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 2b2r_1_B DATA FIRST_RESID 35 DATA SEQUENCE NGTSNRDWWP NQLDLSILHR HSSLSDPMGK DFNYAQAFEK LDLAAVKRDL DATA SEQUENCE HALMTTSQDW WPADFGHYGG LFIRMAWHSA GTYRTADGRG GAGEGQQRFA DATA SEQUENCE PLNSWPDNAN LDKARRLLWP IKQKYGRAIS WADLLILTGN VALESMGFKT DATA SEQUENCE FGFAGGRADT WEPEDVYWGS EKIWLELSGG PNSRYSGDRQ LENPLAAVQM DATA SEQUENCE GLIYVNPEGP DGNPDPVAAA RDIRDTFARM AMNDEETVAL IAGGHTFGKT DATA SEQUENCE HGAGPASNVG AEPEAAGIEA QGLGWKSAYR 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 0.000 175.482 175.510 -0.047 0.000 1.280 35 N CA 0.000 53.027 53.050 -0.039 0.000 0.885 35 N CB 0.000 38.471 38.487 -0.026 0.000 1.341 36 G N 0.688 109.466 108.800 -0.037 0.000 2.432 36 G HA2 0.478 4.440 3.960 0.004 0.000 0.257 36 G HA3 0.478 4.440 3.960 0.004 0.000 0.257 36 G C 0.042 174.897 174.900 -0.076 0.000 1.238 36 G CA 0.910 45.991 45.100 -0.032 0.000 0.838 36 G HN 0.873 nan 8.290 nan 0.000 0.547 37 T N 1.042 115.536 114.554 -0.101 0.000 2.832 37 T HA 0.443 4.796 4.350 0.004 0.000 0.296 37 T C 0.856 175.455 174.700 -0.168 0.000 0.968 37 T CA -0.188 61.755 62.100 -0.262 0.000 1.107 37 T CB 1.048 69.649 68.868 -0.445 0.000 0.916 37 T HN 0.789 nan 8.240 nan 0.000 0.517 38 S N 2.652 118.213 115.700 -0.232 0.000 2.739 38 S HA 0.386 4.858 4.470 0.004 0.000 0.306 38 S C 1.086 175.687 174.600 0.002 0.000 1.115 38 S CA -0.932 57.241 58.200 -0.046 0.000 0.985 38 S CB 1.013 64.198 63.200 -0.024 0.000 1.133 38 S HN 0.466 nan 8.310 nan 0.000 0.541 39 N N 0.780 119.610 118.700 0.217 0.000 2.149 39 N HA -0.079 4.664 4.740 0.004 0.000 0.188 39 N C 1.646 177.332 175.510 0.294 0.000 1.019 39 N CA 1.093 54.398 53.050 0.425 0.000 0.857 39 N CB -0.664 38.092 38.487 0.448 0.000 0.997 39 N HN 0.637 nan 8.380 nan 0.000 0.426 40 R N 1.016 121.599 120.500 0.138 0.000 2.096 40 R HA -0.052 4.291 4.340 0.004 0.000 0.235 40 R C 1.146 177.428 176.300 -0.029 0.000 1.127 40 R CA 1.232 57.381 56.100 0.081 0.000 0.968 40 R CB -0.083 30.245 30.300 0.046 0.000 0.861 40 R HN 0.193 nan 8.270 nan 0.000 0.440 41 D N -1.113 119.183 120.400 -0.174 0.000 2.097 41 D HA -0.184 4.459 4.640 0.004 0.000 0.197 41 D C 1.713 177.765 176.300 -0.413 0.000 0.984 41 D CA 1.274 55.065 54.000 -0.348 0.000 0.826 41 D CB -0.426 40.035 40.800 -0.565 0.000 0.973 41 D HN 0.341 nan 8.370 nan 0.000 0.460 42 W N -0.208 120.829 121.300 -0.439 0.000 2.381 42 W HA -0.053 4.609 4.660 0.004 0.000 