360 H HN 0.790 nan 8.280 nan 0.000 0.560 361 Q N 1.858 121.624 119.800 -0.057 0.000 2.814 361 Q HA 0.416 4.758 4.340 0.003 0.000 0.322 361 Q C -1.682 174.207 176.000 -0.184 0.000 0.861 361 Q CA -1.095 54.706 55.803 -0.003 0.000 0.773 361 Q CB 1.732 30.481 28.738 0.019 0.000 1.423 361 Q HN 0.403 nan 8.270 nan 0.000 0.495 362 W N 0.202 121.516 121.300 0.024 0.000 2.844 362 W HA 0.745 5.407 4.660 0.004 0.000 0.340 362 W C -1.142 175.499 176.519 0.202 0.000 1.093 362 W CA -0.741 56.668 57.345 0.108 0.000 1.212 362 W CB 2.217 31.724 29.460 0.078 0.000 1.422 362 W HN 0.492 nan 8.180 nan 0.000 0.515 363 V N 2.344 122.563 119.914 0.508 0.000 2.789 363 V HA 0.824 4.946 4.120 0.003 0.000 0.311 363 V C -0.550 175.675 176.094 0.219 0.000 1.073 363 V CA -1.133 61.368 62.300 0.335 0.000 0.921 363 V CB 1.654 33.539 31.823 0.104 0.000 1.009 363 V HN 0.685 nan 8.190 nan 0.000 0.426 364 A N 5.989 128.704 122.820 -0.174 0.000 2.451 364 A HA 0.393 4.715 4.320 0.003 0.000 0.266 364 A C 0.290 177.625 177.584 -0.415 0.000 1.119 364 A CA -0.098 51.459 52.037 -0.799 0.000 0.786 364 A CB -0.209 17.970 19.000 -1.369 0.000 1.061 364 A HN 0.820 nan 8.150 nan 0.000 0.503 365 K N 1.743 121.966 120.400 -0.294 0.000 2.447 365 K HA 0.303 4.625 4.320 0.003 0.000 0.281 365 K C 1.186 177.726 176.600 -0.099 0.000 1.031 365 K CA 0.947 57.159 56.287 -0.126 0.000 1.019 365 K CB 0.347 32.812 32.500 -0.059 0.000 0.918 365 K HN 1.371 nan 8.250 nan 0.000 0.476 366 G N 1.470 110.228 108.800 -0.070 0.000 2.155 366 G HA2 -0.327 3.635 3.960 0.003 0.000 0.257 366 G HA3 -0.327 3.635 3.960 0.003 0.000 0.257 366 G C 0.225 175.108 174.900 -0.028 0.000 0.983 366 G CA 0.307 45.387 45.100 -0.033 0.000 0.676 366 G HN 0.826 nan 8.290 nan 0.000 0.528 367 A N -0.353 122.400 122.820 -0.112 0.000 2.322 367 A HA 0.597 4.919 4.320 0.003 0.000 0.269 367 A C 0.367 177.908 177.584 -0.072 0.000 1.094 367 A CA -0.070 51.888 52.037 -0.131 0.000 0.807 367 A CB 0.497 19.179 19.000 -0.530 0.000 1.047 367 A HN 0.239 nan 8.150 nan 0.000 0.487 368 D N 0.491 120.880 120.400 -0.018 0.000 2.344 368 D HA 0.410 5.052 4.640 0.003 0.000 0.244 368 D C 0.409 176.689 176.300 -0.034 0.000 1.134 368 D CA 0.577 54.568 54.000 -0.014 0.000 0.930 368 D CB 1.028 41.837 40.800 0.016 0.000 1.175 368 D HN 0.612 nan 8.370 nan 0.000 0.437 369 A N 1.241 124.043 122.820 -0.029 0.000 2.797 369 A HA 0.263 4.585 4.320 0.003 0.000 0.296 369 A C 1.078 178.649 177.584 -0.021 0.000 1.580 369 A CA -0.352 51.665 52.037 -0.033 0.000 1.277 369 A CB -0.722 18.244 19.000 -0.057 0.000 1.101 369 A HN 0.401 nan 8.150 nan 0.000 0.562 370 V N 0.602 120.516 119.914 -0.001 0.000 3.605 370 V HA 0.345 4.467 4.120 0.003 0.000 0.284 370 V C 0.355 176.467 176.094 0.029 0.000 1.386 370 V CA -0.045 62.266 62.300 0.018 0.000 1.053 370 V CB -0.371 31.478 31.823 0.044 0.000 0.857 370 V HN 0.532 nan 8.190 nan 0.000 0.436 371 I N 4.117 124.713 120.570 0.044 0.000 2.342 371 I HA 0.471 4.643 4.170 0.003 0.000 0.291 371 I C -2.356 173.827 176.117 0.111 0.000 1.010 371 I CA -2.271 59.074 61.300 0.075 0.000 1.308 371 I CB 1.200 39.257 38.000 0.095 0.000 1.400 371 I HN 0.141 nan 8.210 nan 0.000 0.488 372 P HA 0.143 nan 4.420 nan 0.000 0.274 372 P C -0.672 176.809 177.300 0.301 0.000 1.237 372 P CA -0.305 62.887 63.100 0.154 0.000 0.793 372 P CB 1.015 32.803 31.700 0.146 0.000 0.977 373 D N 0.014 120.534 120.400 0.201 0.000 2.304 373 D HA 0.326 4.968 4.640 0.003 0.000 0.247 373 D C 1.271 177.563 176.300 -0.013 0.000 1.089 373 D CA -0.351 53.766 54.000 0.195 0.000 0.910 373 D CB 0.789 41.658 40.800 0.115 0.000 1.199 373 D HN 0.279 nan 8.370 nan 0.000 0.426 374 A N 2.462 125.066 122.820 -0.361 0.000 2.066 374 A HA -0.004 4.318 4.320 0.003 0.000 0.218 374 A C 1.148 178.073 177.584 -1.098 0.000 1.157 374 A CA 0.969 52.251 52.037 -1.260 0.000 0.670 374 A CB -0.342 17.869 19.000 -1.315 0.000 0.804 374 A HN 0.651 nan 8.150 nan 0.000 0.453 375 F N -1.846 117.960 119.950 -0.241 0.000 2.856 375 F HA 0.249 4.778 4.527 0.003 0.000 0.338 375 F C 0.099 175.846 175.800 -0.088 0.000 1.005 375 F CA -0.529 57.374 58.000 -0.160 0.000 1.155 375 F CB 0.746 39.648 39.000 -0.162 0.000 1.010 375 F HN 0.013 nan 8.300 nan 0.000 0.587 376 D N 1.454 121.901 120.400 0.080 0.000 2.441 376 D HA 0.275 4.917 4.640 0.003 0.000 0.231 376 D C -2.061 174.246 176.300 0.013 0.000 1.073 376 D CA -2.391 51.635 54.000 0.045 0.000 0.850 376 D CB 1.804 42.629 40.800 0.042 0.000 1.062 376 D HN -0.113 nan 8.370 nan 0.000 0.524 377 P HA -0.144 nan 4.420 nan 0.000 0.218 377 P C 1.164 178.457 177.300 -0.011 0.000 1.146 377 P CA 1.002 64.103 63.100 0.001 0.000 0.813 377 P CB 0.195 31.897 31.700 0.003 0.000 0.778 378 S N -2.394 113.297 115.700 -0.016 0.000 2.603 378 S HA 0.052 4.524 4.470 0.003 0.000 0.220 378 S C 0.731 175.298 174.600 -0.055 0.000 0.967 378 S CA 0.181 58.364 58.200 -0.028 0.000 0.920 378 S CB -0.570 62.618 63.200 -0.021 0.000 0.773 378 S HN 0.071 nan 8.310 nan 0.000 0.529 379 K N 1.236 121.590 120.400 -0.076 0.000 2.244 379 K HA 0.507 4.829 4.320 0.003 0.000 0.260 379 K C -0.601 175.849 176.600 -0.250 0.000 0.951 379 K CA -0.582 55.604 56.287 -0.168 0.000 0.826 379 K CB 1.544 33.947 32.500 -0.161 0.000 1.108 379 K HN 0.134 nan 8.250 nan 0.000 0.433 380 K N 1.804 122.004 120.400 -0.333 0.000 2.400 380 K HA 0.486 4.808 4.320 0.003 0.000 0.246 380 K C -0.678 175.617 176.600 -0.510 0.000 0.995 380 K CA -1.004 55.090 56.287 -0.321 0.000 0.840 380 K CB 1.938 34.364 32.500 -0.124 0.000 1.293 380 K HN 0.556 nan 8.250 nan 0.000 0.445 381 H N 0.654 119.718 119.070 -0.009 0.000 2.928 381 H HA 0.326 4.884 4.556 0.003 0.000 0.371 381 H C -0.279 175.023 175.328 -0.044 0.000 1.186 381 H CA -0.811 55.221 56.048 -0.027 0.000 1.134 381 H CB 1.650 31.395 29.762 -0.028 0.000 1.824 381 H HN 0.313 nan 8.280 nan 0.000 0.554 382 R N 1.254 121.796 120.500 0.072 0.000 2.641 382 R HA 0.194 4.536 4.340 0.003 0.000 0.269 382 R C -2.318 173.962 176.300 -0.034 0.000 1.074 382 R CA -1.511 54.568 56.100 -0.036 0.000 1.133 382 R CB -0.184 30.070 30.300 -0.077 0.000 1.029 382 R HN 0.272 nan 8.270 nan 0.000 0.488 383 P HA -0.013 nan 4.420 nan 0.000 0.266 383 P C -0.632 176.759 177.300 0.151 0.000 1.195 383 P CA 0.309 63.405 63.100 -0.008 0.000 0.768 383 P CB 0.777 32.406 31.700 -0.118 0.000 0.838 384 T N -0.124 114.526 114.554 0.160 0.000 2.883 384 T HA 0.841 5.193 4.350 0.003 0.000 0.296 384 T C -0.664 173.996 174.700 -0.067 0.000 1.117 384 T CA -0.841 61.346 62.100 0.145 0.000 1.006 384 T CB 1.206 70.049 68.868 -0.042 0.000 1.191 384 T HN 0.116 nan 8.240 nan 0.000 0.508 385 M N 1.376 120.892 119.600 -0.140 0.000 2.569 385 M HA 0.460 4.942 4.480 0.003 0.000 0.279 385 M C -1.265 175.048 176.300 0.022 0.000 1.253 385 M CA -0.671 54.504 55.300 -0.208 0.000 0.867 385 M CB 2.302 34.431 32.600 -0.785 0.000 1.727 385 M HN 0.685 nan 8.290 nan 0.000 0.467 386 L N 0.580 121.889 121.223 0.143 0.000 2.421 386 L HA 0.386 4.728 4.340 0.003 0.000 0.263 386 L C 1.512 178.465 176.870 0.138 0.000 1.122 386 L CA -0.316 54.657 54.840 0.222 0.000 0.804 386 L CB 0.657 42.884 42.059 0.280 0.000 1.150 386 L HN 0.780 nan 8.230 nan 0.000 0.457 387 T N -0.566 114.152 114.554 0.274 0.000 2.685 387 T HA -0.222 4.130 4.350 0.003 0.000 0.268 387 T C 1.809 176.519 174.700 0.016 0.000 1.034 387 T CA 2.292 64.474 62.100 0.136 0.000 1.149 387 T CB -0.318 68.740 68.868 0.316 0.000 0.860 387 T HN 0.943 nan 8.240 nan 0.000 0.449 388 T N 0.548 115.165 114.554 0.104 0.000 2.915 388 T HA -0.122 4.230 4.350 0.003 0.000 0.269 388 T C 1.501 176.227 174.700 0.044 0.000 1.071 388 T CA 1.212 63.368 62.100 0.094 0.000 1.132 388 T CB -0.336 68.625 68.868 0.156 0.000 0.878 388 T HN 0.276 nan 8.240 nan 0.000 0.479 389 D N 1.604 122.046 120.400 0.069 0.000 2.117 389 D HA 0.040 4.682 4.640 0.003 0.000 0.198 389 D C 2.200 178.419 176.300 -0.134 0.000 0.982 389 D CA 0.744 54.774 54.000 0.050 0.000 0.828 389 D CB -0.288 40.591 40.800 0.131 0.000 0.967 389 D HN 0.364 nan 8.370 nan 0.000 0.464 390 L N 1.017 122.083 121.223 -0.261 0.000 2.191 390 L HA -0.134 4.208 4.340 0.003 0.000 0.212 390 L C 2.405 179.243 176.870 -0.053 0.000 1.103 390 L CA 0.621 55.289 54.840 -0.287 0.000 0.769 390 L CB -0.437 41.318 42.059 -0.506 0.000 0.908 390 L HN -0.052 nan 8.230 nan 0.000 0.438 391 S N 0.474 116.164 115.700 -0.016 0.000 2.407 391 S HA -0.196 4.276 4.470 0.003 0.000 0.235 391 S C 1.888 176.553 174.600 0.108 0.000 1.036 391 S CA 1.290 59.542 58.200 0.087 0.000 1.013 391 S CB -0.323 62.941 63.200 0.108 0.000 0.820 391 S HN 0.391 nan 8.310 nan 0.000 0.476 392 L N 0.328 121.536 121.223 -0.026 0.000 2.376 392 L HA 0.037 4.379 4.340 0.003 0.000 0.219 392 L C 2.564 179.393 176.870 -0.067 0.000 1.133 392 L CA 0.874 55.688 54.840 -0.042 0.000 0.816 392 L CB -0.318 41.708 42.059 -0.055 0.000 0.933 392 L HN 0.253 nan 8.230 nan 0.000 0.449 393 R N -0.471 119.874 120.500 -0.259 0.000 2.195 393 R HA 0.039 4.381 4.340 0.003 0.000 0.197 393 R C 1.772 177.767 176.300 -0.507 0.000 0.990 393 R CA 0.532 56.324 56.100 -0.513 0.000 1.048 393 R CB 0.167 29.872 30.300 -0.991 0.000 0.997 393 R HN 0.164 nan 8.270 nan 0.000 0.502 394 F N 0.589 120.522 119.950 -0.029 0.000 2.731 394 F HA 0.194 4.723 4.527 0.003 0.000 0.298 394 F C 0.591 176.389 175.800 -0.003 0.000 1.106 394 F CA -0.372 57.615 58.000 -0.022 0.000 1.329 394 F CB 0.452 39.407 39.000 -0.075 0.000 1.100 394 F HN -0.036 nan 8.300 nan 0.000 0.592 395 D N 1.629 122.109 120.400 0.134 0.000 2.312 395 D HA 0.075 4.717 4.640 0.003 0.000 0.252 395 D C -1.988 174.314 176.300 0.005 0.000 1.150 395 D CA -1.715 52.311 54.000 0.045 0.000 0.870 395 D CB 1.908 42.701 40.800 -0.012 0.000 1.153 395 D HN -0.024 nan 8.370 nan 0.000 0.457 396 P HA -0.139 nan 4.420 nan 0.000 0.215 396 P C 0.969 178.240 177.300 -0.048 0.000 1.157 396 P CA 1.518 64.604 63.100 -0.023 0.000 0.868 396 P CB 0.200 31.886 31.700 -0.023 0.000 0.788 397 A N -1.643 121.110 122.820 -0.111 0.000 1.898 397 A HA -0.192 4.130 4.320 0.003 0.000 0.216 397 A C 2.188 179.748 177.584 -0.039 0.000 1.181 397 A CA 1.307 53.275 52.037 -0.114 0.000 0.620 397 A CB -1.862 17.027 19.000 -0.185 0.000 0.819 397 A HN 0.199 nan 8.150 nan 0.000 0.442 398 Y N -0.596 119.669 120.300 -0.058 0.000 2.224 398 Y HA -0.194 4.357 4.550 0.003 0.000 0.289 398 Y C 2.680 178.531 175.900 -0.082 0.000 1.146 398 Y CA 0.856 58.909 58.100 -0.078 0.000 1.182 398 Y CB 0.005 38.426 38.460 -0.066 0.000 0.983 398 Y HN 0.357 nan 8.280 nan 0.000 0.524 399 E N 1.482 121.744 120.200 0.104 0.000 2.085 399 E HA -0.229 4.123 4.350 0.003 0.000 0.194 399 E C 1.686 178.293 176.600 0.012 0.000 0.994 399 E CA 1.420 57.866 56.400 0.077 0.000 0.801 399 E CB -0.039 29.687 29.700 0.043 0.000 0.743 399 E HN 0.504 nan 8.360 nan 0.000 0.453 400 K N -0.088 120.289 120.400 -0.039 0.000 2.097 400 K HA -0.077 4.245 4.320 0.003 0.000 0.205 400 K C 2.369 178.865 176.600 -0.173 0.000 1.050 400 K CA 1.236 57.466 56.287 -0.095 0.000 0.938 400 K CB -0.083 32.372 32.500 -0.076 0.000 0.718 400 K HN 0.185 nan 8.250 nan 0.000 0.442 401 I N 0.770 121.219 120.570 -0.202 0.000 2.233 401 I HA -0.244 3.928 4.170 0.003 0.000 0.243 401 I C 2.209 177.939 176.117 -0.645 0.000 1.093 401 I CA 1.025 62.057 61.300 -0.447 0.000 1.380 401 I CB -0.238 37.533 38.000 -0.382 0.000 1.067 401 I HN 0.019 nan 8.210 nan 0.000 0.413 402 S N 0.583 116.058 115.700 -0.375 0.000 2.370 402 S HA -0.162 4.310 4.470 0.003 0.000 0.226 402 S C 2.112 176.445 174.600 -0.444 0.000 1.033 402 S CA 1.144 59.067 58.200 -0.461 0.000 1.011 402 S CB -0.290 62.901 63.200 -0.015 0.000 0.852 402 S HN 0.318 nan 8.310 nan 0.000 0.457 403 R N 0.990 121.336 120.500 -0.256 0.000 2.073 403 R HA 0.001 4.343 4.340 0.003 0.000 0.234 403 R C 2.518 178.663 176.300 -0.258 0.000 1.134 403 R CA 1.225 57.099 56.100 -0.376 0.000 0.952 403 R CB -0.563 29.522 30.300 -0.358 0.000 0.850 403 R HN 0.390 nan 8.270 nan 0.000 0.433 404 R N 0.038 120.392 120.500 -0.243 0.000 2.083 404 R HA -0.082 4.260 4.340 0.003 0.000 0.237 404 R C 2.306 178.615 176.300 0.014 0.000 1.137 404 R CA 1.505 57.521 56.100 -0.139 0.000 0.951 404 R CB -0.328 29.872 30.300 -0.166 0.000 0.851 404 R HN 0.201 nan 8.270 nan 0.000 0.434 405 F N -1.012 118.815 119.950 -0.205 0.000 2.216 405 F HA -0.221 4.308 4.527 0.003 0.000 0.300 405 F C 2.500 178.202 175.800 -0.163 0.000 1.085 405 F CA 0.733 58.629 58.000 -0.174 0.000 1.326 405 F CB -0.224 38.532 39.000 -0.407 0.000 1.027 405 F HN 0.312 nan 8.300 nan 0.000 0.497 406 H N 0.755 119.673 119.070 -0.254 0.000 2.357 406 H HA -0.126 4.432 4.556 0.003 0.000 0.301 406 H C 1.802 177.103 175.328 -0.044 0.000 1.082 406 H CA 1.977 57.959 56.048 -0.108 0.000 1.342 406 H CB -0.204 29.465 29.762 -0.155 0.000 1.389 406 H HN 0.244 nan 8.280 nan 0.000 0.511 407 E N -0.564 119.520 120.200 -0.193 0.000 2.216 407 E HA 0.006 4.358 4.350 0.003 0.000 0.192 407 E C -0.052 176.488 176.600 -0.100 0.000 0.988 407 E CA 0.457 56.723 56.400 -0.223 0.000 0.834 407 E CB 0.315 29.911 29.700 -0.174 0.000 0.772 407 E HN 0.440 nan 8.360 nan 0.000 0.479 408 N N 0.835 119.535 118.700 0.000 0.000 2.791 408 N HA 0.111 4.853 4.740 0.003 0.000 0.265 408 N C -2.354 173.229 175.510 0.122 0.000 1.580 408 N CA -0.980 52.104 53.050 0.057 0.000 0.809 408 N CB 1.359 39.906 38.487 0.099 0.000 1.178 408 N HN -0.030 nan 8.380 nan 0.000 0.499 409 P HA -0.156 nan 4.420 nan 0.000 0.217 409 P C 0.904 178.313 177.300 0.180 0.000 1.148 409 P CA 1.472 64.572 63.100 -0.000 0.000 0.828 409 P CB 0.533 31.863 31.700 -0.617 0.000 0.783 410 E N -0.189 120.087 120.200 0.126 0.000 2.110 