0.301 42 W C 0.683 176.640 176.519 -0.938 0.000 1.205 42 W CA 0.094 56.880 57.345 -0.931 0.000 1.285 42 W CB 0.071 28.414 29.460 -1.861 0.000 1.133 42 W HN -0.052 nan 8.180 nan 0.000 0.521 43 W N 0.359 121.789 121.300 0.217 0.000 2.291 43 W HA 0.255 4.917 4.660 0.004 0.000 0.288 43 W C -2.200 174.364 176.519 0.074 0.000 0.976 43 W CA -1.896 55.523 57.345 0.123 0.000 1.744 43 W CB -0.106 29.414 29.460 0.100 0.000 1.815 43 W HN -0.155 nan 8.180 nan 0.000 0.396 44 P HA -0.078 nan 4.420 nan 0.000 0.225 44 P C 0.876 178.238 177.300 0.104 0.000 1.156 44 P CA 1.433 64.592 63.100 0.098 0.000 0.787 44 P CB 0.474 32.198 31.700 0.040 0.000 0.802 45 N N -0.728 118.046 118.700 0.124 0.000 2.251 45 N HA 0.057 4.800 4.740 0.004 0.000 0.217 45 N C 0.581 176.151 175.510 0.100 0.000 1.124 45 N CA 0.077 53.182 53.050 0.092 0.000 0.843 45 N CB 0.224 38.757 38.487 0.077 0.000 1.024 45 N HN 0.228 nan 8.380 nan 0.000 0.501 46 Q N 0.652 120.537 119.800 0.142 0.000 2.256 46 Q HA 0.323 4.665 4.340 0.004 0.000 0.232 46 Q C -0.746 175.331 176.000 0.129 0.000 0.965 46 Q CA -0.524 55.358 55.803 0.131 0.000 0.908 46 Q CB 0.765 29.588 28.738 0.143 0.000 1.209 46 Q HN 0.069 nan 8.270 nan 0.000 0.489 47 L N 2.320 123.644 121.223 0.168 0.000 2.331 47 L HA 0.256 4.599 4.340 0.004 0.000 0.278 47 L C -0.953 175.986 176.870 0.114 0.000 1.106 47 L CA 0.389 55.277 54.840 0.080 0.000 0.824 47 L CB 0.937 42.963 42.059 -0.055 0.000 1.142 47 L HN 0.642 nan 8.230 nan 0.000 0.443 48 D N 4.171 124.595 120.400 0.040 0.000 2.428 48 D HA 0.176 4.819 4.640 0.004 0.000 0.221 48 D C 0.788 177.085 176.300 -0.006 0.000 1.123 48 D CA 0.000 54.031 54.000 0.051 0.000 0.869 48 D CB 0.513 41.342 40.800 0.048 0.000 1.032 48 D HN 0.560 nan 8.370 nan 0.000 0.506 49 L N 2.119 123.343 121.223 0.002 0.000 2.554 49 L HA -0.008 4.334 4.340 0.004 0.000 0.226 49 L C 2.025 178.879 176.870 -0.025 0.000 1.137 49 L CA 0.094 54.908 54.840 -0.043 0.000 0.863 49 L CB -0.063 41.998 42.059 0.004 0.000 0.985 49 L HN 0.279 nan 8.230 nan 0.000 0.451 50 S N 1.011 116.746 115.700 0.059 0.000 2.419 50 S HA -0.169 4.303 4.470 0.004 0.000 0.235 50 S C 1.956 176.563 174.600 0.012 0.000 1.019 50 S CA 1.474 59.730 58.200 0.093 0.000 0.982 50 S CB -0.317 62.941 63.200 0.096 0.000 0.789 50 S HN 0.597 nan 8.310 nan 0.000 0.490 51 I N -0.833 119.717 120.570 -0.033 0.000 2.567 51 I HA -0.069 4.103 4.170 0.004 0.000 0.257 51 I C 1.510 177.562 176.117 -0.107 0.000 1.184 51 I CA 1.387 62.659 61.300 -0.047 0.000 1.451 51 I CB -0.393 37.580 38.000 -0.044 0.000 1.089 51 I HN 0.171 nan 8.210 nan 0.000 0.441 52 L N 0.221 121.292 121.223 -0.253 0.000 2.492 52 L HA 0.036 4.378 4.340 0.004 0.000 0.223 52 L C 0.915 177.533 176.870 -0.419 0.000 1.132 52 L CA 0.694 55.304 54.840 -0.383 0.000 0.850 52 L CB -0.616 41.124 42.059 -0.532 0.000 0.966 52 L HN 0.402 nan 8.230 nan 0.000 0.454 53 H N -1.377 117.726 119.070 0.056 0.000 2.510 53 H HA 0.264 4.823 4.556 0.004 0.000 0.266 53 H C 0.312 175.691 175.328 0.084 0.000 1.146 53 H CA -0.628 55.461 56.048 0.067 0.000 0.993 53 H CB 0.416 30.215 29.762 0.061 0.000 1.727 53 H HN 0.014 nan 8.280 nan 0.000 0.590 54 R N -0.122 120.471 120.500 0.155 0.000 2.571 54 R HA 0.164 4.507 4.340 0.004 0.000 0.259 54 R C 0.404 176.880 176.300 0.294 0.000 1.226 54 R CA -0.360 55.856 56.100 0.193 0.000 1.157 54 R CB 0.101 30.526 30.300 0.208 0.000 1.220 54 R HN 0.618 nan 8.270 nan 0.000 0.605 55 H N -1.624 117.492 119.070 0.078 0.000 3.010 55 H HA -0.160 4.399 4.556 0.005 0.000 0.272 55 H C 0.152 175.550 175.328 0.117 0.000 1.151 55 H CA 0.795 56.907 56.048 0.107 0.000 1.159 55 H CB -1.101 28.720 29.762 0.098 0.000 1.295 55 H HN 0.634 nan 8.280 nan 0.000 0.344 56 S N 0.383 116.199 115.700 0.194 0.000 2.593 56 S HA 0.206 4.679 4.470 0.004 0.000 0.269 56 S C 1.678 176.346 174.600 0.113 0.000 1.334 56 S CA 0.031 58.318 58.200 0.145 0.000 1.015 56 S CB 1.831 65.101 63.200 0.117 0.000 0.912 56 S HN 0.391 nan 8.310 nan 0.000 0.541 57 S N 2.347 118.101 115.700 0.090 0.000 2.442 57 S HA -0.087 4.385 4.470 0.004 0.000 0.236 57 S C 1.772 176.387 174.600 0.025 0.000 1.007 57 S CA 0.907 59.145 58.200 0.063 0.000 0.965 57 S CB -1.004 62.230 63.200 0.057 0.000 0.773 57 S HN 0.697 nan 8.310 nan 0.000 0.504 58 L N 2.172 123.411 121.223 0.027 0.000 2.012 58 L HA -0.114 4.229 4.340 0.004 0.000 0.210 58 L C 3.051 179.912 176.870 -0.015 0.000 1.073 58 L CA 1.680 56.524 54.840 0.006 0.000 0.748 58 L CB -0.894 41.175 42.059 0.016 0.000 0.891 58 L HN 0.594 nan 8.230 nan 0.000 0.431 59 S N -2.356 113.346 115.700 0.003 0.000 2.527 59 S HA -0.050 4.422 4.470 0.004 0.000 0.222 59 S C 0.727 175.283 174.600 -0.074 0.000 0.985 59 S CA -0.138 58.058 58.200 -0.007 0.000 0.921 59 S CB -0.271 62.949 63.200 0.035 0.000 0.772 59 S HN 0.286 nan 8.310 nan 0.000 0.529 60 D N 3.075 123.406 120.400 -0.115 0.000 2.295 60 D HA 