410 E HA -0.187 4.165 4.350 0.003 0.000 0.193 410 E C 2.184 178.885 176.600 0.168 0.000 0.988 410 E CA 1.164 57.655 56.400 0.152 0.000 0.804 410 E CB -0.932 28.828 29.700 0.100 0.000 0.745 410 E HN 0.423 nan 8.360 nan 0.000 0.458 411 Q N -0.698 119.216 119.800 0.190 0.000 2.119 411 Q HA -0.118 4.224 4.340 0.003 0.000 0.201 411 Q C 1.913 177.992 176.000 0.132 0.000 0.972 411 Q CA 1.023 56.954 55.803 0.213 0.000 0.847 411 Q CB -0.223 28.696 28.738 0.302 0.000 0.903 411 Q HN 0.272 nan 8.270 nan 0.000 0.433 412 F N 1.497 121.355 119.950 -0.153 0.000 2.069 412 F HA -0.199 4.330 4.527 0.003 0.000 0.298 412 F C 2.155 177.975 175.800 0.032 0.000 1.113 412 F CA 1.460 59.146 58.000 -0.524 0.000 1.214 412 F CB -0.867 38.050 39.000 -0.139 0.000 0.978 412 F HN 0.004 nan 8.300 nan 0.000 0.474 413 A N -0.275 122.616 122.820 0.119 0.000 1.917 413 A HA -0.291 4.031 4.320 0.003 0.000 0.219 413 A C 1.971 179.607 177.584 0.087 0.000 1.182 413 A CA 2.277 54.413 52.037 0.165 0.000 0.633 413 A CB -1.374 17.774 19.000 0.247 0.000 0.819 413 A HN 0.556 nan 8.150 nan 0.000 0.448 414 D N -0.888 119.556 120.400 0.073 0.000 2.123 414 D HA 0.077 4.719 4.640 0.003 0.000 0.200 414 D C 2.056 178.406 176.300 0.083 0.000 0.976 414 D CA 1.394 55.434 54.000 0.067 0.000 0.831 414 D CB -0.198 40.653 40.800 0.085 0.000 0.974 414 D HN 0.325 nan 8.370 nan 0.000 0.469 415 A N -0.203 122.678 122.820 0.101 0.000 1.902 415 A HA -0.121 4.201 4.320 0.003 0.000 0.217 415 A C 2.232 179.940 177.584 0.207 0.000 1.181 415 A CA 1.159 53.288 52.037 0.154 0.000 0.623 415 A CB -1.264 17.865 19.000 0.216 0.000 0.818 415 A HN 0.508 nan 8.150 nan 0.000 0.443 416 F N 0.663 120.621 119.950 0.014 0.000 2.102 416 F HA -0.072 4.457 4.527 0.003 0.000 0.298 416 F C 2.579 178.482 175.800 0.172 0.000 1.105 416 F CA 1.177 59.196 58.000 0.032 0.000 1.239 416 F CB -0.138 38.738 39.000 -0.208 0.000 0.991 416 F HN 0.290 nan 8.300 nan 0.000 0.474 417 A N 1.002 123.865 122.820 0.073 0.000 1.917 417 A HA -0.244 4.078 4.320 0.003 0.000 0.219 417 A C 2.192 179.813 177.584 0.062 0.000 1.182 417 A CA 1.995 54.090 52.037 0.097 0.000 0.633 417 A CB -0.809 18.238 19.000 0.078 0.000 0.819 417 A HN 0.494 nan 8.150 nan 0.000 0.448 418 R N -0.730 119.723 120.500 -0.078 0.000 2.066 418 R HA -0.024 4.318 4.340 0.003 0.000 0.232 418 R C 2.529 178.832 176.300 0.004 0.000 1.131 418 R CA 1.199 57.142 56.100 -0.262 0.000 0.955 418 R CB -0.487 29.648 30.300 -0.274 0.000 0.851 418 R HN 0.505 nan 8.270 nan 0.000 0.432 419 A N 1.105 123.975 122.820 0.084 0.000 1.933 419 A HA -0.194 4.128 4.320 0.003 0.000 0.218 419 A C 1.901 179.545 177.584 0.101 0.000 1.175 419 A CA 0.992 53.092 52.037 0.105 0.000 0.628 419 A CB -0.930 18.206 19.000 0.226 0.000 0.814 419 A HN 0.629 nan 8.150 nan 0.000 0.444 420 W N -0.414 120.853 121.300 -0.054 0.000 2.358 420 W HA -0.228 4.434 4.660 0.004 0.000 0.303 420 W C 1.839 178.387 176.519 0.049 0.000 1.208 420 W CA 1.781 59.082 57.345 -0.074 0.000 1.274 420 W CB -0.437 28.829 29.460 -0.325 0.000 1.138 420 W HN 0.406 nan 8.180 nan 0.000 0.515 421 F N 2.091 122.067 119.950 0.043 0.000 2.134 421 F HA -0.184 4.345 4.527 0.003 0.000 0.299 421 F C 2.639 178.415 175.800 -0.041 0.000 1.097 421 F CA 2.720 60.764 58.000 0.073 0.000 1.264 421 F CB -0.794 38.329 39.000 0.206 0.000 1.001 421 F HN -0.215 nan 8.300 nan 0.000 0.479 422 K N 0.243 120.461 120.400 -0.302 0.000 2.026 422 K HA -0.212 4.110 4.320 0.003 0.000 0.208 422 K C 2.200 178.322 176.600 -0.797 0.000 1.048 422 K CA 1.625 57.328 56.287 -0.974 0.000 0.929 422 K CB -0.653 31.198 32.500 -1.080 0.000 0.713 422 K HN 0.339 nan 8.250 nan 0.000 0.439 423 L N 1.565 122.479 121.223 -0.516 0.000 2.034 423 L HA -0.226 4.116 4.340 0.003 0.000 0.217 423 L C 2.121 178.652 176.870 -0.564 0.000 1.077 423 L CA 2.788 57.348 54.840 -0.466 0.000 0.769 423 L CB -0.985 40.847 42.059 -0.379 0.000 0.890 423 L HN 0.514 nan 8.230 nan 0.000 0.435 424 T N -5.580 108.592 114.554 -0.636 0.000 3.107 424 T HA 0.057 4.409 4.350 0.003 0.000 0.249 424 T C 0.966 175.183 174.700 -0.806 0.000 1.096 424 T CA 0.850 62.547 62.100 -0.671 0.000 1.012 424 T CB -0.423 68.010 68.868 -0.725 0.000 0.977 424 T HN 0.558 nan 8.240 nan 0.000 0.527 425 H N 0.103 118.761 119.070 -0.687 0.000 3.233 425 H HA 0.344 4.902 4.556 0.003 0.000 0.263 425 H C 2.076 177.175 175.328 -0.382 0.000 1.168 425 H CA -0.385 55.307 56.048 -0.595 0.000 1.159 425 H CB 0.330 29.603 29.762 -0.815 0.000 1.593 425 H HN 0.315 nan 8.280 nan 0.000 0.580 426 R N 0.952 121.146 120.500 -0.511 0.000 2.193 426 R HA -0.086 4.256 4.340 0.003 0.000 0.229 426 R C 0.129 176.199 176.300 -0.383 0.000 1.110 426 R CA 1.796 57.596 56.100 -0.501 0.000 0.988 426 R CB -0.123 29.711 30.300 -0.777 0.000 0.871 426 R HN 0.287 nan 8.270 nan 0.000 0.458 427 D N -0.178 119.965 120.400 -0.428 0.000 2.395 427 D HA 0.026 4.668 4.640 0.003 0.000 0.213 427 D C 1.436 177.646 176.300 -0.151 0.000 1.110 427 D CA -0.096 53.744 54.000 -0.267 0.000 0.835 427 D CB 0.064 40.706 40.800 -0.262 0.000 0.965 427 D HN 0.232 nan 8.370 nan 0.000 0.505 428 M N 0.364 119.882 119.600 -0.136 0.000 2.558 428 M HA 0.199 4.681 4.480 0.003 0.000 0.255 428 M C 1.005 177.275 176.300 -0.050 0.000 1.113 428 M CA 0.886 56.115 55.300 -0.119 0.000 1.097 428 M CB 0.192 32.680 32.600 -0.188 0.000 1.426 428 M HN 0.303 nan 8.290 nan 0.000 0.488 429 G N 0.808 109.617 108.800 0.016 0.000 2.568 429 G HA2 -0.174 3.788 3.960 0.003 0.000 0.222 429 G HA3 -0.174 3.788 3.960 0.003 0.000 0.222 429 G C -2.891 172.016 174.900 0.011 0.000 1.321 429 G CA -1.204 43.880 45.100 -0.027 0.000 0.893 429 G HN 0.154 nan 8.290 nan 0.000 0.569 430 P HA 0.299 nan 4.420 nan 0.000 0.269 430 P C 0.977 178.154 177.300 -0.206 0.000 1.215 430 P CA -0.126 62.925 63.100 -0.081 0.000 0.780 430 P CB 0.335 32.063 31.700 0.047 0.000 0.898 431 R N 2.166 122.422 120.500 -0.406 0.000 2.211 431 R HA -0.176 4.166 4.340 0.003 0.000 0.240 431 R C 1.934 178.044 176.300 -0.317 0.000 1.144 431 R CA 1.598 57.260 56.100 -0.730 0.000 0.992 431 R CB -0.805 29.137 30.300 -0.596 0.000 0.869 431 R HN 0.529 nan 8.270 nan 0.000 0.462 432 A N 1.207 123.949 122.820 -0.131 0.000 2.019 432 A HA -0.162 4.160 4.320 0.003 0.000 0.219 432 A C 1.867 179.465 177.584 0.023 0.000 1.164 432 A CA 1.094 53.120 52.037 -0.019 0.000 0.644 432 A CB -0.270 18.762 19.000 0.053 0.000 0.805 432 A HN 0.254 nan 8.150 nan 0.000 0.449 433 R N -1.833 118.666 120.500 -0.001 0.000 2.276 433 R HA 0.016 4.358 4.340 0.003 0.000 0.203 433 R C -0.453 175.920 176.300 0.122 0.000 1.017 433 R CA 0.056 56.157 56.100 0.002 0.000 1.010 433 R CB -0.140 30.056 30.300 -0.173 0.000 0.900 433 R HN 0.492 nan 8.270 nan 0.000 0.469 434 Y N 1.425 121.671 120.300 -0.089 0.000 2.402 434 Y HA 0.192 4.745 4.550 0.004 0.000 0.333 434 Y C 0.557 176.420 175.900 -0.061 0.000 1.076 434 Y CA -0.523 57.531 58.100 -0.077 0.000 1.299 434 Y CB 0.320 38.763 38.460 -0.028 0.000 1.197 434 Y HN -0.124 nan 8.280 nan 0.000 0.517 435 L N 2.416 123.648 121.223 0.015 0.000 2.333 435 L HA 0.872 5.214 4.340 0.003 0.000 0.269 435 L C 0.548 177.544 176.870 0.209 0.000 1.010 435 L CA -0.857 54.029 54.840 0.077 0.000 0.818 435 L CB 1.908 43.977 42.059 0.017 0.000 1.306 435 L HN 0.809 nan 8.230 nan 0.000 0.430 436 G N 1.951 110.913 108.800 0.270 0.000 2.631 436 G HA2 -0.121 3.841 3.960 0.003 0.000 0.504 436 G HA3 -0.121 3.841 3.960 0.003 0.000 0.504 436 G C -2.379 172.619 174.900 0.163 0.000 1.306 436 G CA -0.309 44.964 45.100 0.287 0.000 0.897 436 G HN 0.545 nan 8.290 nan 0.000 0.520 437 P HA 0.182 nan 4.420 nan 0.000 0.249 437 P C 0.548 177.890 177.300 0.069 0.000 1.229 437 P CA 0.923 64.066 63.100 0.071 0.000 0.788 437 P CB 0.306 32.028 31.700 0.037 0.000 1.072 438 E N -0.304 119.971 120.200 0.124 0.000 2.624 438 E HA 0.153 4.505 4.350 0.003 0.000 0.210 438 E C -0.242 176.396 176.600 0.063 0.000 0.997 438 E CA -0.262 56.197 56.400 0.099 0.000 0.999 438 E CB 1.028 30.847 29.700 0.199 0.000 1.040 438 E HN 0.008 nan 8.360 nan 0.000 0.469 439 V N 4.077 124.027 119.914 0.061 0.000 2.479 439 V HA 0.072 4.194 4.120 0.003 0.000 0.281 439 V C -1.961 174.086 176.094 -0.077 0.000 1.031 439 V CA -1.263 61.074 62.300 0.061 0.000 1.038 439 V CB 0.018 31.924 31.823 0.140 0.000 0.981 439 V HN 0.096 nan 8.190 nan 0.000 0.478 440 P HA 0.195 nan 4.420 nan 0.000 0.271 440 P C 0.477 177.646 177.300 -0.219 0.000 1.216 440 P CA -0.164 62.705 63.100 -0.385 0.000 0.771 440 P CB 0.997 32.267 31.700 -0.717 0.000 0.864 441 A N 2.638 125.332 122.820 -0.211 0.000 1.968 441 A HA -0.125 4.197 4.320 0.003 0.000 0.217 441 A C 1.068 178.580 177.584 -0.119 0.000 1.169 441 A CA 0.670 52.624 52.037 -0.138 0.000 0.638 441 A CB -0.813 18.115 19.000 -0.120 0.000 0.812 441 A HN 0.662 nan 8.150 nan 0.000 0.446 442 E N 0.608 120.731 120.200 -0.128 0.000 2.417 442 E HA 0.253 4.605 4.350 0.003 0.000 0.261 442 E C -1.020 175.560 176.600 -0.034 0.000 1.000 442 E CA -0.307 56.070 56.400 -0.040 0.000 0.919 442 E CB 0.491 30.234 29.700 0.072 0.000 0.955 442 E HN 0.141 nan 8.360 nan 0.000 0.455 443 V N 6.727 126.604 119.914 -0.062 0.000 2.461 443 V HA 0.206 4.328 4.120 0.003 0.000 0.275 443 V C 0.231 176.243 176.094 -0.137 0.000 1.047 443 V CA -0.234 61.993 62.300 -0.121 0.000 0.955 443 V CB 0.710 32.462 31.823 -0.118 0.000 0.988 443 V HN 0.558 nan 8.190 nan 0.000 0.471 444 L N 4.604 125.657 121.223 -0.284 0.000 2.346 444 L HA 0.406 4.748 4.340 0.003 0.000 0.274 444 L C 0.867 177.459 176.870 -0.463 0.000 1.007 444 L CA -0.687 53.926 54.840 -0.379 0.000 0.818 444 L CB 1.682 43.376 42.059 -0.608 0.000 1.284 444 L HN 0.473 nan 8.230 nan 0.000 0.424 445 L N 3.006 124.091 121.223 -0.231 0.000 2.131 445 L HA -0.148 4.193 4.340 0.003 0.000 0.210 445 L C 1.981 178.814 176.870 -0.063 0.000 1.092 445 L CA 1.802 56.587 54.840 -0.091 0.000 0.759 445 L CB -0.491 41.589 42.059 0.035 0.000 0.903 445 L HN 0.764 nan 8.230 nan 0.000 0.435 446 W N -1.276 120.054 121.300 0.049 0.000 2.825 446 W HA -0.028 4.633 4.660 0.003 0.000 0.243 446 W C 1.143 177.683 176.519 0.035 0.000 1.293 446 W CA 0.028 57.399 57.345 0.044 0.000 1.403 446 W CB -1.078 28.406 29.460 0.040 0.000 1.134 446 W HN 0.337 nan 8.180 nan 0.000 0.666 447 Q N 0.998 120.549 119.800 -0.414 0.000 2.365 447 Q HA -0.037 4.305 4.340 0.003 0.000 0.203 447 Q C -0.324 175.603 176.000 -0.121 0.000 0.929 447 Q CA 0.272 55.898 55.803 -0.295 0.000 0.948 447 Q CB -0.293 28.107 28.738 -0.564 0.000 1.043 447 Q HN 0.046 nan 8.270 nan 0.000 0.505 448 D N 1.419 121.785 120.400 -0.056 0.000 2.735 448 D HA -0.130 4.512 4.640 0.003 0.000 0.235 448 D C -2.442 173.830 176.300 -0.047 0.000 1.175 448 D CA 0.512 54.504 54.000 -0.015 0.000 0.683 448 D CB -0.745 40.076 40.800 0.036 0.000 1.008 448 D HN 0.297 nan 8.370 nan 0.000 0.416 449 P HA 0.221 nan 4.420 nan 0.000 0.271 449 P C 0.374 177.639 177.300 -0.058 0.000 1.218 449 P CA -0.155 62.887 63.100 -0.096 0.000 0.780 449 P CB 0.889 32.516 31.700 -0.121 0.000 0.901 450 I N 3.612 124.149 120.570 -0.055 0.000 2.433 450 I HA 0.301 4.473 4.170 0.003 0.000 0.292 450 I C -2.029 174.064 176.117 -0.040 0.000 1.001 450 I CA -2.568 58.711 61.300 -0.035 0.000 1.119 450 I CB 1.539 39.527 38.000 -0.021 0.000 1.289 450 I HN 0.177 nan 8.210 nan 0.000 0.438 451 P HA 0.112 nan 4.420 nan 0.000 0.266 451 P C -0.537 176.745 177.300 -0.030 0.000 1.195 451 P CA -0.295 62.790 63.100 -0.025 0.000 0.768 451 P CB 0.496 32.192 31.700 -0.007 0.000 0.838 452 A N 2.940 125.738 122.820 -0.037 0.000 2.477 452 A HA 0.188 4.510 4.320 0.003 0.000 0.246 452 A C 0.154 177.706 177.584 -0.053 0.000 1.078 452 A CA -0.356 51.652 52.037 -0.048 0.000 0.770 452 A CB -0.125 18.845 19.000 -0.049 0.000 1.011 452 A HN 0.416 nan 8.150 nan 0.000 0.494 453 V N 3.287 123.144 119.914 -0.095 0.000 2.521 453 V HA 0.104 4.226 4.120 0.003 0.000 0.286 453 V C 0.498 176.483 176.094 -0.181 0.000 1.034 453 V CA 0.811 62.997 62.300 -0.190 0.000 1.045 453 V CB 0.760 32.420 31.823 -0.271 0.000 0.974 453 V HN 1.007 nan 8.190 nan 0.000 0.480 454 D N 2.769 123.077 120.400 -0.152 0.000 2.571 454 D HA 0.155 4.797 4.640 0.003 0.000 0.239 454 D C -0.001 176.304 176.300 0.008 0.000 1.267 454 D CA -0.272 53.697 54.000 -0.050 0.000 0.823 454 D CB 0.023 40.835 40.800 0.020 0.000 1.056 454 D HN 0.802 nan 8.370 nan 0.000 0.494 455 H N -3.092 115.981 119.070 0.005 0.000 3.016 455 H HA 0.714 5.272 4.556 0.003 0.000 0.362 455 H C -3.097 172.241 175.328 0.017 0.000 1.233 455 H CA -1.967 54.088 56.048 0.012 0.000 1.124 455 H CB -0.036 29.737 29.762 0.019 0.000 1.850 455 H HN -0.330 nan 8.280 nan 0.000 0.549 456 P HA 0.077 nan 4.420 nan 0.000 0.265 456 P C -0.342 177.103 177.300 0.243 0.000 1.193 456 P CA -0.082 63.099 63.100 0.135 0.000 0.765 456 P CB 0.611 32.378 31.700 0.112 0.000 0.823 457 L N 3.177 124.474 121.223 0.123 0.000 2.421 457 L HA 0.383 4.725 4.340 0.003 0.000 0.263 457 L C 1.071 178.036 176.870 0.158 0.000 1.122 457 L CA -1.140 53.786 54.840 0.143 0.000 0.804 457 L CB 0.360 42.444 42.059 0.042 0.000 1.150 457 L HN 0.371 nan 8.230 nan 0.000 0.457 458 I N -1.199 119.482 120.570 0.185 0.000 2.754 458 I HA 0.150 4.322 4.170 0.003 0.000 0.285 458 I C -0.150 176.051 176.117 0.139 0.000 1.166 458 I CA -0.523 60.888 61.300 0.185 0.000 1.417 458 I CB 0.373 38.462 38.000 0.149 0.000 1.382 458 I HN 0.573 nan 8.210 nan 0.000 0.588 459 D N 3.971 124.450 120.400 0.131 0.000 2.588 459 D HA 0.529 5.171 4.640 0.003 0.000 0.268 459 D C 0.944 177.305 176.300 0.102 0.000 1.176 459 D CA -0.331 53.729 54.000 0.099 0.000 1.080 459 D CB 0.938 41.786 40.800 0.080 0.000 1.186 459 D