0.274 4.917 4.640 0.004 0.000 0.248 60 D C -1.475 174.559 176.300 -0.443 0.000 1.154 60 D CA -2.156 51.636 54.000 -0.348 0.000 0.857 60 D CB 1.811 42.562 40.800 -0.082 0.000 1.117 60 D HN 0.074 nan 8.370 nan 0.000 0.468 61 P HA -0.018 nan 4.420 nan 0.000 0.229 61 P C 0.503 177.566 177.300 -0.395 0.000 1.160 61 P CA 0.293 63.080 63.100 -0.521 0.000 0.777 61 P CB 0.248 31.561 31.700 -0.644 0.000 0.814 62 M N 0.220 119.570 119.600 -0.416 0.000 2.255 62 M HA 0.340 4.823 4.480 0.004 0.000 0.336 62 M C 1.230 177.484 176.300 -0.077 0.000 1.135 62 M CA -0.762 54.377 55.300 -0.269 0.000 1.145 62 M CB -0.314 32.098 32.600 -0.314 0.000 1.473 62 M HN -0.189 nan 8.290 nan 0.000 0.462 63 G N 1.235 110.036 108.800 0.001 0.000 2.594 63 G HA2 0.157 4.119 3.960 0.004 0.000 0.243 63 G HA3 0.157 4.119 3.960 0.004 0.000 0.243 63 G C 0.619 175.595 174.900 0.127 0.000 1.229 63 G CA -0.435 44.700 45.100 0.059 0.000 0.843 63 G HN 0.748 nan 8.290 nan 0.000 0.578 64 K N -0.091 120.365 120.400 0.093 0.000 2.211 64 K HA -0.050 4.272 4.320 0.004 0.000 0.204 64 K C 1.607 178.280 176.600 0.123 0.000 1.047 64 K CA 1.386 57.735 56.287 0.103 0.000 0.935 64 K CB 0.138 32.680 32.500 0.069 0.000 0.728 64 K HN 0.393 nan 8.250 nan 0.000 0.452 65 D N -0.592 119.882 120.400 0.124 0.000 2.349 65 D HA -0.050 4.592 4.640 0.004 0.000 0.224 65 D C -0.226 176.171 176.300 0.161 0.000 1.029 65 D CA 0.078 54.148 54.000 0.116 0.000 0.879 65 D CB -0.163 40.691 40.800 0.091 0.000 0.906 65 D HN 0.052 nan 8.370 nan 0.000 0.528 66 F N 2.176 122.173 119.950 0.078 0.000 2.543 66 F HA 0.142 4.672 4.527 0.005 0.000 0.375 66 F C 0.382 176.263 175.800 0.136 0.000 1.075 66 F CA -0.400 57.664 58.000 0.107 0.000 1.225 66 F CB 0.316 39.389 39.000 0.122 0.000 1.099 66 F HN -0.274 nan 8.300 nan 0.000 0.561 67 N N 6.197 124.507 118.700 -0.650 0.000 2.524 67 N HA 0.014 4.756 4.740 0.004 0.000 0.261 67 N C 0.291 175.327 175.510 -0.790 0.000 0.998 67 N CA -0.413 52.328 53.050 -0.515 0.000 0.915 67 N CB 0.334 38.697 38.487 -0.207 0.000 1.187 67 N HN 0.780 nan 8.380 nan 0.000 0.507 68 Y N 4.499 124.316 120.300 -0.805 0.000 2.181 68 Y HA -0.099 4.453 4.550 0.004 0.000 0.288 68 Y C 1.961 177.800 175.900 -0.101 0.000 1.146 68 Y CA 2.266 60.112 58.100 -0.424 0.000 1.164 68 Y CB -0.228 38.218 38.460 -0.024 0.000 0.982 68 Y HN 0.629 nan 8.280 nan 0.000 0.515 69 A N 0.247 122.915 122.820 -0.254 0.000 1.908 69 A HA -0.282 4.041 4.320 