HN 0.604 nan 8.370 nan 0.000 0.619 460 A N -0.285 122.584 122.820 0.082 0.000 1.940 460 A HA 0.036 4.358 4.320 0.003 0.000 0.219 460 A C 2.133 179.756 177.584 0.066 0.000 1.176 460 A CA 2.472 54.555 52.037 0.076 0.000 0.631 460 A CB -1.423 17.612 19.000 0.059 0.000 0.814 460 A HN 0.662 nan 8.150 nan 0.000 0.446 461 A N 0.138 122.998 122.820 0.068 0.000 1.873 461 A HA -0.158 4.164 4.320 0.003 0.000 0.215 461 A C 1.770 179.404 177.584 0.083 0.000 1.186 461 A CA 1.739 53.817 52.037 0.067 0.000 0.616 461 A CB -0.534 18.507 19.000 0.067 0.000 0.823 461 A HN 0.478 nan 8.150 nan 0.000 0.442 462 D N 0.354 120.824 120.400 0.117 0.000 2.117 462 D HA -0.079 4.563 4.640 0.003 0.000 0.197 462 D C 2.227 178.520 176.300 -0.013 0.000 0.987 462 D CA 1.519 55.605 54.000 0.145 0.000 0.829 462 D CB -0.528 40.416 40.800 0.240 0.000 0.961 462 D HN 0.426 nan 8.370 nan 0.000 0.460 463 A N 1.375 124.195 122.820 -0.000 0.000 1.883 463 A HA -0.096 4.226 4.320 0.003 0.000 0.217 463 A C 2.375 179.915 177.584 -0.073 0.000 1.186 463 A CA 2.441 54.441 52.037 -0.063 0.000 0.624 463 A CB -0.795 18.224 19.000 0.031 0.000 0.822 463 A HN 0.248 nan 8.150 nan 0.000 0.444 464 A N -0.434 122.377 122.820 -0.015 0.000 1.908 464 A HA -0.214 4.108 4.320 0.003 0.000 0.218 464 A C 2.077 179.650 177.584 -0.018 0.000 1.181 464 A CA 1.906 53.936 52.037 -0.012 0.000 0.627 464 A CB -0.570 18.438 19.000 0.013 0.000 0.818 464 A HN 0.703 nan 8.150 nan 0.000 0.445 465 E N -0.172 120.029 120.200 0.002 0.000 2.051 465 E HA -0.164 4.188 4.350 0.003 0.000 0.192 465 E C 1.975 178.560 176.600 -0.025 0.000 0.991 465 E CA 1.146 57.559 56.400 0.022 0.000 0.799 465 E CB -0.225 29.536 29.700 0.102 0.000 0.748 465 E HN 0.609 nan 8.360 nan 0.000 0.449 466 L N 0.712 121.868 121.223 -0.112 0.000 2.046 466 L HA -0.202 4.140 4.340 0.003 0.000 0.208 466 L C 2.669 179.457 176.870 -0.137 0.000 1.077 466 L CA 1.417 56.145 54.840 -0.187 0.000 0.747 466 L CB -0.294 41.549 42.059 -0.361 0.000 0.896 466 L HN 0.072 nan 8.230 nan 0.000 0.432 467 K N -0.165 120.157 120.400 -0.129 0.000 2.097 467 K HA -0.137 4.185 4.320 0.003 0.000 0.206 467 K C 2.235 178.799 176.600 -0.061 0.000 1.049 467 K CA 1.312 57.538 56.287 -0.102 0.000 0.933 467 K CB -0.254 32.190 32.500 -0.095 0.000 0.717 467 K HN 0.297 nan 8.250 nan 0.000 0.442 468 A N 1.901 124.696 122.820 -0.042 0.000 1.898 468 A HA -0.185 4.137 4.320 0.003 0.000 0.216 468 A C 1.909 179.483 177.584 -0.018 0.000 1.181 468 A CA 1.461 53.485 52.037 -0.021 0.000 0.620 468 A CB -0.258 18.738 19.000 -0.007 0.000 0.819 468 A HN 0.179 nan 8.150 nan 0.000 0.442 469 K N -0.436 119.953 120.400 -0.019 0.000 2.057 469 K HA -0.073 4.249 4.320 0.003 0.000 0.207 469 K C 1.894 178.481 176.600 -0.021 0.000 1.049 469 K CA 1.374 57.654 56.287 -0.012 0.000 0.931 469 K CB -0.394 32.106 32.500 -0.001 0.000 0.714 469 K HN 0.292 nan 8.250 nan 0.000 0.440 470 V N 1.984 121.874 119.914 -0.040 0.000 2.255 470 V HA -0.267 3.855 4.120 0.003 0.000 0.247 470 V C 2.216 178.295 176.094 -0.026 0.000 1.051 470 V CA 1.749 64.025 62.300 -0.039 0.000 1.018 470 V CB -0.424 31.364 31.823 -0.058 0.000 0.641 470 V HN 0.282 nan 8.190 nan 0.000 0.445 471 L N 0.010 121.216 121.223 -0.027 0.000 2.141 471 L HA -0.087 4.255 4.340 0.003 0.000 0.209 471 L C 2.572 179.434 176.870 -0.013 0.000 1.094 471 L CA 1.360 56.188 54.840 -0.020 0.000 0.763 471 L CB -0.718 41.328 42.059 -0.021 0.000 0.908 471 L HN 0.351 nan 8.230 nan 0.000 0.437 472 A N -0.112 122.702 122.820 -0.010 0.000 2.119 472 A HA -0.134 4.188 4.320 0.003 0.000 0.217 472 A C 2.468 180.050 177.584 -0.003 0.000 1.153 472 A CA 1.333 53.367 52.037 -0.005 0.000 0.692 472 A CB -0.472 18.527 19.000 -0.001 0.000 0.799 472 A HN 0.499 nan 8.150 nan 0.000 0.458 473 S N -1.611 114.086 115.700 -0.005 0.000 2.447 473 S HA 0.259 4.731 4.470 0.003 0.000 0.233 473 S C 1.626 176.225 174.600 -0.002 0.000 1.006 473 S CA 1.385 59.583 58.200 -0.003 0.000 0.957 473 S CB -0.430 62.767 63.200 -0.005 0.000 0.773 473 S HN 1.857 nan 8.310 nan 0.000 0.507 474 G N 0.552 109.350 108.800 -0.003 0.000 2.195 474 G HA2 -0.216 3.746 3.960 0.003 0.000 0.246 474 G HA3 -0.216 3.746 3.960 0.003 0.000 0.246 474 G C -0.004 174.895 174.900 -0.002 0.000 0.984 474 G CA 0.066 45.165 45.100 -0.002 0.000 0.633 474 G HN 0.544 nan 8.290 nan 0.000 0.525 475 L N 2.422 123.643 121.223 -0.003 0.000 2.540 475 L HA 0.384 4.726 4.340 0.003 0.000 0.276 475 L C 1.673 178.540 176.870 -0.004 0.000 1.212 475 L CA 0.690 55.530 54.840 -0.001 0.000 0.893 475 L CB 0.546 42.604 42.059 -0.001 0.000 1.138 475 L HN 0.472 nan 8.230 nan 0.000 0.491 476 T N -0.495 114.057 114.554 -0.002 0.000 2.847 476 T HA 0.238 4.590 4.350 0.003 0.000 0.279 476 T C 1.304 175.996 174.700 -0.013 0.000 0.984 476 T CA -0.974 61.122 62.100 -0.007 0.000 0.988 476 T CB 1.507 70.372 68.868 -0.004 0.000 1.040 476 T HN 0.238 nan 8.240 nan 0.000 0.528 477 V N 1.410 121.308 119.914 -0.025 0.000 2.282 477 V HA -0.193 3.929 4.120 0.003 0.000 0.249 477 V C 3.055 179.128 176.094 -0.035 0.000 1.057 477 V CA 2.524 64.798 62.300 -0.043 0.000 1.032 477 V CB -1.201 30.584 31.823 -0.063 0.000 0.645 477 V HN 1.112 nan 8.190 nan 0.000 0.447 478 S N -0.940 114.746 115.700 -0.024 0.000 2.356 478 S HA -0.301 4.171 4.470 0.003 0.000 0.223 478 S C 2.039 176.651 174.600 0.020 0.000 1.032 478 S CA 2.157 60.352 58.200 -0.009 0.000 1.005 478 S CB -0.267 62.927 63.200 -0.009 0.000 0.867 478 S HN 0.705 nan 8.310 nan 0.000 0.449 479 Q N 0.286 120.099 119.800 0.021 0.000 2.061 479 Q HA -0.071 4.271 4.340 0.003 0.000 0.204 479 Q C 2.376 178.409 176.000 0.056 0.000 0.984 479 Q CA 1.887 57.711 55.803 0.036 0.000 0.846 479 Q CB -0.362 28.391 28.738 0.024 0.000 0.902 479 Q HN 0.544 nan 8.270 nan 0.000 0.421 480 L N -0.303 120.945 121.223 0.043 0.000 2.017 480 L HA -0.188 4.154 4.340 0.003 0.000 0.208 480 L C 2.375 179.321 176.870 0.125 0.000 1.073 480 L CA 0.851 55.727 54.840 0.060 0.000 0.745 480 L CB -0.538 41.534 42.059 0.022 0.000 0.894 480 L HN 0.104 nan 8.230 nan 0.000 0.432 481 V N -0.885 119.086 119.914 0.094 0.000 2.307 481 V HA -0.247 3.875 4.120 0.003 0.000 0.245 481 V C 2.566 178.854 176.094 0.324 0.000 1.045 481 V CA 2.028 64.427 62.300 0.165 0.000 1.024 481 V CB -0.479 31.323 31.823 -0.035 0.000 0.651 481 V HN 0.374 nan 8.190 nan 0.000 0.449 482 S N -0.011 115.816 115.700 0.211 0.000 2.368 482 S HA -0.209 4.263 4.470 0.003 0.000 0.225 482 S C 2.062 176.821 174.600 0.265 0.000 1.030 482 S CA 1.985 60.332 58.200 0.245 0.000 0.999 482 S CB -0.487 62.799 63.200 0.145 0.000 0.844 482 S HN 0.703 nan 8.310 nan 0.000 0.459 483 T N 2.368 117.037 114.554 0.191 0.000 2.777 483 T HA 0.007 4.359 4.350 0.003 0.000 0.266 483 T C 2.184 176.974 174.700 0.149 0.000 1.040 483 T CA 1.207 63.390 62.100 0.140 0.000 1.141 483 T CB -0.492 68.430 68.868 0.090 0.000 0.868 483 T HN 0.473 nan 8.240 nan 0.000 0.444 484 A N 1.193 124.146 122.820 0.222 0.000 1.930 484 A HA -0.072 4.250 4.320 0.003 0.000 0.217 484 A C 2.145 179.794 177.584 0.109 0.000 1.175 484 A CA 1.084 53.232 52.037 0.185 0.000 0.627 484 A CB -1.016 18.190 19.000 0.344 0.000 0.815 484 A HN 0.742 nan 8.150 nan 0.000 0.443 485 W N 0.872 122.248 121.300 0.126 0.000 2.355 485 W HA -0.191 4.470 4.660 0.003 0.000 0.309 485 W C 2.264 178.798 176.519 0.024 0.000 1.206 485 W CA 2.023 59.392 57.345 0.040 0.000 1.284 485 W CB -0.386 29.186 29.460 0.187 0.000 1.145 485 W HN 0.419 nan 8.180 nan 0.000 0.502 486 A N 1.127 123.993 122.820 0.075 0.000 1.917 486 A HA -0.157 4.165 4.320 0.003 0.000 0.219 486 A C 2.167 179.687 177.584 -0.108 0.000 1.182 486 A CA 2.966 54.999 52.037 -0.006 0.000 0.633 486 A CB -1.317 17.747 19.000 0.106 0.000 0.819 486 A HN 0.365 nan 8.150 nan 0.000 0.448 487 A N -0.535 122.228 122.820 -0.096 0.000 1.873 487 A HA 0.248 4.570 4.320 0.003 0.000 0.215 487 A C 2.481 179.963 177.584 -0.170 0.000 1.186 487 A CA 2.015 53.990 52.037 -0.103 0.000 0.616 487 A CB -0.913 18.047 19.000 -0.068 0.000 0.823 487 A HN 1.049 nan 8.150 nan 0.000 0.442 488 A N -0.064 122.586 122.820 -0.284 0.000 1.975 488 A HA 0.070 4.392 4.320 0.003 0.000 0.215 488 A C 2.215 179.539 177.584 -0.433 0.000 1.170 488 A CA 1.667 53.492 52.037 -0.354 0.000 0.656 488 A CB -0.662 18.065 19.000 -0.455 0.000 0.821 488 A HN 0.948 nan 8.150 nan 0.000 0.449 489 S N -0.011 115.268 115.700 -0.702 0.000 2.701 489 S HA -0.032 4.440 4.470 0.003 0.000 0.220 489 S C 1.389 175.796 174.600 -0.322 0.000 0.954 489 S CA 1.003 58.729 58.200 -0.789 0.000 0.936 489 S CB -1.012 61.181 63.200 -1.677 0.000 0.777 489 S HN 0.658 nan 8.310 nan 0.000 0.518 490 T N -1.491 112.973 114.554 -0.150 0.000 3.085 490 T HA 0.156 4.508 4.350 0.003 0.000 0.263 490 T C 0.297 175.014 174.700 0.029 0.000 1.127 490 T CA -0.338 61.764 62.100 0.003 0.000 1.103 490 T CB -0.770 68.157 68.868 0.100 0.000 0.921 490 T HN 0.394 nan 8.240 nan 0.000 0.510 491 F N 4.266 124.147 119.950 -0.115 0.000 2.563 491 F HA 0.326 4.854 4.527 0.002 0.000 0.363 491 F C 0.693 176.466 175.800 -0.045 0.000 1.123 491 F CA -0.981 56.978 58.000 -0.068 0.000 1.307 491 F CB 0.598 39.534 39.000 -0.107 0.000 1.115 491 F HN 0.171 nan 8.300 nan 0.000 0.592 492 R N 4.201 124.157 120.500 -0.907 0.000 2.538 492 R HA 0.458 4.800 4.340 0.003 0.000 0.292 492 R C 0.271 176.045 176.300 -0.876 0.000 1.008 492 R CA -0.457 55.279 56.100 -0.606 0.000 0.896 492 R CB 1.114 31.241 30.300 -0.288 0.000 1.187 492 R HN 0.769 nan 8.270 nan 0.000 0.440 493 G N 1.325 109.910 108.800 -0.358 0.000 2.559 493 G HA2 -0.252 3.710 3.960 0.003 0.000 0.216 493 G HA3 -0.252 3.710 3.960 0.003 0.000 0.216 493 G C 1.203 176.051 174.900 -0.086 0.000 1.126 493 G CA 0.737 45.797 45.100 -0.067 0.000 0.778 493 G HN 0.755 nan 8.290 nan 0.000 0.543 494 S N 1.532 117.158 115.700 -0.123 0.000 2.356 494 S HA -0.156 4.316 4.470 0.003 0.000 0.223 494 S C 1.605 176.179 174.600 -0.043 0.000 1.032 494 S CA 1.735 59.889 58.200 -0.076 0.000 1.005 494 S CB -0.159 62.989 63.200 -0.085 0.000 0.867 494 S HN 0.486 nan 8.310 nan 0.000 0.449 495 D N -0.781 119.581 120.400 -0.063 0.000 2.540 495 D HA 0.237 4.879 4.640 0.003 0.000 0.229 495 D C -0.013 176.241 176.300 -0.076 0.000 1.250 495 D CA -0.304 53.689 54.000 -0.012 0.000 0.817 495 D CB -0.358 40.533 40.800 0.151 0.000 1.060 495 D HN 0.257 nan 8.370 nan 0.000 0.508 496 K N 0.109 120.398 120.400 -0.186 0.000 3.088 496 K HA -0.223 4.099 4.320 0.003 0.000 0.273 496 K C -0.188 176.367 176.600 -0.076 0.000 1.111 496 K CA 0.645 56.842 56.287 -0.150 0.000 0.803 496 K CB -1.483 31.017 32.500 0.000 0.000 1.226 496 K HN 0.359 nan 8.250 nan 0.000 0.485 497 R N 0.052 120.446 120.500 -0.176 0.000 2.549 497 R HA 0.627 4.969 4.340 0.003 0.000 0.267 497 R C 1.006 177.267 176.300 -0.065 0.000 1.045 497 R CA -0.070 56.007 56.100 -0.039 0.000 1.115 497 R CB 1.067 31.372 30.300 0.009 0.000 1.121 497 R HN 0.321 nan 8.270 nan 0.000 0.543 498 G N -0.448 108.397 108.800 0.074 0.000 2.760 498 G HA2 0.196 4.158 3.960 0.003 0.000 0.246 498 G HA3 0.196 4.158 3.960 0.003 0.000 0.246 498 G C -0.022 175.025 174.900 0.245 0.000 1.359 498 G CA -0.459 44.710 45.100 0.115 0.000 0.861 498 G HN 1.149 nan 8.290 nan 0.000 0.541 499 G N -2.798 106.100 108.800 0.164 0.000 2.541 499 G HA2 0.495 4.457 3.960 0.003 0.000 0.686 499 G HA3 0.495 4.457 3.960 0.003 0.000 0.686 499 G C 0.906 175.796 174.900 -0.018 0.000 1.286 499 G CA 0.938 46.084 45.100 0.078 0.000 0.894 499 G HN 2.433 nan 8.290 nan 0.000 0.575 500 A N -0.235 122.532 122.820 -0.088 0.000 2.119 500 A HA 0.259 4.581 4.320 0.003 0.000 0.216 500 A C 1.298 178.852 177.584 -0.050 0.000 1.152 500 A CA 1.613 53.601 52.037 -0.082 0.000 0.708 500 A CB -0.349 18.584 19.000 -0.111 0.000 0.805 500 A HN 1.158 nan 8.150 nan 0.000 0.460 501 N N -0.197 118.476 118.700 -0.046 0.000 2.458 501 N HA 0.319 5.061 4.740 0.003 0.000 0.258 501 N C 1.115 176.619 175.510 -0.010 0.000 1.219 501 N CA 1.587 54.621 53.050 -0.027 0.000 0.902 501 N CB 0.572 39.044 38.487 -0.025 0.000 1.076 501 N HN 0.569 nan 8.380 nan 0.000 0.455 502 G N 2.124 110.918 108.800 -0.010 0.000 2.259 502 G HA2 -0.132 3.830 3.960 0.003 0.000 0.217 502 G HA3 -0.132 3.830 3.960 0.003 0.000 0.217 502 G C 0.391 175.281 174.900 -0.017 0.000 1.001 502 G CA 0.301 45.395 45.100 -0.010 0.000 0.627 502 G HN 1.606 nan 8.290 nan 0.000 0.501 503 A N -0.367 122.441 122.820 -0.020 0.000 2.596 503 A HA -0.258 4.064 4.320 0.003 0.000 0.300 503 A C 1.501 179.057 177.584 -0.046 0.000 1.495 503 A CA 2.251 54.271 52.037 -0.028 0.000 0.769 503 A CB -1.526 17.464 19.000 -0.017 0.000 1.047 503 A HN 0.973 nan 8.150 nan 0.000 0.436 504 R N -0.695 119.771 120.500 -0.058 0.000 2.276 504 R HA 0.130 4.472 4.340 0.003 0.000 0.203 504 R C 1.916 178.131 176.300 -0.143 0.000 1.017 504 R CA 1.002 57.050 56.100 -0.086 0.000 1.010 504 R CB -0.157 30.100 30.300 -0.072 0.000 0.900 504 R HN 0.819 nan 8.270 nan 0.000 0.469 505 I N 1.904 122.397 120.570 -0.128 0.000 2.567 505 I HA -0.265 3.907 4.170 0.003 0.000 0.257 505 I C 2.339 178.373 176.117 -0.138 0.000 1.184 505 I CA 1.193 62.400 61.300 -0.155 0.000 1.451 505 I CB 0.010 37.953 38.000 -0.094 0.000 1.089 505 I HN 0.116 nan 8.210 nan 0.000 0.441 506 R N 0.435 120.876 120.500 -0.099 0.000 2.297 506 R HA 0.112 4.454 4.340 0.003 0.000 0.197 506 R C 0.239 176.487 176.300 -0.087 0.000 0.943 506 R CA 0.106 56.160 56.100 -0.078 0.000 1.038 506 R CB -0.075 30.196 30.300 -0.049 0.000 0.957 506 R HN 0.292 nan 8.270 nan 0.000 0.484 507 L N 0.752 121.906 121.223 -0.115 0.000 2.331 507 L HA 0.574 4.916 4.340 0.003 0.000 0.268 507 L C 0.149 176.930 176.870 -0.148 0.000 1.015 507 L CA -1.410 53.367 54.840 -0.105 0.000 0.807 507 L CB 1.474 43.480 42.059 -0.088 0.000 1.293 507 L HN 0.012 nan 8.230 nan 0.000 0.451 508 A N 1.559 124.312 122.820 -0.112 0.000 2.462 508 A HA 0.341 4.663 4.320 0.003 0.000 0.243 508 A C -1.810 175.688 177.584 -0.143 0.000 1.076 508 A CA -0.795 51.168 52.037 -0.122 0.000 0.773 508 A CB -0.149 18.818 19.000 -0.054 0.000 1.010 508 A HN 0.601 nan 8.150 nan 0.000 0.493 509 P HA 0.013 nan 4.420 nan 0.000 0.257 509 P C 0.735 177.554 177.300 -0.802 0.000 1.241 509 P CA 0.427 63.364 63.100 -0.271 0.000 0.816 509 P CB 0.383 32.081 31.700 -0.003 0.000 1.150 510 Q N 1.356 120.545 119.800 -1.018 0.000 2.135 510 Q HA -0.170 4.172 4.340 0.003 0.000 0.204 510 Q C 2.082 177.654 176.000 -0.713 0.000 0.981 510 Q CA 1.744 56.691 55.803 -1.427 0.000 0.856 510 Q CB -0.456 27.729 28.738 -0.922 0.000 0.902 510 Q HN 0.472 nan 8.270 nan 0.000 0.425 511 K N 0.116 120.277 120.400 -0.397 0.000 2.362 511 K HA -0.108 4.214 4.320 0.003 0.000 0.200 511 K C 0.598 177.125 176.600 -0.121 0.000 1.046 511 K CA 1.445 57.614 56.287 -0.197 0.000 0.952 511 K CB 0.268 32.689 32.500 -0.133 0.000 0.753 511 K HN 0.052 nan 8.250 nan 0.000 0.466 512 D N -0.242 120.073 120.400 -0.141 0.000 2.379 512 D HA 0.010 4.652 4.640 0.003 0.000 0.208 512 D C -0.255 176.130 176.300 0.142 0.000 1.065 512 D CA -0.032 53.965 54.000 -0.005 0.000 0.848 512 D CB 0.105 40.908 40.800 0.005 0.000 0.949 512 D HN 0.167 nan 8.370 nan 0.000 0.509 513 W N 2.525 123.833 121.300 0.014 0.000 2.210 513 W HA 0.086 4.753 4.660 0.011 0.000 0.330 513 W C 1.835 178.353 176.519 -0.002 0.000 1.334 513 W CA -0.917 56.437 57.345 0.015 0.000 1.227 513 W CB 0.250 29.713 29.460 0.006 0.000 1.178 513 W HN 0.088 nan 8.180 nan 0.000 0.560 514 E N 2.589 122.932 120.200 0.239 0.000 2.070 514 E HA -0.267 4.085 4.350 0.003 0.000 0.197 514 E C 2.034 178.617 176.600 -0.028 0.000 1.004 514 E CA 2.180 58.658 56.400 0.130 0.000 0.805 514 E CB 0.071 29.887 29.700 0.193 0.000 0.744 514 E HN 0.491 nan 8.360 nan 0.000 0.451 515 A N 0.945 123.636 122.820 -0.216 0.000 1.978 515 A HA -0.196 4.126 4.320 0.003 0.000 0.220 515 A C 1.754 179.244 177.584 -0.157 0.000 1.170 515 A CA 1.708 53.395 52.037 -0.584 0.000 0.636 515 A CB -0.454 18.198 19.000 -0.579 0.000 0.810 515 A HN 0.287 nan 8.150 nan 0.000 0.448 516 N N -0.368 118.356 118.700 0.041 0.000 2.398 516 N HA 0.048 4.790 4.740 0.003 0.000 0.188 516 N C -0.473 175.066 175.510 0.049 0.000 1.122 516 N CA 0.439 53.535 53.050 0.078 0.000 0.866 516 N CB -0.105 38.451 38.487 0.115 0.000 0.970 516 N HN 0.573 nan 8.380 nan 0.000 0.462 517 Q N -1.062 118.761 119.800 0.038 0.000 2.455 517 Q HA -0.138 4.204 4.340 0.003 0.000 0.343 517 Q C -1.896 174.126 176.000 0.037 0.000 1.458 517 Q CA -0.218 55.608 55.803 0.037 0.000 0.923 517 Q CB -1.159 27.599 28.738 0.033 0.000 1.149 517 Q HN 0.267 nan 8.270 nan 0.000 0.357 518 P HA -0.254 nan 4.420 nan 0.000 0.217 518 P C 1.051 178.362 177.300 0.019 0.000 1.151 518 P CA 1.390 64.506 63.100 0.026 0.000 0.849 518 P CB 0.197 31.916 31.700 0.032 0.000 0.787 519 E N -0.314 119.901 120.200 0.024 0.000 2.028 519 E HA -0.211 4.141 4.350 0.003 0.000 0.190 519 E C 2.147 178.758 176.600 0.018 0.000 0.984 519 E CA 1.115 57.528 56.400 0.020 0.000 0.800 519 E CB -0.968 28.746 29.700 0.023 0.000 0.758 519 E HN 0.452 nan 8.360 nan 0.000 0.448 520 Q N 0.926 120.739 119.800 0.022 0.000 2.050 520 Q HA -0.165 4.177 4.340 0.003 0.000 0.202 520 Q C 2.340 178.352 176.000 0.021 0.000 0.980 520 Q CA 1.210 57.026 55.803 0.022 0.000 0.840 520 Q CB -0.219 28.536 28.738 0.028 0.000 0.898 520 Q HN 0.190 nan 8.270 nan 0.000 0.424 521 L N 0.922 122.158 121.223 0.021 0.000 2.043 521 L HA -0.156 4.186 4.340 0.003 0.000 0.212 521 L C 2.306 179.180 176.870 0.006 0.000 1.075 521 L CA 2.421 57.270 54.840 0.015 0.000 0.752 521 L CB -0.974 41.091 42.059 0.009 0.000 0.891 521 L HN 0.336 nan 8.230 nan 0.000 0.432 522 A N -0.629 122.193 122.820 0.004 0.000 1.902 522 A HA -0.061 4.261 4.320 0.003 0.000 0.217 522 A C 2.460 180.046 177.584 0.003 0.000 1.181 522 A CA 1.813 53.850 52.037 -0.000 0.000 0.623 522 A CB -1.193 17.807 19.000 0.000 0.000 0.818 522 A HN 0.605 nan 8.150 nan 0.000 0.443 523 A N -0.407 122.417 122.820 0.007 0.000 1.877 523 A HA -0.035 4.287 4.320 0.003 0.000 0.216 523 A C 2.244 179.832 177.584 0.007 0.000 1.186 523 A CA 1.948 53.989 52.037 0.008 0.000 0.620 523 A CB -1.065 17.941 19.000 0.010 0.000 0.822 523 A HN 0.428 nan 8.150 nan 0.000 0.443 524 V N 0.296 120.216 119.914 0.010 0.000 2.295 524 V HA -0.272 3.850 4.120 0.003 0.000 0.246 524 V C 2.566 178.663 176.094 0.005 0.000 1.049 524 V CA 2.001 64.308 62.300 0.011 0.000 1.024 524 V CB -0.899 30.935 31.823 0.019 0.000 0.648 524 V HN 0.565 nan 8.190 nan 0.000 0.447 525 L N -0.241 120.984 121.223 0.003 0.000 2.131 525 L HA -0.202 4.140 4.340 0.003 0.000 0.210 525 L C 2.595 179.463 176.870 -0.003 0.000 1.092 525 L CA 1.853 56.691 54.840 -0.003 0.000 0.759 525 L CB -0.588 41.466 42.059 -0.009 0.000 0.903 525 L HN 0.449 nan 8.230 nan 0.000 0.435 526 E N -0.172 120.028 120.200 -0.001 0.000 2.106 526 E HA -0.180 4.172 4.350 0.003 0.000 0.192 526 E C 1.969 178.570 176.600 0.001 0.000 0.984 526 E CA 1.664 58.064 56.400 -0.000 0.000 0.806 526 E CB 0.170 29.871 29.700 0.001 0.000 0.750 526 E HN 0.413 nan 8.360 nan 0.000 0.458 527 T N 1.348 115.903 114.554 0.001 0.000 2.777 527 T HA -0.092 4.260 4.350 0.003 0.000 0.266 527 T C 1.908 176.607 174.700 -0.002 0.000 1.040 527 T CA 0.831 62.932 62.100 0.001 0.000 1.141 527 T CB -0.143 68.725 68.868 0.001 0.000 0.868 527 T HN 0.142 nan 8.240 nan 0.000 0.444 528 L N 0.697 121.917 121.223 -0.005 0.000 2.046 528 L HA -0.099 4.243 4.340 0.003 0.000 0.208 528 L C 2.810 179.676 176.870 -0.007 0.000 1.077 528 L CA 1.324 56.157 54.840 -0.012 0.000 0.747 528 L CB -0.468 41.582 42.059 -0.014 0.000 0.896 528 L HN 0.239 nan 8.230 nan 0.000 0.432 529 E N 0.516 120.714 120.200 -0.003 0.000 2.110 529 E HA -0.195 4.157 4.350 0.003 0.000 0.193 529 E C 2.109 178.714 176.600 0.009 0.000 0.988 529 E CA 1.399 57.800 56.400 0.002 0.000 0.804 529 E CB -0.058 29.642 29.700 0.001 0.000 0.745 529 E HN 0.372 nan 8.360 nan 0.000 0.458 530 A N 0.546 123.371 122.820 0.009 0.000 1.902 530 A HA -0.158 4.164 4.320 0.003 0.000 0.217 530 A C 2.324 179.922 177.584 0.023 0.000 1.181 530 A CA 1.561 53.606 52.037 0.014 0.000 0.623 530 A CB -0.737 18.269 19.000 0.010 0.000 0.818 530 A HN 0.359 nan 8.150 nan 0.000 0.443 531 I N -1.163 119.418 120.570 0.018 0.000 2.127 531 I HA -0.288 3.884 4.170 0.003 0.000 0.241 531 I C 2.769 178.921 176.117 0.058 0.000 1.075 531 I CA 1.795 63.111 61.300 0.027 0.000 1.334 531 I CB -0.356 37.642 38.000 -0.005 0.000 1.040 531 I HN 0.352 nan 8.210 nan 0.000 0.405 532 R N 0.355 120.877 120.500 0.037 0.000 2.083 532 R HA -0.177 4.165 4.340 0.003 0.000 0.237 532 R C 2.352 178.714 176.300 0.102 0.000 1.137 532 R CA 2.267 58.406 56.100 0.064 0.000 0.951 532 R CB -0.353 29.962 30.300 0.025 0.000 0.851 532 R HN 0.303 nan 8.270 nan 0.000 0.434 533 T N 0.479 115.069 114.554 0.059 0.000 2.684 533 T HA -0.165 4.187 4.350 0.003 0.000 0.267 533 T C 1.758 176.488 174.700 0.050 0.000 1.036 533 T CA 1.523 63.648 62.100 0.043 0.000 1.148 533 T CB -0.285 68.596 68.868 0.022 0.000 0.863 533 T HN 0.463 nan 8.240 nan 0.000 0.436 534 A N 0.643 123.500 122.820 0.062 0.000 1.930 534 A HA 0.025 4.347 4.320 0.003 0.000 0.217 534 A C 2.017 179.649 177.584 0.080 0.000 1.175 534 A CA 1.221 53.291 52.037 0.055 0.000 0.627 534 A CB -0.867 18.165 19.000 0.054 0.000 0.815 534 A HN 0.497 nan 8.150 nan 0.000 0.443 535 F N 1.481 121.422 119.950 -0.016 0.000 2.084 535 F HA -0.180 4.348 4.527 0.002 0.000 0.296 535 F C 2.036 177.824 175.800 -0.021 0.000 1.111 535 F CA 2.062 60.052 58.000 -0.016 0.000 1.224 535 F CB -0.283 38.708 39.000 -0.015 0.000 0.991 535 F HN 0.194 nan 8.300 nan 0.000 0.471 536 N N 0.711 119.490 118.700 0.131 0.000 2.149 536 N HA -0.147 4.595 4.740 0.003 0.000 0.188 536 N C 2.066 177.512 175.510 -0.106 0.000 1.019 536 N CA 1.458 54.502 53.050 -0.010 0.000 0.857 536 N CB -1.293 37.224 38.487 0.051 0.000 0.997 536 N HN 0.497 nan 8.380 nan 0.000 0.426 537 G N 0.065 108.825 108.800 -0.067 0.000 2.443 537 G HA2 -0.087 3.875 3.960 0.003 0.000 0.219 537 G HA3 -0.087 3.875 3.960 0.003 0.000 0.219 537 G C 1.392 176.231 174.900 -0.102 0.000 1.131 537 G CA 0.854 45.914 45.100 -0.067 0.000 0.775 537 G HN 0.448 nan 8.290 nan 0.000 0.547 538 A N -0.804 121.923 122.820 -0.156 0.000 2.238 538 A HA 0.286 4.608 4.320 0.003 0.000 0.208 538 A C 1.290 178.737 177.584 -0.228 0.000 1.177 538 A CA 0.334 52.265 52.037 -0.177 0.000 0.804 538 A CB 0.023 18.913 19.000 -0.182 0.000 0.823 538 A HN 0.295 nan 8.150 nan 0.000 0.482 539 Q N 0.341 119.979 119.800 -0.269 0.000 2.260 539 Q HA 0.452 4.794 4.340 0.003 0.000 0.238 539 Q C -0.331 175.585 176.000 -0.140 0.000 0.948 539 Q CA -0.152 55.494 55.803 -0.261 0.000 0.895 539 Q CB 0.834 29.390 28.738 -0.304 0.000 1.218 539 Q HN 0.206 nan 8.270 nan 0.000 0.470 540 R N -0.801 119.635 120.500 -0.107 0.000 2.787 540 R HA 0.556 4.898 4.340 0.003 0.000 0.271 540 R C 0.457 176.735 176.300 -0.037 0.000 0.993 540 R CA -0.262 55.801 56.100 -0.061 0.000 0.993 540 R CB 1.033 31.304 30.300 -0.048 0.000 1.155 540 R HN 0.857 nan 8.270 nan 0.000 0.486 541 G N 0.040 108.827 108.800 -0.022 0.000 2.198 541 G HA2 -0.224 3.738 3.960 0.003 0.000 0.260 541 G HA3 -0.224 3.738 3.960 0.003 0.000 0.260 541 G C 0.819 175.725 174.900 0.010 0.000 1.025 541 G CA 0.955 46.053 45.100 -0.004 0.000 0.769 541 G HN 1.233 nan 8.290 nan 0.000 0.507 542 G N -0.934 107.865 108.800 -0.000 0.000 2.179 542 G HA2 -0.297 3.665 3.960 0.003 0.000 0.260 542 G HA3 -0.297 3.665 3.960 0.003 0.000 0.260 542 G C 0.480 175.393 174.900 0.021 0.000 0.977 542 G CA 1.355 46.463 45.100 0.014 0.000 0.641 542 G HN 1.464 nan 8.290 nan 0.000 0.533 543 K N 0.885 121.300 120.400 0.024 0.000 2.448 543 K HA 0.410 4.732 4.320 0.003 0.000 0.278 543 K C 0.528 177.119 176.600 -0.015 0.000 1.009 543 K CA 0.757 57.083 56.287 0.065 0.000 0.995 543 K CB 0.144 32.688 32.500 0.074 0.000 0.917 543 K HN 0.702 nan 8.250 nan 0.000 0.481 544 Q N 1.027 120.797 119.800 -0.050 0.000 2.534 544 Q HA 0.466 4.808 4.340 0.003 0.000 0.290 544 Q C -1.930 174.102 176.000 0.054 0.000 0.991 544 Q CA -1.111 54.656 55.803 -0.060 0.000 0.783 544 Q CB 1.760 30.323 28.738 -0.292 0.000 1.470 544 Q HN 0.300 nan 8.270 nan 0.000 0.406 545 V N 1.806 121.802 119.914 0.137 0.000 2.483 545 V HA 0.670 4.792 4.120 0.003 0.000 0.295 545 V C -0.374 175.752 176.094 0.055 0.000 1.035 545 V CA 0.085 62.441 62.300 0.093 0.000 0.896 545 V CB 1.848 33.643 31.823 -0.047 0.000 0.986 545 V HN 0.997 nan 8.190 nan 0.000 0.447 546 S N 5.778 121.533 115.700 0.092 0.000 2.593 546 S HA 0.168 4.640 4.470 0.003 0.000 0.269 546 S C 0.856 175.479 174.600 0.038 0.000 1.334 546 S CA -0.195 58.047 58.200 0.070 0.000 1.015 546 S CB 1.166 64.424 63.200 0.096 0.000 0.912 546 S HN 0.785 nan 8.310 nan 0.000 0.541 547 L N 1.998 123.235 121.223 0.023 0.000 2.093 547 L HA 0.104 4.446 4.340 0.003 0.000 0.208 547 L C 2.633 179.511 176.870 0.014 0.000 1.085 547 L CA 2.162 57.007 54.840 0.009 0.000 0.755 547 L CB -1.621 40.439 42.059 0.001 0.000 0.904 547 L HN 0.970 nan 8.230 nan 0.000 0.435 548 A N -0.778 122.056 122.820 0.023 0.000 1.883 548 A HA -0.261 4.061 4.320 0.003 0.000 0.217 548 A C 2.072 179.690 177.584 0.055 0.000 1.186 548 A CA 2.103 54.154 52.037 0.023 0.000 0.624 548 A CB -0.859 18.151 19.000 0.016 0.000 0.822 548 A HN 0.482 nan 8.150 nan 0.000 0.444 549 D N -0.700 119.757 120.400 0.095 0.000 2.097 549 D HA -0.109 4.533 4.640 0.003 0.000 0.195 549 D C 1.857 178.227 176.300 0.116 0.000 0.989 549 D CA 1.188 55.317 54.000 0.214 0.000 0.827 549 D CB -0.390 40.571 40.800 0.269 0.000 0.966 549 D HN 0.286 nan 8.370 nan 0.000 0.456 550 L N 0.905 122.132 121.223 0.007 0.000 2.046 550 L HA -0.092 4.250 4.340 0.003 0.000 0.208 550 L C 2.152 178.981 176.870 -0.069 0.000 1.077 550 L CA 1.186 55.974 54.840 -0.087 0.000 0.747 550 L CB -0.539 41.470 42.059 -0.084 0.000 0.896 550 L HN 0.029 nan 8.230 nan 0.000 0.432 551 I N -1.723 118.837 120.570 -0.017 0.000 2.151 551 I HA -0.346 3.826 4.170 0.003 0.000 0.243 551 I C 2.301 178.434 176.117 0.026 0.000 1.080 551 I CA 1.502 62.805 61.300 0.005 0.000 1.339 551 I CB -0.463 37.542 38.000 0.009 0.000 1.039 551 I HN 0.077 nan 8.210 nan 0.000 0.409 552 V N 0.321 120.261 119.914 0.044 0.000 2.358 552 V HA -0.243 3.879 4.120 0.003 0.000 0.246 552 V C 2.317 178.428 176.094 0.029 0.000 1.047 552 V CA 1.475 63.832 62.300 0.095 0.000 1.035 552 V CB -0.509 31.426 31.823 0.187 0.000 0.658 552 V HN 0.344 nan 8.190 nan 0.000 0.452 553 L N 0.965 122.035 121.223 -0.255 0.000 2.046 553 L HA -0.081 4.261 4.340 0.003 0.000 0.208 553 L C 2.442 179.166 176.870 -0.243 0.000 1.077 553 L CA 2.330 56.818 54.840 -0.587 0.000 0.747 553 L CB -0.949 40.515 42.059 -0.992 0.000 0.896 553 L HN 0.230 nan 8.230 nan 0.000 0.432 554 A N -0.655 122.082 122.820 -0.137 0.000 1.902 554 A HA -0.067 4.255 4.320 0.003 0.000 0.217 554 A C 2.353 179.948 177.584 0.018 0.000 1.181 554 A CA 1.484 53.484 52.037 -0.061 0.000 0.623 554 A CB -1.545 17.431 19.000 -0.039 0.000 0.818 554 A HN 0.517 nan 8.150 nan 0.000 0.443 555 G N -0.850 108.020 108.800 0.117 0.000 2.440 555 G HA2 -0.276 3.686 3.960 0.003 0.000 0.218 555 G HA3 -0.276 3.686 3.960 0.003 0.000 0.218 555 G C 1.569 176.596 174.900 0.211 0.000 1.154 555 G CA 1.340 46.604 45.100 0.274 0.000 0.767 555 G HN 0.528 nan 8.290 