0.004 0.000 0.218 69 A C 2.147 179.638 177.584 -0.155 0.000 1.181 69 A CA 2.106 54.015 52.037 -0.213 0.000 0.627 69 A CB -0.784 18.174 19.000 -0.069 0.000 0.818 69 A HN 0.679 nan 8.150 nan 0.000 0.445 70 Q N -0.881 118.832 119.800 -0.144 0.000 2.119 70 Q HA -0.064 4.279 4.340 0.004 0.000 0.201 70 Q C 2.446 178.404 176.000 -0.070 0.000 0.972 70 Q CA 1.230 56.982 55.803 -0.086 0.000 0.847 70 Q CB -0.360 28.335 28.738 -0.072 0.000 0.903 70 Q HN 0.700 nan 8.270 nan 0.000 0.433 71 A N 0.524 123.289 122.820 -0.092 0.000 1.877 71 A HA -0.193 4.130 4.320 0.004 0.000 0.216 71 A C 1.851 179.417 177.584 -0.030 0.000 1.186 71 A CA 1.107 53.159 52.037 0.025 0.000 0.620 71 A CB -0.778 18.367 19.000 0.242 0.000 0.822 71 A HN 0.445 nan 8.150 nan 0.000 0.443 72 F N 0.852 120.589 119.950 -0.354 0.000 2.171 72 F HA -0.120 4.410 4.527 0.005 0.000 0.300 72 F C 2.138 177.850 175.800 -0.146 0.000 1.090 72 F CA 1.886 59.699 58.000 -0.312 0.000 1.293 72 F CB 0.022 38.683 39.000 -0.565 0.000 1.013 72 F HN 0.196 nan 8.300 nan 0.000 0.486 73 E N 0.388 120.558 120.200 -0.051 0.000 2.338 73 E HA -0.169 4.184 4.350 0.004 0.000 0.197 73 E C 1.761 178.280 176.600 -0.136 0.000 1.007 73 E CA 0.894 57.249 56.400 -0.075 0.000 0.849 73 E CB -0.203 29.500 29.700 0.005 0.000 0.774 73 E HN 0.474 nan 8.360 nan 0.000 0.506 74 K N 0.112 120.435 120.400 -0.128 0.000 2.393 74 K HA 0.068 4.390 4.320 0.004 0.000 0.193 74 K C 0.557 177.082 176.600 -0.125 0.000 1.026 74 K CA -0.314 55.916 56.287 -0.094 0.000 1.064 74 K CB 0.280 32.758 32.500 -0.036 0.000 0.833 74 K HN -0.056 nan 8.250 nan 0.000 0.521 75 L N 2.063 123.142 121.223 -0.240 0.000 2.490 75 L HA 0.007 4.350 4.340 0.004 0.000 0.274 75 L C -0.125 176.607 176.870 -0.231 0.000 1.201 75 L CA 0.321 55.012 54.840 -0.248 0.000 0.869 75 L CB 0.504 42.279 42.059 -0.473 0.000 1.123 75 L HN -0.000 nan 8.230 nan 0.000 0.484 76 D N 4.151 124.476 120.400 -0.125 0.000 2.455 76 D HA -0.019 4.624 4.640 0.004 0.000 0.234 76 D C 0.987 177.173 176.300 -0.190 0.000 1.224 76 D CA -0.072 53.864 54.000 -0.107 0.000 0.999 76 D CB 0.356 41.153 40.800 -0.005 0.000 1.072 76 D HN 0.621 nan 8.370 nan 0.000 0.514 77 L N 4.470 125.564 121.223 -0.214 0.000 2.046 77 L HA -0.087 4.256 4.340 0.004 0.000 0.208 77 L C 2.118 178.897 176.870 -0.153 0.000 1.077 77 L CA 2.078 56.791 54.840 -0.211 0.000 0.747 77 L CB -0.652 41.326 42.059 -0.136 0.000 0.896 77 L HN 0.394 nan 8.230 nan 0.000 0.432 78 A N -0.546 122.217 122.820 -0.095 0.000 1.908 78 A HA -0.162 4.161 4.320 0.004 0.000 0.218 78 A C 2.455 180.009 177.584 -0.050 0.000 1.181 78 A CA 1.951 53.954 52.037 -0.056 0.000 0.627 78 A CB -1.155 17.824 19.000 -0.036 0.000 0.818 78 A HN 0.573 nan 8.150 nan 0.000 0.445 79 A N -0.605 122.185 122.820 -0.051 0.000 1.902 79 A HA 0.017 4.339 4.320 0.004 0.000 0.217 79 A C 2.226 179.791 177.584 -0.031 0.000 1.181 79 A CA 1.749 53.794 52.037 0.012 0.000 0.623 79 A CB -0.928 18.136 19.000 0.107 0.000 0.818 79 A HN 0.410 nan 8.150 nan 0.000 0.443 80 V N 0.277 120.016 119.914 -0.292 0.000 2.295 80 V HA -0.295 3.828 4.120 0.004 0.000 0.246 80 V C 2.428 178.409 176.094 -0.188 0.000 1.049 80 V CA 2.401 64.424 62.300 -0.462 0.000 1.024 80 V CB -0.729 30.686 31.823 -0.680 0.000 0.648 80 V HN 0.548 nan 8.190 nan 0.000 0.447 81 K N -0.258 120.061 120.400 -0.134 0.000 2.097 81 K HA -0.133 4.189 4.320 0.004 0.000 0.206 81 K C 2.392 179.047 176.600 0.092 0.000 1.049 81 K CA 1.242 57.502 56.287 -0.045 0.000 0.933 81 K CB -0.237 32.258 32.500 -0.009 0.000 0.717 81 K HN 0.406 nan 8.250 nan 0.000 0.442 82 R N 0.881 121.424 120.500 0.073 0.000 2.081 82 R HA -0.123 4.220 4.340 0.004 0.000 0.235 82 R C 1.761 178.119 176.300 0.096 0.000 1.131 82 R CA 1.469 57.626 56.100 0.094 0.000 0.960 82 R CB -0.222 30.104 30.300 0.043 0.000 0.856 82 R HN 0.206 nan 8.270 nan 0.000 0.436 83 D N 0.773 121.214 120.400 0.069 0.000 2.144 83 D HA -0.128 4.515 4.640 0.004 0.000 0.199 83 D C 1.975 178.294 176.300 0.032 0.000 0.984 83 D CA 1.037 55.078 54.000 0.068 0.000 0.834 83 D CB -0.093 40.780 40.800 0.121 0.000 0.955 83 D HN 0.177 nan 8.370 nan 0.000 0.465 84 L N 0.157 121.366 121.223 -0.024 0.000 2.093 84 L HA -0.148 4.195 4.340 0.004 0.000 0.208 84 L C 2.513 179.330 176.870 -0.087 0.000 1.085 84 L CA 0.903 55.677 54.840 -0.109 0.000 0.755 84 L CB -0.399 41.532 42.059 -0.214 0.000 0.904 84 L HN 0.174 nan 8.230 nan 0.000 0.435 85 H N -0.174 118.881 119.070 -0.025 0.000 2.319 85 H HA -0.152 4.406 4.556 0.004 0.000 0.299 85 H C 2.265 177.596 175.328 0.004 0.000 1.092 85 H CA 1.682 57.730 56.048 -0.001 0.000 1.302 85 H CB 0.020 29.783 29.762 0.002 0.000 1.373 85 H HN 0.372 nan 8.280 nan 0.000 0.497 86 A N 1.102 123.999 122.820 0.130 0.000 1.902 86 A HA -0.146 4.177 4.320 0.004 0.000 0.217 86 A C 2.508 180.139 177.584 0.078 0.000 1.181 86 A CA 1.347 53.434 52.037 0.084 0.000 0.623 86 A