nan 0.000 0.552 556 C N 0.865 120.300 119.300 0.224 0.000 2.429 556 C HA 0.193 4.655 4.460 0.003 0.000 0.277 556 C C 3.531 178.520 174.990 -0.002 0.000 1.262 556 C CA 0.700 59.809 59.018 0.150 0.000 1.733 556 C CB -0.978 26.851 27.740 0.148 0.000 2.010 556 C HN 0.579 nan 8.230 nan 0.000 0.483 557 A N 1.070 123.871 122.820 -0.031 0.000 1.883 557 A HA 0.010 4.332 4.320 0.003 0.000 0.217 557 A C 2.424 179.974 177.584 -0.057 0.000 1.186 557 A CA 2.217 54.223 52.037 -0.051 0.000 0.624 557 A CB -1.357 17.606 19.000 -0.062 0.000 0.822 557 A HN 0.546 nan 8.150 nan 0.000 0.444 558 G N -0.547 108.218 108.800 -0.058 0.000 2.446 558 G HA2 -0.172 3.790 3.960 0.003 0.000 0.217 558 G HA3 -0.172 3.790 3.960 0.003 0.000 0.217 558 G C 1.516 176.327 174.900 -0.148 0.000 1.168 558 G CA 1.395 46.444 45.100 -0.086 0.000 0.771 558 G HN 0.357 nan 8.290 nan 0.000 0.551 559 V N 0.664 120.443 119.914 -0.226 0.000 2.343 559 V HA -0.164 3.958 4.120 0.003 0.000 0.247 559 V C 2.660 178.663 176.094 -0.151 0.000 1.051 559 V CA 2.202 64.334 62.300 -0.280 0.000 1.036 559 V CB -0.520 31.012 31.823 -0.485 0.000 0.654 559 V HN 0.474 nan 8.190 nan 0.000 0.451 560 E N -0.210 119.934 120.200 -0.095 0.000 2.077 560 E HA -0.308 4.044 4.350 0.003 0.000 0.193 560 E C 2.269 178.845 176.600 -0.039 0.000 0.989 560 E CA 1.493 57.865 56.400 -0.047 0.000 0.800 560 E CB -0.152 29.532 29.700 -0.026 0.000 0.746 560 E HN 0.530 nan 8.360 nan 0.000 0.452 561 Q N 0.899 120.670 119.800 -0.048 0.000 2.084 561 Q HA -0.152 4.190 4.340 0.003 0.000 0.202 561 Q C 1.959 177.934 176.000 -0.043 0.000 0.978 561 Q CA 1.866 57.646 55.803 -0.038 0.000 0.844 561 Q CB -0.363 28.351 28.738 -0.040 0.000 0.898 561 Q HN 0.251 nan 8.270 nan 0.000 0.426 562 A N 0.388 123.163 122.820 -0.075 0.000 1.892 562 A HA -0.156 4.166 4.320 0.003 0.000 0.218 562 A C 2.315 179.870 177.584 -0.049 0.000 1.188 562 A CA 2.202 54.188 52.037 -0.085 0.000 0.631 562 A CB -1.327 17.580 19.000 -0.155 0.000 0.822 562 A HN 0.557 nan 8.150 nan 0.000 0.447 563 A N -0.407 122.387 122.820 -0.043 0.000 1.902 563 A HA -0.173 4.149 4.320 0.003 0.000 0.217 563 A C 2.151 179.786 177.584 0.085 0.000 1.181 563 A CA 2.016 54.063 52.037 0.016 0.000 0.623 563 A CB -0.493 18.509 19.000 0.003 0.000 0.818 563 A HN 0.570 nan 8.150 nan 0.000 0.443 564 K N -0.314 120.113 120.400 0.045 0.000 2.063 564 K HA -0.223 4.099 4.320 0.003 0.000 0.208 564 K C 1.565 178.184 176.600 0.033 0.000 1.048 564 K CA 1.704 58.015 56.287 0.039 0.000 0.928 564 K CB -0.258 32.251 32.500 0.016 0.000 0.713 564 K HN 0.417 nan 8.250 nan 0.000 0.442 565 N N 0.606 119.318 118.700 0.020 0.000 2.205 565 N HA -0.149 4.593 4.740 0.003 0.000 0.186 565 N C 1.255 176.787 175.510 0.036 0.000 1.015 565 N CA 1.348 54.407 53.050 0.016 0.000 0.862 565 N CB -0.231 38.255 38.487 -0.002 0.000 0.986 565 N HN 0.300 nan 8.380 nan 0.000 0.429 566 A N -0.483 122.383 122.820 0.076 0.000 2.278 566 A HA 0.463 4.785 4.320 0.003 0.000 0.212 566 A C 1.377 179.033 177.584 0.119 0.000 1.213 566 A CA 0.582 52.698 52.037 0.132 0.000 0.840 566 A CB -0.315 18.814 19.000 0.215 0.000 0.866 566 A HN 0.289 nan 8.150 nan 0.000 0.489 567 G N -0.849 107.979 108.800 0.047 0.000 2.136 567 G HA2 -0.200 3.762 3.960 0.003 0.000 0.242 567 G HA3 -0.200 3.762 3.960 0.003 0.000 0.242 567 G C -0.062 174.748 174.900 -0.150 0.000 0.989 567 G CA 0.262 45.328 45.100 -0.056 0.000 0.682 567 G HN 0.697 nan 8.290 nan 0.000 0.522 568 H N -0.238 118.841 119.070 0.015 0.000 2.472 568 H HA 0.641 5.199 4.556 0.003 0.000 0.338 568 H C 0.204 175.539 175.328 0.012 0.000 1.133 568 H CA 0.101 56.161 56.048 0.020 0.000 1.216 568 H CB 2.004 31.783 29.762 0.029 0.000 1.497 568 H HN 0.479 nan 8.280 nan 0.000 0.500 569 A N 3.438 126.333 122.820 0.126 0.000 2.280 569 A HA 0.496 4.818 4.320 0.003 0.000 0.320 569 A C -0.552 177.080 177.584 0.079 0.000 1.366 569 A CA -0.488 51.594 52.037 0.075 0.000 0.938 569 A CB 0.003 19.030 19.000 0.045 0.000 1.157 569 A HN 0.361 nan 8.150 nan 0.000 0.536 570 V N 1.942 121.893 119.914 0.062 0.000 2.623 570 V HA 0.522 4.644 4.120 0.003 0.000 0.304 570 V C 0.030 176.144 176.094 0.034 0.000 1.054 570 V CA -0.406 61.922 62.300 0.048 0.000 0.882 570 V CB 2.149 33.993 31.823 0.036 0.000 1.002 570 V HN 0.820 nan 8.190 nan 0.000 0.424 571 T N 4.451 119.027 114.554 0.036 0.000 2.770 571 T HA 0.587 4.939 4.350 0.003 0.000 0.283 571 T C -0.653 174.076 174.700 0.049 0.000 0.988 571 T CA -0.243 61.879 62.100 0.037 0.000 0.957 571 T CB 1.022 69.913 68.868 0.038 0.000 0.930 571 T HN 0.384 nan 8.240 nan 0.000 0.443 572 V N 9.236 129.185 119.914 0.059 0.000 2.432 572 V HA 0.375 4.497 4.120 0.003 0.000 0.275 572 V C -1.756 174.414 176.094 0.126 0.000 1.043 572 V CA -1.671 60.685 62.300 0.094 0.000 0.925 572 V CB 1.020 32.910 31.823 0.110 0.000 0.985 572 V HN 0.792 nan 8.190 nan 0.000 0.466 573 P HA 0.243 nan 4.420 nan 0.000 0.269 573 P C -1.024 176.401 177.300 0.209 0.000 1.215 573 P CA -0.024 63.149 63.100 0.121 0.000 0.780 573 P CB 0.407 32.144 31.700 0.060 0.000 0.898 574 F N 0.993 120.945 119.950 0.004 0.000 2.596 574 F HA 0.615 5.143 4.527 0.003 0.000 0.311 574 F C -1.579 174.204 175.800 -0.028 0.000 1.116 574 F CA -0.966 57.029 58.000 -0.009 0.000 0.957 574 F CB 1.632 40.633 39.000 0.002 0.000 1.250 574 F HN 0.418 nan 8.300 nan 0.000 0.444 575 A N 7.835 130.124 122.820 -0.885 0.000 2.291 575 A HA 0.763 5.085 4.320 0.003 0.000 0.311 575 A C -2.842 174.076 177.584 -1.111 0.000 1.224 575 A CA -1.640 49.942 52.037 -0.759 0.000 0.821 575 A CB 0.547 19.306 19.000 -0.402 0.000 1.172 575 A HN 0.486 nan 8.150 nan 0.000 0.494 576 P HA 0.488 nan 4.420 nan 0.000 0.277 576 P C 0.748 177.899 177.300 -0.249 0.000 1.276 576 P CA 0.947 63.763 63.100 -0.474 0.000 0.788 576 P CB 0.952 32.594 31.700 -0.096 0.000 1.114 577 G N -1.188 107.545 108.800 -0.113 0.000 2.227 577 G HA2 -0.140 3.822 3.960 0.003 0.000 0.168 577 G HA3 -0.140 3.822 3.960 0.003 0.000 0.168 577 G C 0.144 175.001 174.900 -0.071 0.000 1.006 577 G CA -0.532 44.511 45.100 -0.096 0.000 0.684 577 G HN 0.534 nan 8.290 nan 0.000 0.489 578 R N 0.656 121.127 120.500 -0.048 0.000 2.594 578 R HA 0.620 4.962 4.340 0.003 0.000 0.272 578 R C 0.519 176.828 176.300 0.014 0.000 1.074 578 R CA 0.664 56.749 56.100 -0.024 0.000 1.105 578 R CB 0.874 31.166 30.300 -0.012 0.000 1.008 578 R HN 0.511 nan 8.270 nan 0.000 0.472 579 A N 1.631 124.457 122.820 0.009 0.000 2.350 579 A HA 0.377 4.699 4.320 0.003 0.000 0.318 579 A C -1.121 176.476 177.584 0.021 0.000 1.132 579 A CA -0.923 51.133 52.037 0.032 0.000 0.811 579 A CB 1.149 20.158 19.000 0.016 0.000 1.313 579 A HN 0.607 nan 8.150 nan 0.000 0.454 580 D N 1.439 121.856 120.400 0.028 0.000 2.317 580 D HA 0.502 5.144 4.640 0.003 0.000 0.234 580 D C 0.263 176.565 176.300 0.003 0.000 1.112 580 D CA 0.384 54.391 54.000 0.012 0.000 0.840 580 D CB 1.569 42.378 40.800 0.015 0.000 1.078 580 D HN 0.697 nan 8.370 nan 0.000 0.486 581 A N 2.187 125.003 122.820 -0.007 0.000 2.351 581 A HA 0.481 4.803 4.320 0.003 0.000 0.257 581 A C 0.734 178.310 177.584 -0.014 0.000 1.087 581 A CA -0.473 51.557 52.037 -0.012 0.000 0.798 581 A CB 0.400 19.390 19.000 -0.016 0.000 1.033 581 A HN 0.525 nan 8.150 nan 0.000 0.488 582 S N 0.409 116.101 115.700 -0.013 0.000 2.693 582 S HA 0.299 4.771 4.470 0.003 0.000 0.276 582 S C 0.843 175.434 174.600 -0.015 0.000 1.192 582 S CA -0.001 58.192 58.200 -0.013 0.000 0.994 582 S CB 1.127 64.321 63.200 -0.009 0.000 1.012 582 S HN 0.726 nan 8.310 nan 0.000 0.550 583 Q N 0.608 120.399 119.800 -0.014 0.000 2.135 583 Q HA -0.125 4.217 4.340 0.003 0.000 0.204 583 Q C 1.585 177.582 176.000 -0.005 0.000 0.981 583 Q CA 2.113 57.908 55.803 -0.014 0.000 0.856 583 Q CB -0.581 28.149 28.738 -0.013 0.000 0.902 583 Q HN 0.871 nan 8.270 nan 0.000 0.425 584 E N -0.152 120.047 120.200 -0.002 0.000 2.268 584 E HA -0.143 4.209 4.350 0.003 0.000 0.195 584 E C 1.217 177.818 176.600 0.001 0.000 0.995 584 E CA 0.965 57.367 56.400 0.003 0.000 0.836 584 E CB 0.034 29.736 29.700 0.003 0.000 0.763 584 E HN 0.485 nan 8.360 nan 0.000 0.491 585 Q N -0.318 119.478 119.800 -0.006 0.000 2.280 585 Q HA 0.122 4.464 4.340 0.003 0.000 0.202 585 Q C -0.462 175.534 176.000 -0.007 0.000 0.903 585 Q CA 0.358 56.153 55.803 -0.013 0.000 0.948 585 Q CB 0.762 29.486 28.738 -0.023 0.000 1.058 585 Q HN -0.024 nan 8.270 nan 0.000 0.493 586 T N 0.767 115.323 114.554 0.003 0.000 3.038 586 T HA 0.053 4.405 4.350 0.003 0.000 0.344 586 T C -1.153 173.562 174.700 0.025 0.000 1.054 586 T CA -0.756 61.349 62.100 0.009 0.000 1.092 586 T CB 0.974 69.836 68.868 -0.010 0.000 1.031 586 T HN 0.005 nan 8.240 nan 0.000 0.482 587 D N 3.054 123.483 120.400 0.049 0.000 2.346 587 D HA 0.068 4.709 4.640 0.003 0.000 0.260 587 D C 1.262 177.606 176.300 0.073 0.000 1.252 587 D CA -0.157 53.885 54.000 0.069 0.000 0.895 587 D CB 1.109 41.969 40.800 0.100 0.000 1.097 587 D HN 0.183 nan 8.370 nan 0.000 0.489 588 V N 4.613 124.565 119.914 0.063 0.000 2.490 588 V HA -0.182 3.940 4.120 0.003 0.000 0.250 588 V C 2.123 178.278 176.094 0.101 0.000 1.061 588 V CA 1.436 63.777 62.300 0.067 0.000 1.064 588 V CB -0.204 31.649 31.823 0.051 0.000 0.670 588 V HN 0.548 nan 8.190 nan 0.000 0.461 589 E N -0.646 119.613 120.200 0.099 0.000 2.112 589 E HA -0.106 4.246 4.350 0.003 0.000 0.190 589 E C 2.426 179.096 176.600 0.117 0.000 0.979 589 E CA 1.234 57.697 56.400 0.106 0.000 0.814 589 E CB -0.514 29.241 29.700 0.093 0.000 0.762 589 E HN 0.483 nan 8.360 nan 0.000 0.460 590 S N 0.477 116.249 115.700 0.121 0.000 2.382 590 S HA -0.134 4.338 4.470 0.003 0.000 0.228 590 S C 1.878 176.562 174.600 0.141 0.000 1.027 590 S CA 0.990 59.268 58.200 0.131 0.000 0.991 590 S CB -0.049 63.238 63.200 0.144 0.000 0.823 590 S HN 0.054 nan 8.310 nan 0.000 0.469 591 M N 1.483 121.175 119.600 0.153 0.000 2.229 591 M HA 0.167 4.649 4.480 0.003 0.000 0.264 591 M C 1.945 178.434 176.300 0.316 0.000 1.063 591 M CA 1.129 56.552 55.300 0.204 0.000 1.114 591 M CB -0.781 31.910 32.600 0.151 0.000 1.387 591 M HN 0.335 nan 8.290 nan 0.000 0.420 592 A N -0.446 122.531 122.820 0.261 0.000 1.927 592 A HA -0.202 4.120 4.320 0.003 0.000 0.220 592 A C 2.084 179.725 177.584 0.096 0.000 1.185 592 A CA 2.357 54.533 52.037 0.232 0.000 0.639 592 A CB -1.687 17.404 19.000 0.152 0.000 0.820 592 A HN 0.575 nan 8.150 nan 0.000 0.451 593 V N -2.480 117.478 119.914 0.073 0.000 2.913 593 V HA -0.049 4.073 4.120 0.003 0.000 0.260 593 V C 1.856 177.928 176.094 -0.037 0.000 1.098 593 V CA 1.669 63.968 62.300 -0.002 0.000 1.121 593 V CB -0.854 30.969 31.823 -0.000 0.000 0.714 593 V HN 0.470 nan 8.190 nan 0.000 0.487 594 L N 0.264 121.505 121.223 0.029 0.000 2.591 594 L HA 0.250 4.592 4.340 0.003 0.000 0.228 594 L C 1.297 178.014 176.870 -0.254 0.000 1.133 594 L CA 0.224 55.072 54.840 0.014 0.000 0.880 594 L CB -0.289 41.892 42.059 0.204 0.000 1.033 594 L HN 0.442 nan 8.230 nan 0.000 0.450 595 E N 3.670 123.490 120.200 -0.634 0.000 2.417 595 E HA 0.014 4.366 4.350 0.003 0.000 0.261 595 E C -1.955 174.283 176.600 -0.603 0.000 1.000 595 E CA -1.526 54.048 56.400 -1.376 0.000 0.919 595 E CB 0.762 29.647 29.700 -1.358 0.000 0.955 595 E HN -0.020 nan 8.360 nan 0.000 0.455 596 P HA 0.006 nan 4.420 nan 0.000 0.232 596 P C 0.867 178.205 177.300 0.063 0.000 1.814 596 P CA -0.094 62.947 63.100 -0.099 0.000 1.085 596 P CB 0.379 32.094 31.700 0.024 0.000 1.901 597 V N 0.382 120.294 119.914 -0.003 0.000 2.688 597 V HA 0.012 4.134 4.120 0.003 0.000 0.256 597 V C 0.875 177.048 176.094 0.132 0.000 1.084 597 V CA 1.395 63.757 62.300 0.104 0.000 1.103 597 V CB -1.201 30.622 31.823 -0.002 0.000 0.688 597 V HN 0.407 nan 8.190 nan 0.000 0.480 598 A N 0.298 123.169 122.820 0.084 0.000 2.335 598 A HA 0.693 5.015 4.320 0.003 0.000 0.304 598 A C -1.066 176.637 177.584 0.199 0.000 1.118 598 A CA -0.206 51.897 52.037 0.110 0.000 0.757 598 A CB 1.352 20.359 19.000 0.013 0.000 1.188 598 A HN 0.349 nan 8.150 nan 0.000 0.460 599 D N 2.345 122.927 120.400 0.305 0.000 2.346 599 D HA 0.377 5.019 4.640 0.003 0.000 0.255 599 D C 1.210 177.663 176.300 0.256 0.000 1.276 599 D CA 0.358 54.566 54.000 0.347 0.000 0.941 599 D CB 0.939 42.008 40.800 0.449 0.000 1.199 599 D HN 0.496 nan 8.370 nan 0.000 0.537 600 G N 1.373 110.216 108.800 0.073 0.000 2.462 600 G HA2 -0.242 3.720 3.960 0.003 0.000 0.220 600 G HA3 -0.242 3.720 3.960 0.003 0.000 0.220 600 G C 1.172 175.962 174.900 -0.184 0.000 1.121 600 G CA 0.424 45.459 45.100 -0.108 0.000 0.758 600 G HN 0.492 nan 8.290 nan 0.000 0.559 601 F N 0.066 120.058 119.950 0.071 0.000 2.502 601 F HA 0.184 4.713 4.527 0.003 0.000 0.298 601 F C 2.482 178.157 175.800 -0.209 0.000 1.111 601 F CA 0.622 58.538 58.000 -0.140 0.000 1.445 601 F CB 0.276 39.127 39.000 -0.248 0.000 1.081 601 F HN -0.006 nan 8.300 nan 0.000 0.558 602 R N -0.182 120.399 120.500 0.134 0.000 2.613 602 R HA 0.109 4.451 4.340 0.003 0.000 0.361 602 R C -0.004 176.377 176.300 0.137 0.000 1.072 602 R CA -0.225 55.937 56.100 0.103 0.000 1.089 602 R CB -0.124 30.290 30.300 0.189 0.000 1.343 602 R HN -0.058 nan 8.270 nan 0.000 0.571 603 N N 1.205 119.965 118.700 0.100 0.000 2.714 603 N HA -0.278 4.464 4.740 0.003 0.000 0.252 603 N C -1.560 174.070 175.510 0.199 0.000 1.014 603 N CA 0.941 54.059 53.050 0.113 0.000 0.735 603 N CB -0.923 37.617 38.487 0.088 0.000 0.924 603 N HN 0.383 nan 8.380 nan 0.000 0.540 604 Y N 0.009 120.360 120.300 0.085 0.000 2.364 604 Y HA 0.666 5.219 4.550 0.005 0.000 0.340 604 Y C -0.739 175.223 175.900 0.103 0.000 0.975 604 Y CA -0.874 57.285 58.100 0.098 0.000 1.089 604 Y CB 1.012 39.543 38.460 0.118 0.000 1.192 604 Y HN 0.108 nan 8.280 nan 0.000 0.454 605 L N 7.373 128.247 121.223 -0.582 0.000 2.439 605 L HA 0.420 4.762 4.340 0.003 0.000 0.270 605 L C 0.693 177.128 176.870 -0.726 0.000 0.972 605 L CA -0.628 53.924 54.840 -0.479 0.000 0.836 605 L CB 2.188 44.141 42.059 -0.176 0.000 1.255 605 L HN 0.695 nan 8.230 nan 0.000 0.404 606 K N 1.672 121.742 120.400 -0.550 0.000 2.116 606 K HA 0.115 4.437 4.320 0.003 0.000 0.203 606 K C 0.695 177.158 176.600 -0.229 0.000 1.052 606 K CA 1.106 57.200 56.287 -0.322 0.000 0.952 606 K CB 0.370 32.890 32.500 0.034 0.000 0.729 606 K HN 0.831 nan 8.250 nan 0.000 0.446 607 G N -0.059 108.495 108.800 -0.410 0.000 3.135 607 G HA2 0.344 4.306 3.960 0.003 0.000 0.278 607 G HA3 0.344 4.306 3.960 0.003 0.000 0.278 607 G C -1.553 172.798 174.900 -0.915 0.000 1.302 607 G CA -0.655 44.094 45.100 -0.585 0.000 0.880 607 G HN -0.017 nan 8.290 nan 0.000 0.574 608 K N 0.254 120.222 120.400 -0.721 0.000 2.281 608 K HA 0.554 4.876 4.320 0.003 0.000 0.272 608 K C -1.459 174.825 176.600 -0.527 0.000 1.048 608 K CA -0.247 55.733 56.287 -0.512 0.000 0.898 608 K CB 0.645 32.998 32.500 -0.245 0.000 1.128 608 K HN 0.451 nan 8.250 nan 0.000 0.460 609 Y N 1.181 121.449 120.300 -0.053 0.000 2.534 609 Y HA 0.326 4.878 4.550 0.002 0.000 0.329 609 Y C 1.275 177.146 175.900 -0.049 0.000 1.154 609 Y CA -1.034 57.033 58.100 -0.055 0.000 1.192 609 Y CB 1.626 40.046 38.460 -0.068 0.000 1.275 609 Y HN 0.435 nan 8.280 nan 0.000 0.491 610 R N 0.069 120.646 120.500 0.129 0.000 2.153 610 R HA 0.069 4.411 4.340 0.003 0.000 0.218 610 R C -0.306 176.007 176.300 0.022 0.000 1.072 610 R CA 0.268 56.395 56.100 0.046 0.000 0.990 610 R CB -0.070 30.243 30.300 0.023 0.000 0.889 610 R HN 0.271 nan 8.270 nan 0.000 0.452 611 V N 3.655 123.579 119.914 0.017 0.000 2.508 611 V HA 0.137 4.259 4.120 0.003 0.000 0.281 611 V C -2.047 174.054 176.094 0.012 0.000 1.041 611 V CA -1.889 60.393 62.300 -0.030 0.000 1.016 611 V CB 0.798 32.561 31.823 -0.100 0.000 0.984 611 V HN 0.015 nan 8.190 nan 0.000 0.478 612 P HA 0.137 nan 4.420 nan 0.000 0.269 612 P C 0.615 177.917 177.300 0.003 0.000 1.209 612 P CA -0.012 63.095 63.100 0.011 0.000 0.776 612 P CB 0.760 32.462 31.700 0.004 0.000 0.876 613 A N 3.303 126.134 122.820 0.017 0.000 1.969 613 A HA -0.180 4.142 4.320 0.003 0.000 0.218 613 A C 1.849 179.415 177.584 -0.029 0.000 1.169 613 A CA 1.355 53.400 52.037 0.012 0.000 0.635 613 A CB -0.911 18.106 19.000 0.028 0.000 0.810 613 A HN 0.682 nan 8.150 nan 0.000 0.445 614 E N 0.426 120.597 120.200 -0.047 0.000 2.153 614 E HA -0.121 4.231 4.350 0.003 0.000 0.194 614 E C 1.805 178.341 176.600 -0.107 0.000 0.988 614 E CA 1.584 57.923 56.400 -0.101 0.000 0.811 614 E CB -0.928 28.695 29.700 -0.128 0.000 0.746 614 E HN 0.335 nan 8.360 nan 0.000 0.466 615 V N 1.788 121.655 119.914 -0.078 0.000 2.427 615 V HA -0.204 3.918 4.120 0.003 0.000 0.248 615 V C 2.618 178.662 176.094 -0.084 0.000 1.051 615 V CA 1.333 63.583 62.300 -0.082 0.000 1.048 615 V CB -0.511 31.267 31.823 -0.076 0.000 0.666 615 V HN 0.200 nan 8.190 nan 0.000 0.456 616 L N -0.801 120.378 121.223 -0.074 0.000 2.156 616 L HA -0.125 4.217 4.340 0.003 0.000 0.208 616 L C 2.394 179.235 176.870 -0.049 0.000 1.095 616 L CA 0.944 55.742 54.840 -0.070 0.000 0.770 616 L CB -0.491 41.532 42.059 -0.061 0.000 0.914 616 L HN 0.350 nan 8.230 nan 0.000 0.439 617 L N -0.369 120.811 121.223 -0.072 0.000 1.994 617 L HA -0.154 4.188 4.340 0.003 0.000 0.208 617 L C 2.379 179.215 176.870 -0.057 0.000 1.071 617 L CA 1.694 56.467 54.840 -0.111 0.000 0.745 617 L CB -0.381 41.569 42.059 -0.180 0.000 0.892 617 L HN -0.102 nan 8.230 nan 0.000 0.431 618 V N 0.124 119.995 119.914 -0.072 0.000 2.407 618 V HA -0.310 3.812 4.120 0.003 0.000 0.248 618 V C 2.338 178.427 176.094 -0.008 0.000 1.055 618 V CA 1.940 64.213 62.300 -0.045 0.000 1.049 618 V CB -0.872 30.894 31.823 -0.094 0.000 0.662 618 V HN 0.619 nan 8.190 nan 0.000 0.455 619 D N 0.284 120.669 120.400 -0.026 0.000 2.104 619 D HA -0.255 4.387 4.640 0.003 0.000 0.194 619 D C 2.123 178.440 176.300 0.028 0.000 0.994 619 D CA 1.734 55.720 54.000 -0.023 0.000 0.830 619 D CB -0.117 40.646 40.800 -0.061 0.000 0.959 619 D HN 0.286 nan 8.370 nan 0.000 0.452 620 K N 0.263 120.710 120.400 0.078 0.000 2.057 620 K HA 0.025 4.347 4.320 0.003 0.000 0.207 620 K C 1.884 178.640 176.600 0.260 0.000 1.049 620 K CA 1.494 57.887 56.287 0.176 0.000 0.931 620 K CB -0.742 31.920 32.500 0.271 0.000 0.714 620 K HN 0.144 nan 8.250 nan 0.000 0.440 621 A N 0.845 123.854 122.820 0.316 0.000 1.883 621 A HA -0.242 4.080 4.320 0.003 0.000 0.217 621 A C 2.248 179.931 177.584 0.165 0.000 1.186 621 A CA 1.858 54.089 52.037 0.323 0.000 0.624 621 A CB -0.755 18.428 19.000 0.305 0.000 0.822 621 A HN 0.501 nan 8.150 nan 0.000 0.444 622 Q N -0.167 119.691 119.800 0.097 0.000 2.084 622 Q HA -0.111 4.231 4.340 0.003 0.000 0.202 622 Q C 2.088 178.124 176.000 0.060 0.000 0.978 622 Q CA 1.545 57.382 55.803 0.056 0.000 0.844 622 Q CB -0.301 28.447 28.738 0.017 0.000 0.898 622 Q HN 0.722 nan 8.270 nan 0.000 0.426 623 L N 0.302 121.556 121.223 0.052 0.000 2.131 623 L HA -0.161 4.181 4.340 0.003 0.000 0.210 623 L C 2.294 179.213 176.870 0.082 0.000 1.092 623 L CA 0.678 55.534 54.840 0.026 0.000 0.759 623 L CB -0.279 41.776 42.059 -0.006 0.000 0.903 623 L HN 0.192 nan 8.230 nan 0.000 0.435 624 L N -0.309 120.984 121.223 0.117 0.000 2.599 624 L HA -0.024 4.317 4.340 0.003 0.000 0.230 624 L C 1.208 178.154 176.870 0.126 0.000 1.141 624 L CA 0.757 55.678 54.840 0.135 0.000 0.877 624 L CB -0.548 41.546 42.059 0.060 0.000 1.009 624 L HN 0.567 nan 8.230 nan 0.000 0.447 625 T N -3.370 111.258 114.554 0.124 0.000 4.595 625 T HA -0.222 4.130 4.350 0.003 0.000 0.311 625 T C -0.018 174.732 174.700 0.084 0.000 1.052 625 T CA 0.430 62.594 62.100 0.107 0.000 2.205 625 T CB -2.651 66.290 68.868 0.121 0.000 1.872 625 T HN 0.173 nan 8.240 nan 0.000 0.961 626 L N 2.098 123.377 121.223 0.093 0.000 2.312 626 L HA 0.645 4.987 4.340 0.003 0.000 0.281 626 L C 1.354 178.293 176.870 0.115 0.000 1.070 626 L CA -0.467 54.435 54.840 0.104 0.000 0.805 626 L CB 1.427 43.567 42.059 0.135 0.000 1.174 626 L HN 0.563 nan 8.230 nan 0.000 0.434 627 S N 1.659 117.448 115.700 0.147 0.000 2.655 627 S HA 0.389 4.861 4.470 0.003 0.000 0.265 627 S C 1.086 175.833 174.600 0.244 0.000 1.240 627 S CA -0.140 58.190 58.200 0.216 0.000 0.986 627 S CB 1.463 64.841 63.200 0.296 0.000 0.985 627 S HN 0.682 nan 8.310 nan 0.000 0.562 628 A N 0.851 123.915 122.820 0.406 0.000 1.902 628 A HA 0.113 4.435 4.320 0.003 0.000 0.217 628 A C -0.393 177.382 177.584 0.319 0.000 1.181 628 A CA 1.341 53.576 52.037 0.330 0.000 0.623 628 A CB -2.154 17.071 19.000 0.375 0.000 0.818 628 A HN 0.715 nan 8.150 nan 0.000 0.443 629 P HA -0.152 nan 4.420 nan 0.000 0.215 629 P C 1.165 178.606 177.300 0.236 0.000 1.153 629 P CA 1.509 64.778 63.100 0.282 0.000 0.853 629 P CB -0.077 31.759 31.700 0.226 0.000 0.788 630 E N -0.923 119.392 120.200 0.192 0.000 2.077 630 E HA -0.189 4.163 4.350 0.003 0.000 0.193 630 E C 2.019 178.714 176.600 0.158 0.000 0.989 630 E CA 1.064 57.540 56.400 0.126 0.000 0.800 630 E CB -0.552 29.207 29.700 0.097 0.000 0.746 630 E HN 0.213 nan 8.360 nan 0.000 0.452 631 M N 0.774 120.527 119.600 0.255 0.000 2.080 631 M HA -0.189 4.293 4.480 0.003 0.000 0.260 631 M C 2.008 178.533 176.300 0.375 0.000 1.068 631 M CA 1.699 57.245 55.300 0.410 0.000 1.109 631 M CB -0.196 32.657 32.600 0.423 0.000 1.342 631 M HN 0.018 nan 8.290 nan 0.000 0.405 632 T N 0.764 115.524 114.554 0.344 0.000 2.622 632 T HA -0.147 4.205 4.350 0.003 0.000 0.266 632 T C 1.781 176.567 174.700 0.142 0.000 1.047 632 T CA 2.003 64.265 62.100 0.270 0.000 1.159 632 T CB -0.641 68.471 68.868 0.406 0.000 0.863 632 T HN 0.323 nan 8.240 nan 0.000 0.422 633 V N 1.546 121.468 119.914 0.012 0.000 2.295 633 V HA -0.115 4.007 4.120 0.003 0.000 0.246 633 V C 2.430 178.635 176.094 0.185 0.000 1.049 633 V CA 1.370 63.612 62.300 -0.097 0.000 1.024 633 V CB -0.830 30.781 31.823 -0.352 0.000 0.648 633 V HN 0.285 nan 8.190 nan 0.000 0.447 634 L N -0.268 121.033 121.223 0.130 0.000 2.017 634 L HA -0.143 4.199 4.340 0.003 0.000 0.208 634 L C 2.235 179.212 176.870 0.179 0.000 1.073 634 L CA 1.861 56.794 54.840 0.154 0.000 0.745 634 L CB -0.568 41.483 42.059 -0.013 0.000 0.894 634 L HN 0.286 nan 8.230 nan 0.000 0.432 635 L N -0.980 120.300 121.223 0.095 0.000 2.017 635 L HA -0.068 4.274 4.340 0.003 0.000 0.208 635 L C 2.346 178.876 176.870 -0.567 0.000 1.073 635 L CA 1.721 56.458 54.840 -0.171 0.000 0.745 635 L CB -1.023 40.838 42.059 -0.329 0.000 0.894 635 L HN 0.382 nan 8.230 nan 0.000 0.432 636 G N -0.867 107.530 108.800 -0.672 0.000 2.469 636 G HA2 -0.285 3.677 3.960 0.003 0.000 0.219 636 G HA3 -0.285 3.677 3.960 0.003 0.000 0.219 636 G C 1.430 176.080 174.900 -0.418 0.000 1.150 636 G CA 0.744 45.268 45.100 -0.960 0.000 0.763 636 G HN 0.578 nan 8.290 nan 0.000 0.561 637 G N 0.780 109.574 108.800 -0.009 0.000 2.414 637 G HA2 -0.121 3.841 3.960 0.003 0.000 0.215 637 G HA3 -0.121 3.841 3.960 0.003 0.000 0.215 637 G C 1.834 176.532 174.900 -0.335 0.000 1.188 637 G CA 0.746 45.704 45.100 -0.236 0.000 0.783 637 G HN 0.414 nan 8.290 nan 0.000 0.537 638 L N -0.053 121.077 121.223 -0.155 0.000 2.042 638 L HA -0.112 4.230 4.340 0.003 0.000 0.210 638 L C 3.217 179.940 176.870 -0.245 0.000 1.076 638 L CA 0.912 55.645 54.840 -0.178 0.000 0.749 638 L CB -0.351 41.576 42.059 -0.219 0.000 0.893 638 L HN 0.075 nan 8.230 nan 0.000 0.432 639 R N 0.059 120.353 120.500 -0.344 0.000 2.083 639 R HA -0.151 4.191 4.340 0.003 0.000 0.237 639 R C 2.192 178.347 176.300 -0.241 0.000 1.137 639 R CA 1.923 57.820 56.100 -0.337 0.000 0.951 639 R CB -1.075 28.909 30.300 -0.526 0.000 0.851 639 R HN 0.479 nan 8.270 nan 0.000 0.434 640 V N -1.589 118.177 119.914 -0.248 0.000 3.217 640 V HA 0.032 4.154 4.120 0.003 0.000 0.264 640 V C 1.930 177.930 176.094 -0.157 0.000 1.135 640 V CA 1.060 63.253 62.300 -0.179 0.000 1.142 640 V CB -0.486 31.231 31.823 -0.177 0.000 0.754 640 V HN 0.097 nan 8.190 nan 0.000 0.484 641 L N 1.381 122.491 121.223 -0.189 0.000 2.591 641 L HA 0.500 4.842 4.340 0.003 0.000 0.228 641 L C 1.715 178.521 176.870 -0.107 0.000 1.133 641 L CA 0.716 55.458 54.840 -0.164 0.000 0.880 641 L CB -0.398 41.528 42.059 -0.221 0.000 1.033 641 L HN 0.602 nan 8.230 nan 0.000 0.450 642 G N 0.188 108.930 108.800 -0.096 0.000 2.165 642 G HA2 -0.240 3.722 3.960 0.003 0.000 0.226 642 G HA3 -0.240 3.722 3.960 0.003 0.000 0.226 642 G C 0.678 175.556 174.900 -0.037 0.000 1.035 642 G CA 0.162 45.228 45.100 -0.056 0.000 0.744 642 G HN 0.380 nan 8.290 nan 0.000 0.501 643 A N -0.568 122.218 122.820 -0.057 0.000 2.251 643 A HA 0.347 4.669 4.320 0.003 0.000 0.209 643 A C 1.143 178.724 177.584 -0.005 0.000 1.187 643 A CA 0.465 52.487 52.037 -0.025 0.000 0.823 643 A CB -0.076 18.877 19.000 -0.078 0.000 0.846 643 A HN 0.446 nan 8.150 nan 0.000 0.486 644 N N 0.562 119.252 118.700 -0.017 0.000 2.454 644 N HA 0.187 4.929 4.740 0.003 0.000 0.260 644 N C -0.079 175.461 175.510 0.049 0.000 1.218 644 N CA 0.184 53.245 53.050 0.018 0.000 0.904 644 N CB 0.706 39.196 38.487 0.004 0.000 1.065 644 N HN 0.047 nan 8.380 nan 0.000 0.462 645 V N 1.573 121.538 119.914 0.084 0.000 2.694 645 V HA 0.149 4.271 4.120 0.003 0.000 0.306 645 V C 1.587 177.730 176.094 0.081 0.000 1.054 645 V CA 0.976 63.322 62.300 0.077 0.000 1.161 645 V CB 0.328 32.204 31.823 0.088 0.000 0.916 645 V HN 0.978 nan 8.190 nan 0.000 0.490 646 G N 3.315 112.151 108.800 0.061 0.000 2.155 646 G HA2 -0.295 3.667 3.960 0.003 0.000 0.257 646 G HA3 -0.295 3.667 3.960 0.003 0.000 0.257 646 G C 0.404 175.320 174.900 0.026 0.000 0.983 646 G CA 0.325 45.455 45.100 0.050 0.000 0.676 646 G HN 0.879 nan 8.290 nan 0.000 0.528 647 Q N -1.471 118.342 119.800 0.022 0.000 2.461 647 Q HA -0.219 4.123 4.340 0.003 0.000 0.273 647 Q C 0.904 176.896 176.000 -0.013 0.000 1.163 647 Q CA 1.426 57.233 55.803 0.007 0.000 0.929 647 Q CB -2.024 26.720 28.738 0.009 0.000 1.334 647 Q HN 1.478 nan 8.270 nan 0.000 0.499 648 S N 0.036 115.721 115.700 -0.026 0.000 2.558 648 S HA 0.054 4.526 4.470 0.003 0.000 0.293 648 S C 1.233 175.787 174.600 -0.077 0.000 1.292 648 S CA -0.142 57.999 58.200 -0.098 0.000 1.063 648 S CB 0.559 63.699 63.200 -0.100 0.000 0.831 648 S HN 0.208 nan 8.310 nan 0.000 0.499 649 R N 2.694 123.133 120.500 -0.101 0.000 2.313 649 R HA 0.096 4.438 4.340 0.003 0.000 0.199 649 R C 0.134 176.506 176.300 0.119 0.000 0.958 649 R CA 0.289 56.406 56.100 0.027 0.000 1.047 649 R CB -1.095 29.261 30.300 0.094 0.000 0.955 649 R HN 0.739 nan 8.270 nan 0.000 0.481 650 H N 0.068 119.196 119.070 0.097 0.000 3.004 650 H HA 0.128 4.686 4.556 0.004 0.000 0.316 650 H C 1.230 176.519 175.328 -0.065 0.000 1.014 650 H CA 0.381 56.489 56.048 0.100 0.000 1.454 650 H CB 0.488 30.317 29.762 0.112 0.000 1.472 650 H HN 0.377 nan 8.280 nan 0.000 0.571 651 G N 2.536 111.275 108.800 -0.102 0.000 2.189 651 G HA2 -0.321 3.641 3.960 0.003 0.000 0.267 651 G HA3 -0.321 3.641 3.960 0.003 0.000 0.267 651 G C 0.432 174.763 174.900 -0.949 0.000 0.975 651 G CA 0.377 44.984 45.100 -0.822 0.000 0.644 651 G HN 0.530 nan 8.290 nan 0.000 0.537 652 V N 1.821 121.489 119.914 -0.409 0.000 2.071 652 V HA 0.310 4.432 4.120 0.003 0.000 0.254 652 V C 0.681 176.696 176.094 -0.132 0.000 1.456 652 V CA -0.052 62.120 62.300 -0.214 0.000 1.383 652 V CB -0.835 30.967 31.823 -0.036 0.000 1.433 652 V HN 0.340 nan 8.190 nan 0.000 0.499 653 F N 1.984 121.719 119.950 -0.357 0.000 2.640 653 F HA 0.388 4.918 4.527 0.004 0.000 0.354 653 F C 0.910 176.299 175.800 -0.684 0.000 1.213 653 F CA -0.157 57.202 58.000 -1.069 0.000 1.314 653 F CB 0.308 38.603 39.000 -1.174 0.000 1.679 653 F HN 0.384 nan 8.300 nan 0.000 0.622 654 T N -0.220 114.285 114.554 -0.082 0.000 2.885 654 T HA 0.562 4.914 4.350 0.003 0.000 0.322 654 T C -0.032 174.826 174.700 0.263 0.000 1.387 654 T CA -0.215 61.944 62.100 0.098 0.000 1.041 654 T CB 1.706 70.579 68.868 0.008 0.000 1.287 654 T HN 0.229 nan 8.240 nan 0.000 0.491 655 A N 2.820 125.772 122.820 0.220 0.000 2.387 655 A HA 0.346 4.668 4.320 0.003 0.000 0.234 655 A C 0.861 178.499 177.584 0.091 0.000 1.253 655 A CA -0.245 51.890 52.037 0.164 0.000 0.894 655 A CB -0.057 19.026 19.000 0.137 0.000 0.963 655 A HN 0.668 nan 8.150 nan 0.000 0.508 656 R N 0.526 121.066 120.500 0.068 0.000 2.738 656 R HA 0.360 4.702 4.340 0.003 0.000 0.280 656 R C -0.588 175.719 176.300 0.012 0.000 1.456 656 R CA -0.414 55.707 56.100 0.035 0.000 1.612 656 R CB 0.018 30.335 30.300 0.029 0.000 1.286 656 R HN 0.359 nan 8.270 nan 0.000 0.660 657 E N 1.932 122.141 120.200 0.016 0.000 2.437 657 E HA -0.115 4.237 4.350 0.003 0.000 0.263 657 E C -0.230 176.355 176.600 -0.025 0.000 1.030 657 E CA 0.625 57.019 56.400 -0.009 0.000 0.934 657 E CB 0.465 30.168 29.700 0.004 0.000 0.943 657 E HN 0.492 nan 8.360 nan 0.000 0.444 658 Q N -1.282 118.487 119.800 -0.052 0.000 2.424 658 Q HA -0.251 4.091 4.340 0.003 0.000 0.234 658 Q C -0.995 174.969 176.000 -0.059 0.000 0.748 658 Q CA 0.667 56.434 55.803 -0.061 0.000 1.286 658 Q CB -1.681 27.032 28.738 -0.041 0.000 1.494 658 Q HN 0.492 nan 8.270 nan 0.000 0.683 659 A N 0.822 123.610 122.820 -0.052 0.000 2.304 659 A HA 0.633 4.955 4.320 0.003 0.000 0.323 659 A C -0.418 177.127 177.584 -0.064 0.000 1.195 659 A CA -0.558 51.456 52.037 -0.038 0.000 0.826 659 A CB 0.938 19.935 19.000 -0.005 0.000 1.184 659 A HN 0.184 nan 8.150 nan 0.000 0.496 660 L N 3.931 125.115 121.223 -0.065 0.000 2.334 660 L HA 0.482 4.824 4.340 0.003 0.000 0.286 660 L C 0.542 177.440 176.870 0.046 0.000 1.108 660 L CA 0.831 55.624 54.840 -0.077 0.000 0.875 660 L CB -0.180 41.779 42.059 -0.167 0.000 1.246 660 L HN 0.848 nan 8.230 nan 0.000 0.439 661 T N 0.214 114.766 114.554 -0.003 0.000 2.865 661 T HA 0.381 4.733 4.350 0.003 0.000 0.294 661 T C 0.521 174.899 174.700 -0.537 0.000 1.119 661 T CA -0.556 61.491 62.100 -0.088 0.000 1.007 661 T CB 1.215 70.054 68.868 -0.050 0.000 1.225 661 T HN 0.478 nan 8.240 nan 0.000 0.515 662 N N 0.077 118.412 118.700 -0.608 0.000 2.362 662 N HA 0.041 4.783 4.740 0.003 0.000 0.211 662 N C 0.271 175.662 175.510 -0.199 0.000 1.170 662 N CA -0.062 52.595 53.050 -0.655 0.000 0.828 662 N CB -0.373 37.932 38.487 -0.303 0.000 1.034 662 N HN 0.553 nan 8.380 nan 0.000 0.475 663 D N 0.537 120.824 120.400 -0.188 0.000 2.182 663 D HA -0.170 4.472 4.640 0.003 0.000 0.201 663 D C 1.207 177.424 176.300 -0.138 0.000 0.986 663 D CA 0.680 54.617 54.000 -0.106 0.000 0.847 663 D CB -0.350 40.404 40.800 -0.077 0.000 0.942 663 D HN 0.379 nan 8.370 nan 0.000 0.467 664 F N 0.250 119.956 119.950 -0.407 0.000 2.126 664 F HA -0.233 4.296 4.527 0.004 0.000 0.299 664 F C 1.844 177.391 175.800 -0.421 0.000 1.096 664 F CA 1.461 59.159 58.000 -0.504 0.000 1.255 664 F CB -0.353 38.122 39.000 -0.875 0.000 0.997 664 F HN -0.100 nan 8.300 nan 0.000 0.479 665 F N -0.682 119.241 119.950 -0.045 0.000 2.187 665 F HA -0.100 4.429 4.527 0.003 0.000 0.295 665 F C 2.304 178.041 175.800 -0.105 0.000 1.091 665 F CA 1.112 59.073 58.000 -0.065 0.000 1.308 665 F CB -1.092 37.948 39.000 0.066 0.000 1.030 665 F HN -0.249 nan 8.300 nan 0.000 0.487 666 V N 0.477 120.441 119.914 0.083 0.000 2.295 666 V HA -0.282 3.840 4.120 0.003 0.000 0.246 666 V C 2.095 178.170 176.094 -0.032 0.000 1.049 666 V CA 1.961 64.282 62.300 0.035 0.000 1.024 666 V CB -0.607 31.237 31.823 0.035 0.000 0.648 666 V HN 0.360 nan 8.190 nan 0.000 0.447 667 N N -0.062 118.566 118.700 -0.120 0.000 2.216 667 N HA -0.087 4.655 4.740 0.003 0.000 0.183 667 N C 1.749 177.065 175.510 -0.324 0.000 1.017 667 N CA 1.195 54.130 53.050 -0.192 0.000 0.861 667 N CB -0.360 37.900 38.487 -0.379 0.000 0.986 667 N HN 0.399 nan 8.380 nan 0.000 0.428 668 L N 1.379 122.331 121.223 -0.453 0.000 2.042 668 L HA -0.059 4.283 4.340 0.003 0.000 0.210 668 L C 1.686 178.450 176.870 -0.176 0.000 1.076 668 L CA 1.538 56.105 54.840 -0.455 0.000 0.749 668 L CB -0.502 41.215 42.059 -0.569 0.000 0.893 668 L HN 0.098 nan 8.230 nan 0.000 0.432 669 L N -0.390 120.782 121.223 -0.085 0.000 2.599 669 L HA 0.061 4.403 4.340 0.003 0.000 0.230 669 L C 0.215 177.098 176.870 0.021 0.000 1.141 669 L CA -0.225 54.611 54.840 -0.005 0.000 0.877 669 L CB -0.700 41.380 42.059 0.034 0.000 1.009 669 L HN 0.224 nan 8.230 nan 0.000 0.447 670 D N 0.783 121.199 120.400 0.025 0.000 2.346 670 D HA -0.036 4.606 4.640 0.003 0.000 0.260 670 D C 0.884 177.224 176.300 0.067 0.000 1.252 670 D CA 0.064 54.092 54.000 0.048 0.000 0.895 670 D CB 1.204 42.041 40.800 0.061 0.000 1.097 670 D HN -0.081 nan 8.370 nan 0.000 0.489 671 M N 3.352 122.979 119.600 0.045 0.000 2.562 671 M HA 0.167 4.649 4.480 0.003 0.000 0.257 671 M C 1.778 178.091 176.300 0.022 0.000 1.099 671 M CA 0.688 56.013 55.300 0.042 0.000 1.099 671 M CB -0.217 32.399 32.600 0.026 0.000 1.427 671 M HN 0.424 nan 8.290 nan 0.000 0.489 672 G N -0.730 108.076 108.800 0.011 0.000 2.625 672 G HA2 -0.063 3.899 3.960 0.003 0.000 0.214 672 G HA3 -0.063 3.899 3.960 0.003 0.000 0.214 672 G C 0.314 175.184 174.900 -0.050 0.000 1.132 672 G CA 0.653 45.743 45.100 -0.016 0.000 0.782 672 G HN 0.458 nan 8.290 nan 0.000 0.538 673 T N 0.060 114.588 114.554 -0.043 0.000 2.797 673 T HA 0.459 4.811 4.350 0.003 0.000 0.279 673 T C -0.705 173.896 174.700 -0.166 0.000 0.991 673 T CA -0.488 61.514 62.100 -0.163 0.000 0.979 673 T CB 2.521 71.280 68.868 -0.181 0.000 0.943 673 T HN 0.263 nan 8.240 nan 0.000 0.444 674 E N 2.282 122.330 120.200 -0.252 0.000 2.191 674 E HA 0.390 4.742 4.350 0.003 0.000 0.278 674 E C -1.328 175.093 176.600 -0.298 0.000 0.972 674 E CA -0.824 55.490 56.400 -0.143 0.000 0.804 674 E CB 0.966 30.623 29.700 -0.072 0.000 1.110 674 E HN 0.546 nan 8.360 nan 0.000 0.394 675 W N 3.463 124.773 121.300 0.017 0.000 2.573 675 W HA 0.480 5.142 4.660 0.003 0.000 0.326 675 W C -0.317 176.269 176.519 0.112 0.000 1.049 675 W CA -0.612 56.769 57.345 0.060 0.000 1.220 675 W CB 1.507 30.970 29.460 0.006 0.000 1.373 675 W HN 0.308 nan 8.180 nan 0.000 0.507 676 K N 3.271 123.904 120.400 0.389 0.000 2.502 676 K HA 0.417 4.739 4.320 0.003 0.000 0.257 676 K C -2.640 174.181 176.600 0.369 0.000 0.938 676 K CA -1.956 54.528 56.287 0.329 0.000 0.819 676 K CB 2.598 35.189 32.500 0.151 0.000 1.333 676 K HN 0.049 nan 8.250 nan 0.000 0.434 677 P HA -0.017 nan 4.420 nan 0.000 0.272 677 P C -0.381 176.852 177.300 -0.111 0.000 1.223 677 P CA -0.226 62.751 63.100 -0.205 0.000 0.784 677 P CB 0.480 32.003 31.700 -0.295 0.000 0.923 678 T N -1.414 113.037 114.554 -0.173 0.000 2.868 678 T HA 0.377 4.729 4.350 0.003 0.000 0.292 678 T C 1.486 176.139 174.700 -0.079 0.000 1.028 678 T CA -0.051 61.999 62.100 -0.083 0.000 1.059 678 T CB 0.567 69.395 68.868 -0.066 0.000 0.991 678 T HN 0.410 nan 8.240 nan 0.000 0.531 679 A N 1.749 124.543 122.820 -0.042 0.000 1.873 679 A HA 0.246 4.568 4.320 0.003 0.000 0.215 679 A C 2.670 180.232 177.584 -0.037 0.000 1.186 679 A CA 1.547 53.564 52.037 -0.033 0.000 0.616 679 A CB -1.532 17.457 19.000 -0.018 0.000 0.823 679 A HN 1.261 nan 8.150 nan 0.000 0.442 680 A N -1.529 121.272 122.820 -0.031 0.000 1.940 680 A HA -0.020 4.302 4.320 0.003 0.000 0.219 680 A C 0.855 178.413 177.584 -0.044 0.000 1.176 680 A CA 1.796 53.817 52.037 -0.027 0.000 0.631 680 A CB -0.131 18.861 19.000 -0.012 0.000 0.814 680 A HN 0.428 nan 8.150 nan 0.000 0.446 681 D N -2.852 117.505 120.400 -0.072 0.000 2.470 681 D HA 0.510 5.152 4.640 0.003 0.000 0.233 681 D C 0.275 176.463 176.300 -0.186 0.000 1.372 681 D CA 0.296 54.235 54.000 -0.101 0.000 0.994 681 D CB 1.253 42.006 40.800 -0.078 0.000 1.377 681 D HN 0.058 nan 8.370 nan 0.000 0.586 682 A N 2.864 125.578 122.820 -0.177 0.000 2.216 682 A HA -0.045 4.277 4.320 0.003 0.000 0.214 682 A C 1.083 178.432 177.584 -0.392 0.000 1.160 682 A CA 0.852 52.740 52.037 -0.248 0.000 0.725 682 A CB 0.153 19.078 19.000 -0.125 0.000 0.784 682 A HN 0.426 nan 8.150 nan 0.000 0.472 683 D N -1.007 119.210 120.400 -0.304 0.000 2.369 683 D HA 0.210 4.852 4.640 0.003 0.000 0.211 683 D C -0.139 176.009 176.300 -0.252 0.000 1.077 683 D CA 0.343 54.216 54.000 -0.212 0.000 0.842 683 D CB 0.722 41.481 40.800 -0.069 0.000 0.947 683 D HN 0.156 nan 8.370 nan 0.000 0.509 684 V N 1.144 120.813 119.914 -0.407 0.000 2.581 684 V HA 0.439 4.561 4.120 0.003 0.000 0.303 684 V C -0.561 175.256 176.094 -0.463 0.000 1.041 684 V CA -0.687 61.426 62.300 -0.311 0.000 0.907 684 V CB 1.721 33.417 31.823 -0.212 0.000 0.994 684 V HN -0.164 nan 8.190 nan 0.000 0.442 685 F N 1.372 121.352 119.950 0.051 0.000 2.563 685 F HA 0.590 5.119 4.527 0.003 0.000 0.316 685 F C 0.268 176.250 175.800 0.305 0.000 1.076 685 F CA -0.759 57.363 58.000 0.204 0.000 0.921 685 F CB 1.890 41.057 39.000 0.278 0.000 1.209 685 F HN 0.393 nan 8.300 nan 0.000 0.462 686 E N 0.569 121.017 120.200 0.414 0.000 2.171 686 E HA 0.556 4.908 4.350 0.003 0.000 0.271 686 E C -0.431 176.134 176.600 -0.057 0.000 0.916 686 E CA -0.816 55.697 56.400 0.189 0.000 0.774 686 E CB 2.070 31.810 29.700 0.067 0.000 1.128 686 E HN 0.791 nan 8.360 nan 0.000 0.403 687 G N 3.083 111.551 108.800 -0.554 0.000 2.415 687 G HA2 0.405 4.367 3.960 0.003 0.000 0.317 687 G HA3 0.405 4.367 3.960 0.003 0.000 0.317 687 G C -0.394 174.091 174.900 -0.693 0.000 1.152 687 G CA -0.496 43.785 45.100 -1.365 0.000 0.956 687 G HN 0.317 nan 8.290 nan 0.000 0.458 688 R N 1.934 122.126 120.500 -0.514 0.000 2.589 688 R HA 0.240 4.582 4.340 0.003 0.000 0.293 688 R C -0.525 175.608 176.300 -0.278 0.000 0.963 688 R CA -0.917 54.990 56.100 -0.322 0.000 0.905 688 R CB 1.952 32.130 30.300 -0.204 0.000 1.144 688 R HN 0.556 nan 8.270 nan 0.000 0.459 689 D N 2.014 122.278 120.400 -0.227 0.000 2.586 689 D HA -0.095 4.547 4.640 0.003 0.000 0.234 689 D C 0.691 176.917 176.300 -0.123 0.000 1.132 689 D CA 0.651 54.553 54.000 -0.163 0.000 0.860 689 D CB 0.779 41.493 40.800 -0.143 0.000 1.159 689 D HN 0.429 nan 8.370 nan 0.000 0.490 690 R N 2.820 123.260 120.500 -0.099 0.000 2.096 690 R HA -0.147 4.195 4.340 0.003 0.000 0.235 690 R C 1.936 178.202 176.300 -0.057 0.000 1.127 690 R CA 1.520 57.578 56.100 -0.070 0.000 0.968 690 R CB 0.008 30.278 30.300 -0.049 0.000 0.861 690 R HN 0.514 nan 8.270 nan 0.000 0.440 691 A N -0.150 122.636 122.820 -0.057 0.000 1.903 691 A HA -0.090 4.232 4.320 0.003 0.000 0.213 691 A C 2.093 179.648 177.584 -0.049 0.000 1.185 691 A CA 1.638 53.647 52.037 -0.046 0.000 0.628 691 A CB -0.251 18.724 19.000 -0.042 0.000 0.830 691 A HN 0.448 nan 8.150 nan 0.000 0.446 692 T N -5.835 108.682 114.554 -0.062 0.000 3.000 692 T HA 0.419 4.771 4.350 0.003 0.000 0.248 692 T C 1.478 176.137 174.700 -0.067 0.000 1.034 692 T CA 1.201 63.264 62.100 -0.062 0.000 1.060 692 T CB 0.339 69.166 68.868 -0.068 0.000 0.983 692 T HN 1.693 nan 8.240 nan 0.000 0.482 693 G N 1.428 110.179 108.800 -0.082 0.000 2.176 693 G HA2 -0.259 3.703 3.960 0.003 0.000 0.253 693 G HA3 -0.259 3.703 3.960 0.003 0.000 0.253 693 G C -0.152 174.687 174.900 -0.102 0.000 0.979 693 G CA 0.235 45.283 45.100 -0.086 0.000 0.641 693 G HN 0.864 nan 8.290 nan 0.000 0.530 694 E N 0.360 120.492 120.200 -0.114 0.000 2.415 694 E HA 0.334 4.686 4.350 0.003 0.000 0.263 694 E C 0.556 177.050 176.600 -0.177 0.000 0.995 694 E CA -0.787 55.534 56.400 -0.131 0.000 0.915 694 E CB 0.277 29.896 29.700 -0.134 0.000 0.951 694 E HN 0.309 nan 8.360 nan 0.000 0.449 695 L N 5.479 126.604 121.223 -0.164 0.000 2.513 695 L HA -0.006 4.336 4.340 0.003 0.000 0.272 695 L C 0.524 177.222 176.870 -0.288 0.000 1.187 695 L CA 1.032 55.756 54.840 -0.194 0.000 0.895 695 L CB 0.512 42.499 42.059 -0.121 0.000 1.147 695 L HN 0.630 nan 8.230 nan 0.000 0.483 696 K N 3.359 123.507 120.400 -0.420 0.000 2.286 696 K HA 0.232 4.554 4.320 0.003 0.000 0.203 696 K C -0.782 175.303 176.600 -0.858 0.000 1.078 696 K CA 0.579 56.404 56.287 -0.770 0.000 0.957 696 K CB 0.341 32.293 32.500 -0.913 0.000 1.018 696 K HN 0.586 nan 8.250 nan 0.000 0.484 697 W N 0.229 121.454 121.300 -0.124 0.000 3.075 697 W HA 0.289 4.951 4.660 0.003 0.000 0.334 697 W C -0.771 175.848 176.519 0.167 0.000 1.243 697 W CA -1.032 56.361 57.345 0.081 0.000 1.170 697 W CB 1.102 30.625 29.460 0.105 0.000 1.452 697 W HN -0.194 nan 8.180 nan 0.000 0.572 698 T N -0.744 114.228 114.554 0.697 0.000 2.907 698 T HA 0.943 5.295 4.350 0.003 0.000 0.292 698 T C -0.456 174.700 174.700 0.760 0.000 1.043 698 T CA -0.631 61.854 62.100 0.642 0.000 1.003 698 T CB 1.995 71.165 68.868 0.503 0.000 1.084 698 T HN 0.967 nan 8.240 nan 0.000 0.483 699 G N 0.446 109.575 108.800 0.549 0.000 2.684 699 G HA2 0.665 4.627 3.960 0.003 0.000 0.290 699 G HA3 0.665 4.627 3.960 0.003 0.000 0.290 699 G C -0.450 174.549 174.900 0.165 0.000 1.425 699 G CA -0.318 44.992 45.100 0.350 0.000 0.822 699 G HN 1.095 nan 8.290 nan 0.000 0.482 700 T N -2.222 112.405 114.554 0.122 0.000 2.910 700 T HA 0.401 4.753 4.350 0.003 0.000 0.279 700 T C 1.409 176.228 174.700 0.199 0.000 0.989 700 T CA -0.544 61.649 62.100 0.154 0.000 0.968 700 T CB 1.696 70.619 68.868 0.092 0.000 1.135 700 T HN 0.467 nan 8.240 nan 0.000 0.562 701 R N -0.376 120.260 120.500 0.227 0.000 2.105 701 R HA -0.056 4.286 4.340 0.003 0.000 0.239 701 R C 2.313 178.617 176.300 0.006 0.000 1.135 701 R CA 1.238 57.401 56.100 0.105 0.000 0.967 701 R CB -1.038 29.338 30.300 0.126 0.000 0.861 701 R HN 0.468 nan 8.270 nan 0.000 0.442 702 V N 1.688 121.624 119.914 0.037 0.000 2.407 702 V HA -0.231 3.891 4.120 0.003 0.000 0.248 702 V C 1.631 177.825 176.094 0.166 0.000 1.055 702 V CA 1.853 64.177 62.300 0.041 0.000 1.049 702 V CB -0.417 31.419 31.823 0.021 0.000 0.662 702 V HN 0.291 nan 8.190 nan 0.000 0.455 703 D N 0.241 120.728 120.400 0.146 0.000 2.084 703 D HA -0.106 4.536 4.640 0.003 0.000 0.194 703 D C 2.066 178.487 176.300 0.201 0.000 0.990 703 D CA 1.278 55.421 54.000 0.238 0.000 0.826 703 D CB -0.190 40.690 40.800 0.133 0.000 0.971 703 D HN 0.332 nan 8.370 nan 0.000 0.453 704 L N 0.770 121.947 121.223 -0.077 0.000 2.395 704 L HA -0.006 4.336 4.340 0.003 0.000 0.218 704 L C 2.456 179.197 176.870 -0.215 0.000 1.130 704 L CA 0.077 54.733 54.840 -0.307 0.000 0.826 704 L CB -0.095 41.571 42.059 -0.654 0.000 0.941 704 L HN -0.083 nan 8.230 nan 0.000 0.451 705 V N 0.015 119.836 119.914 -0.155 0.000 2.490 705 V HA -0.276 3.846 4.120 0.003 0.000 0.250 705 V C 2.163 178.124 176.094 -0.223 0.000 1.061 705 V CA 1.785 63.953 62.300 -0.220 0.000 1.064 705 V CB -0.366 31.277 31.823 -0.300 0.000 0.670 705 V HN 0.281 nan 8.190 nan 0.000 0.461 706 F N 0.797 120.753 119.950 0.010 0.000 2.451 706 F HA 0.090 4.618 4.527 0.003 0.000 0.299 706 F C 2.149 177.977 175.800 0.046 0.000 1.101 706 F CA 1.209 59.266 58.000 0.094 0.000 1.436 706 F CB -0.494 38.654 39.000 0.248 0.000 1.074 706 F HN 0.304 nan 8.300 nan 0.000 0.553 707 G N -2.196 106.640 108.800 0.061 0.000 3.126 707 G HA2 0.041 4.003 3.960 0.003 0.000 0.224 707 G HA3 0.041 4.003 3.960 0.003 0.000 0.224 707 G C 1.386 176.236 174.900 -0.083 0.000 1.142 707 G CA 0.709 45.784 45.100 -0.042 0.000 0.759 707 G HN 0.330 nan 8.290 nan 0.000 0.550 708 S N -0.886 114.761 115.700 -0.087 0.000 2.891 708 S HA 0.119 4.591 4.470 0.003 0.000 0.247 708 S C 0.760 175.316 174.600 -0.073 0.000 1.063 708 S CA -0.345 57.791 58.200 -0.106 0.000 0.857 708 S CB -0.281 62.830 63.200 -0.148 0.000 0.800 708 S HN 0.321 nan 8.310 nan 0.000 0.540 709 H N 2.651 121.638 119.070 -0.139 0.000 2.886 709 H HA 0.185 4.743 4.556 0.004 0.000 0.329 709 H C 1.454 176.728 175.328 -0.088 0.000 1.044 709 H CA 0.996 56.968 56.048 -0.127 0.000 1.456 709 H CB 1.343 31.015 29.762 -0.149 0.000 1.464 709 H HN 0.510 nan 8.280 nan 0.000 0.573 710 S N 2.837 118.347 115.700 -0.316 0.000 2.402 710 S HA -0.188 4.284 4.470 0.003 0.000 0.229 710 S C 1.852 176.457 174.600 0.009 0.000 1.021 710 S CA 1.132 59.243 58.200 -0.148 0.000 0.974 710 S CB -0.027 63.041 63.200 -0.221 0.000 0.800 710 S HN 0.778 nan 8.310 nan 0.000 0.484 711 Q N 0.712 120.598 119.800 0.142 0.000 2.096 711 Q HA 0.153 4.495 4.340 0.003 0.000 0.197 711 Q C 2.172 178.313 176.000 0.235 0.000 0.964 711 Q CA 0.787 56.722 55.803 0.222 0.000 0.838 711 Q CB -0.173 28.747 28.738 0.304 0.000 0.906 711 Q HN 0.570 nan 8.270 nan 0.000 0.444 712 L N 0.248 121.651 121.223 0.300 0.000 2.093 712 L HA -0.152 4.190 4.340 0.003 0.000 0.208 712 L C 2.733 179.748 176.870 0.242 0.000 1.085 712 L CA 1.196 56.147 54.840 0.184 0.000 0.755 712 L CB -0.418 41.606 42.059 -0.059 0.000 0.904 712 L HN 0.240 nan 8.230 nan 0.000 0.435 713 R N 0.318 120.928 120.500 0.183 0.000 2.120 713 R HA -0.158 4.184 4.340 0.003 0.000 0.234 713 R C 2.291 178.667 176.300 0.128 0.000 1.123 713 R CA 1.228 57.421 56.100 0.156 0.000 0.975 713 R CB -0.138 30.208 30.300 0.078 0.000 0.866 713 R HN 0.339 nan 8.270 nan 0.000 0.446 714 A N 0.917 123.798 122.820 0.102 0.000 1.933 714 A HA -0.119 4.203 4.320 0.003 0.000 0.218 714 A C 2.109 179.731 177.584 0.062 0.000 1.175 714 A CA 1.100 53.174 52.037 0.062 0.000 0.628 714 A CB -0.391 18.637 19.000 0.047 0.000 0.814 714 A HN 0.324 nan 8.150 nan 0.000 0.444 715 L N -0.989 120.307 121.223 0.122 0.000 2.072 715 L HA -0.125 4.217 4.340 0.003 0.000 0.205 715 L C 3.099 180.056 176.870 0.146 0.000 1.079 715 L CA 0.945 55.869 54.840 0.140 0.000 0.752 715 L CB -0.651 41.557 42.059 0.248 0.000 0.906 715 L HN 0.412 nan 8.230 nan 0.000 0.436 716 A N 0.201 123.162 122.820 0.236 0.000 1.908 716 A HA -0.242 4.080 4.320 0.003 0.000 0.218 716 A C 2.156 179.801 177.584 0.103 0.000 1.181 716 A CA 1.806 53.997 52.037 0.256 0.000 0.627 716 A CB -0.478 18.806 19.000 0.475 0.000 0.818 716 A HN 0.456 nan 8.150 nan 0.000 0.445 717 E N -0.439 119.807 120.200 0.076 0.000 2.085 717 E HA -0.143 4.209 4.350 0.003 0.000 0.194 717 E C 1.982 178.552 176.600 -0.051 0.000 0.994 717 E CA 1.325 57.739 56.400 0.024 0.000 0.801 717 E CB -0.327 29.383 29.700 0.017 0.000 0.743 717 E HN 0.406 nan 8.360 nan 0.000 0.453 718 V N 0.403 120.235 119.914 -0.137 0.000 2.282 718 V HA -0.288 3.834 4.120 0.003 0.000 0.249 718 V C 1.795 177.685 176.094 -0.341 0.000 1.057 718 V CA 1.921 64.050 62.300 -0.285 0.000 1.032 718 V CB -0.588 30.962 31.823 -0.456 0.000 0.645 718 V HN 0.340 nan 8.190 nan 0.000 0.447 719 Y N 0.270 120.443 120.300 -0.212 0.000 2.519 719 Y HA 0.167 4.720 4.550 0.004 0.000 0.287 719 Y C 2.283 178.079 175.900 -0.172 0.000 1.128 719 Y CA 0.641 58.563 58.100 -0.296 0.000 1.282 719 Y CB -0.147 37.837 38.460 -0.793 0.000 1.027 719 Y HN 0.316 nan 8.280 nan 0.000 0.551 720 G N -0.973 107.855 108.800 0.047 0.000 3.189 720 G HA2 0.059 4.021 3.960 0.003 0.000 0.225 720 G HA3 0.059 4.021 3.960 0.003 0.000 0.225 720 G C 0.216 175.156 174.900 0.067 0.000 1.159 720 G CA -0.161 45.017 45.100 0.129 0.000 0.763 720 G HN 0.053 nan 8.290 nan 0.000 0.549 721 S N -0.177 115.541 115.700 0.030 0.000 2.617 721 S HA 0.462 4.934 4.470 0.003 0.000 0.269 721 S C 1.673 176.293 174.600 0.033 0.000 1.292 721 S CA 0.022 58.233 58.200 0.018 0.000 1.010 721 S CB 1.650 64.844 63.200 -0.011 0.000 0.944 721 S HN 0.338 nan 8.310 nan 0.000 0.536 722 A N 1.462 124.299 122.820 0.029 0.000 2.070 722 A HA -0.122 4.200 4.320 0.003 0.000 0.220 722 A C 1.446 179.055 177.584 0.041 0.000 1.159 722 A CA 1.621 53.679 52.037 0.035 0.000 0.656 722 A CB -0.498 18.518 19.000 0.026 0.000 0.800 722 A HN 0.849 nan 8.150 nan 0.000 0.453 723 D N -1.258 119.162 120.400 0.033 0.000 2.342 723 D HA 0.375 5.017 4.640 0.003 0.000 0.221 723 D C 0.832 177.164 176.300 0.054 0.000 1.101 723 D CA 0.701 54.724 54.000 0.038 0.000 0.837 723 D CB -0.017 40.795 40.800 0.020 0.000 0.938 723 D HN 0.272 nan 8.370 nan 0.000 0.508 724 A N -0.178 122.686 122.820 0.072 0.000 2.431 724 A HA 0.125 4.447 4.320 0.003 0.000 0.239 724 A C 1.878 179.578 177.584 0.193 0.000 1.230 724 A CA -0.016 52.083 52.037 0.103 0.000 0.928 724 A CB 0.058 19.099 19.000 0.068 0.000 1.006 724 A HN 0.112 nan 8.150 nan 0.000 0.520 725 Q N 0.599 120.505 119.800 0.176 0.000 2.050 725 Q HA -0.172 4.170 4.340 0.003 0.000 0.202 725 Q C 1.822 177.962 176.000 0.233 0.000 0.980 725 Q CA 2.103 58.039 55.803 0.222 0.000 0.840 725 Q CB -0.100 28.765 28.738 0.211 0.000 0.898 725 Q HN 0.570 nan 8.270 nan 0.000 0.424 726 E N 0.086 120.414 120.200 0.212 0.000 2.072 726 E HA -0.174 4.178 4.350 0.003 0.000 0.191 726 E C 1.800 178.472 176.600 0.120 0.000 0.985 726 E CA 1.013 57.514 56.400 0.168 0.000 0.801 726 E CB -0.103 29.707 29.700 0.184 0.000 0.750 726 E HN 0.389 nan 8.360 nan 0.000 0.452 727 K N 0.148 120.640 120.400 0.153 0.000 2.026 727 K HA -0.181 4.141 4.320 0.003 0.000 0.208 727 K C 2.181 178.920 176.600 0.232 0.000 1.048 727 K CA 1.225 57.610 56.287 0.163 0.000 0.929 727 K CB -0.374 32.210 32.500 0.141 0.000 0.713 727 K HN 0.010 nan 8.250 nan 0.000 0.439 728 F N 1.542 121.615 119.950 0.204 0.000 2.065 728 F HA -0.265 4.264 4.527 0.003 0.000 0.298 728 F C 1.836 177.676 175.800 0.067 0.000 1.112 728 F CA 1.732 59.829 58.000 0.161 0.000 1.212 728 F CB -0.667 38.413 39.000 0.134 0.000 0.975 728 F HN -0.166 nan 8.300 nan 0.000 0.476 729 V N 1.289 121.112 119.914 -0.151 0.000 2.287 729 V HA -0.310 3.812 4.120 0.003 0.000 0.248 729 V C 2.678 178.662 176.094 -0.184 0.000 1.053 729 V CA 2.253 64.383 62.300 -0.284 0.000 1.027 729 V CB -0.678 30.951 31.823 -0.323 0.000 0.646 729 V HN 0.307 nan 8.190 nan 0.000 0.447 730 R N -0.059 120.390 120.500 -0.085 0.000 2.073 730 R HA -0.083 4.259 4.340 0.003 0.000 0.229 730 R C 1.967 178.244 176.300 -0.038 0.000 1.120 730 R CA 1.346 57.426 56.100 -0.032 0.000 0.967 730 R CB -0.950 29.358 30.300 0.013 0.000 0.862 730 R HN 0.512 nan 8.270 nan 0.000 0.436 731 D N 0.386 120.764 120.400 -0.037 0.000 2.144 731 D HA -0.150 4.492 4.640 0.003 0.000 0.199 731 D C 1.638 177.854 176.300 -0.139 0.000 0.984 731 D CA 0.789 54.766 54.000 -0.038 0.000 0.834 731 D CB -0.357 40.482 40.800 0.064 0.000 0.955 731 D HN 0.097 nan 8.370 nan 0.000 0.465 732 F N 1.298 121.007 119.950 -0.402 0.000 2.075 732 F HA -0.221 4.307 4.527 0.002 0.000 0.297 732 F C 2.213 177.920 175.800 -0.156 0.000 1.113 732 F CA 1.091 58.853 58.000 -0.396 0.000 1.218 732 F CB -0.294 38.273 39.000 -0.722 0.000 0.984 732 F HN -0.210 nan 8.300 nan 0.000 0.472 733 V N 0.611 120.497 119.914 -0.046 0.000 2.392 733 V HA -0.345 3.777 4.120 0.003 0.000 0.249 733 V C 2.704 178.780 176.094 -0.030 0.000 1.059 733 V CA 1.820 64.116 62.300 -0.007 0.000 1.051 733 V CB -1.593 30.249 31.823 0.033 0.000 0.658 733 V HN 0.518 nan 8.190 nan 0.000 0.455 734 A N -0.589 122.194 122.820 -0.062 0.000 1.898 734 A HA -0.169 4.153 4.320 0.003 0.000 0.216 734 A C 2.461 179.990 177.584 -0.091 0.000 1.181 734 A CA 2.043 54.049 52.037 -0.051 0.000 0.620 734 A CB -0.716 18.263 19.000 -0.034 0.000 0.819 734 A HN 0.364 nan 8.150 nan 0.000 0.442 735 V N -0.661 119.160 119.914 -0.155 0.000 2.453 735 V HA -0.167 3.955 4.120 0.003 0.000 0.247 735 V C 2.029 178.000 176.094 -0.206 0.000 1.048 735 V CA 1.865 64.059 62.300 -0.176 0.000 1.049 735 V CB -0.481 31.234 31.823 -0.181 0.000 0.672 735 V HN 0.786 nan 8.190 nan 0.000 0.457 736 W N 1.275 122.271 121.300 -0.506 0.000 2.335 736 W HA -0.311 4.350 4.660 0.002 0.000 0.311 736 W C 2.255 178.654 176.519 -0.200 0.000 1.213 736 W CA 2.371 59.472 57.345 -0.407 0.000 1.274 736 W CB -0.610 28.549 29.460 -0.503 0.000 1.148 736 W HN 0.533 nan 8.180 nan 0.000 0.498 737 N N 0.949 119.608 118.700 -0.069 0.000 2.120 737 N HA -0.255 4.487 4.740 0.003 0.000 0.188 737 N C 1.929 177.312 175.510 -0.212 0.000 1.024 737 N CA 2.474 55.456 53.050 -0.114 0.000 0.852 737 N CB -0.722 37.765 38.487 -0.000 0.000 1.003 737 N HN 0.147 nan 8.380 nan 0.000 0.424 738 K N -0.023 120.263 120.400 -0.191 0.000 2.020 738 K HA -0.132 4.190 4.320 0.003 0.000 0.212 738 K C 1.677 178.100 176.600 -0.295 0.000 1.050 738 K CA 1.697 57.857 56.287 -0.211 0.000 0.929 738 K CB -0.249 32.158 32.500 -0.155 0.000 0.714 738 K HN 0.077 nan 8.250 nan 0.000 0.443 739 V N 1.489 121.205 119.914 -0.330 0.000 2.343 739 V HA -0.274 3.848 4.120 0.003 0.000 0.247 739 V C 2.466 178.275 176.094 -0.476 0.000 1.051 739 V CA 1.586 63.649 62.300 -0.396 0.000 1.036 739 V CB -0.416 31.192 31.823 -0.359 0.000 0.654 739 V HN 0.420 nan 8.190 nan 0.000 0.451 740 M N 0.310 119.594 119.600 -0.526 0.000 2.267 740 M HA -0.103 4.379 4.480 0.003 0.000 0.263 740 M C 1.386 177.477 176.300 -0.348 0.000 1.063 740 M CA 1.415 56.452 55.300 -0.438 0.000 1.090 740 M CB -1.240 31.130 32.600 -0.384 0.000 1.392 740 M HN 0.400 nan 8.290 nan 0.000 0.422 741 N N 0.093 118.576 118.700 -0.362 0.000 2.230 741 N HA 0.193 4.935 4.740 0.003 0.000 0.202 741 N C 1.576 176.775 175.510 -0.517 0.000 1.119 741 N CA 0.085 52.910 53.050 -0.375 0.000 0.851 741 N CB 0.164 38.466 38.487 -0.308 0.000 0.990 741 N HN 0.341 nan 8.380 nan 0.000 0.497 742 L N 0.798 121.640 121.223 -0.635 0.000 2.079 742 L HA -0.193 4.149 4.340 0.003 0.000 0.210 742 L C 1.358 177.429 176.870 -1.331 0.000 1.081 742 L CA 1.385 55.615 54.840 -1.016 0.000 0.752 742 L CB -0.209 41.075 42.059 -1.292 0.000 0.896 742 L HN 0.141 nan 8.230 nan 0.000 0.433 743 D N -1.579 118.267 120.400 -0.923 0.000 2.342 743 D HA -0.068 4.574 4.640 0.003 0.000 0.221 743 D C 0.818 176.750 176.300 -0.612 0.000 1.101 743 D CA -0.013 53.635 54.000 -0.586 0.000 0.837 743 D CB -0.063 40.715 40.800 -0.036 0.000 0.938 743 D HN 0.020 nan 8.370 nan 0.000 0.508 744 R N 0.863 120.947 120.500 -0.694 0.000 4.496 744 R HA 0.185 4.527 4.340 0.003 0.000 0.211 744 R C 0.134 176.182 176.300 -0.421 0.000 1.738 744 R CA -0.367 55.476 56.100 -0.428 0.000 1.528 744 R CB -1.240 28.852 30.300 -0.347 0.000 1.414 744 R HN 0.255 nan 8.270 nan 0.000 0.812 745 F N 0.762 120.668 119.950 -0.073 0.000 2.451 745 F HA -0.145 4.383 4.527 0.002 0.000 0.299 745 F C 2.043 177.813 175.800 -0.049 0.000 1.101 745 F CA 0.801 58.775 58.000 -0.043 0.000 1.436 745 F CB 0.069 39.066 39.000 -0.005 0.000 1.074 745 F HN 0.269 nan 8.300 nan 0.000 0.553 746 D N 0.724 121.155 120.400 0.052 0.000 2.310 746 D HA -0.157 4.485 4.640 0.003 0.000 0.212 746 D C 1.484 177.762 176.300 -0.036 0.000 0.965 746 D CA 1.083 55.083 54.000 -0.000 0.000 0.879 746 D CB -0.400 40.380 40.800 -0.032 0.000 0.921 746 D HN 0.359 nan 8.370 nan 0.000 0.510 747 L N -0.108 121.074 121.223 -0.068 0.000 2.693 747 L HA 0.380 4.722 4.340 0.003 0.000 0.235 747 L C 1.342 178.176 176.870 -0.061 0.000 1.127 747 L CA -0.439 54.351 54.840 -0.083 0.000 0.914 747 L CB 0.255 42.236 42.059 -0.131 0.000 1.193 747 L HN -0.046 nan 8.230 nan 0.000 0.502 748 A N 0.000 122.805 122.820 -0.025 0.000 2.254 748 A HA 0.000 4.322 4.320 0.003 0.000 0.244 748 A CA 0.000 52.038 52.037 0.002 0.000 0.836 748 A CB 0.000 19.050 19.000 0.083 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486