CB -0.799 18.243 19.000 0.069 0.000 0.818 86 A HN 0.311 nan 8.150 nan 0.000 0.443 87 L N -0.748 120.526 121.223 0.086 0.000 2.127 87 L HA -0.172 4.171 4.340 0.004 0.000 0.211 87 L C 2.265 179.274 176.870 0.231 0.000 1.089 87 L CA 1.849 56.778 54.840 0.147 0.000 0.757 87 L CB -0.498 41.629 42.059 0.113 0.000 0.899 87 L HN 0.311 nan 8.230 nan 0.000 0.434 88 M N -0.558 119.119 119.600 0.127 0.000 2.144 88 M HA -0.155 4.328 4.480 0.004 0.000 0.260 88 M C 1.737 177.956 176.300 -0.134 0.000 1.067 88 M CA 2.133 57.453 55.300 0.033 0.000 1.095 88 M CB -1.790 30.660 32.600 -0.250 0.000 1.365 88 M HN 0.616 nan 8.290 nan 0.000 0.406 89 T N -4.167 110.320 114.554 -0.111 0.000 3.182 89 T HA 0.173 4.525 4.350 0.004 0.000 0.277 89 T C 0.279 174.959 174.700 -0.033 0.000 1.013 89 T CA -0.301 61.723 62.100 -0.126 0.000 0.900 89 T CB -0.391 68.415 68.868 -0.102 0.000 1.098 89 T HN 0.090 nan 8.240 nan 0.000 0.543 90 T N 2.615 117.207 114.554 0.063 0.000 3.151 90 T HA 0.402 4.754 4.350 0.004 0.000 0.332 90 T C 0.154 174.947 174.700 0.154 0.000 1.245 90 T CA -0.274 61.884 62.100 0.096 0.000 1.019 90 T CB 0.486 69.427 68.868 0.121 0.000 1.109 90 T HN 0.356 nan 8.240 nan 0.000 0.621 91 S N 3.540 119.251 115.700 0.018 0.000 2.531 91 S HA 0.144 4.616 4.470 0.004 0.000 0.279 91 S C 0.098 174.717 174.600 0.032 0.000 1.305 91 S CA -0.602 57.584 58.200 -0.023 0.000 1.058 91 S CB 0.286 63.400 63.200 -0.143 0.000 0.899 91 S HN 0.436 nan 8.310 nan 0.000 0.493 92 Q N 3.193 122.996 119.800 0.005 0.000 2.241 92 Q HA 0.235 4.578 4.340 0.004 0.000 0.254 92 Q C 0.293 176.127 176.000 -0.277 0.000 0.917 92 Q CA -0.591 55.074 55.803 -0.230 0.000 0.919 92 Q CB 1.430 29.750 28.738 -0.697 0.000 1.237 92 Q HN 0.681 nan 8.270 nan 0.000 0.434 93 D N 1.636 121.961 120.400 -0.124 0.000 2.219 93 D HA -0.135 4.508 4.640 0.004 0.000 0.205 93 D C 1.583 177.908 176.300 0.043 0.000 0.970 93 D CA 0.852 54.838 54.000 -0.024 0.000 0.851 93 D CB 0.126 40.961 40.800 0.058 0.000 0.943 93 D HN 0.698 nan 8.370 nan 0.000 0.488 94 W N -1.451 119.942 121.300 0.157 0.000 2.699 94 W HA 0.035 4.698 4.660 0.004 0.000 0.249 94 W C 0.356 177.088 176.519 0.355 0.000 1.280 94 W CA -0.178 57.284 57.345 0.195 0.000 1.345 94 W CB -0.490 29.071 29.460 0.169 0.000 1.128 94 W HN -0.038 nan 8.180 nan 0.000 0.642 95 W N 3.152 124.291 121.300 -0.269 0.000 1.896 95 W HA 0.245 4.907 4.660 0.004 0.000 0.302 95 W C -2.905 173.564 176.519 -0.083 0.000 1.016 95 W CA -1.891 55.371 57.345 -0.139 0.000 1.200 95 W CB 0.612 29.992 29.460 -0.134 0.000 1.226 95 W HN -0.367 nan 8.180 nan 0.000 0.308 96 P HA 0.018 nan 4.420 nan 0.000 0.266 96 P C -0.027 177.226 177.300 -0.078 0.000 1.195 96 P CA 0.685 63.713 63.100 -0.120 0.000 0.768 96 P CB 0.788 32.415 31.700 -0.122 0.000 0.838 97 A N 3.345 126.006 122.820 -0.265 0.000 2.454 97 A HA 0.124 4.447 4.320 0.004 0.000 0.260 97 A C 0.120 177.519 177.584 -0.308 0.000 1.106 97 A CA -0.280 51.427 52.037 -0.550 0.000 0.780 97 A CB -0.396 17.887 19.000 -1.194 0.000 1.044 97 A HN 0.445 nan 8.150 nan 0.000 0.498 98 D N 1.903 122.173 120.400 -0.217 0.000 2.488 98 D HA 0.160 4.803 4.640 0.004 0.000 0.238 98 D C 0.456 176.500 176.300 -0.428 0.000 1.138 98 D CA 0.708 54.362 54.000 -0.577 0.000 0.873 98 D CB -0.181 40.488 40.800 -0.218 0.000 1.183 98 D HN 0.512 nan 8.370 nan 0.000 0.458 99 F N 0.345 119.959 119.950 -0.560 0.000 3.079 99 F HA -0.262 4.268 4.527 0.004 0.000 0.285 99 F C 1.606 177.287 175.800 -0.198 0.000 0.819 99 F CA 0.573 58.389 58.000 -0.305 0.000 1.067 99 F CB -2.053 36.859 39.000 -0.145 0.000 1.263 99 F HN 0.643 nan 8.300 nan 0.000 0.458 100 G N -0.855 107.844 108.800 -0.169 0.000 2.155 100 G HA2 -0.330 3.633 3.960 0.004 0.000 0.257 100 G HA3 -0.330 3.633 3.960 0.004 0.000 0.257 100 G C -0.114 174.738 174.900 -0.080 0.000 0.983 100 G CA 0.479 45.505 45.100 -0.123 0.000 0.676 100 G HN 0.963 nan 8.290 nan 0.000 0.528 101 H N -1.575 117.410 119.070 -0.141 0.000 2.934 101 H HA 0.412 4.971 4.556 0.004 0.000 0.340 101 H C -0.022 175.286 175.328 -0.033 0.000 1.008 101 H CA -0.893 55.124 56.048 -0.053 0.000 1.317 101 H CB 0.815 30.615 29.762 0.063 0.000 1.670 101 H HN 0.033 nan 8.280 nan 0.000 0.516 102 Y N 2.858 123.285 120.300 0.212 0.000 2.553 102 Y HA 0.051 4.604 4.550 0.004 0.000 0.303 102 Y C 2.211 178.225 175.900 0.188 0.000 1.194 102 Y CA 0.812 58.957 58.100 0.076 0.000 1.305 102 Y CB 0.005 38.369 38.460 -0.161 0.000 1.045 102 Y HN 0.808 nan 8.280 nan 0.000 0.514 103 G N 0.179 109.372 108.800 0.654 0.000 2.491 103 G HA2 -0.288 3.674 3.960 0.004 0.000 0.218 103 G HA3 -0.288 3.674 3.960 0.004 0.000 0.218 103 G C 2.085 177.121 174.900 0.227 0.000 1.180 103 G CA 1.010 46.370 45.100 0.433 0.000 0.774 103 G HN 0.500 nan 8.290 nan 0.000 0.562 104 G N 0.773 109.703 108.800 0.217 0.000 2.446 104 G HA2 -0.184 3.779 3.960 0.004 0.000 0.217 104 G HA3 -0.184 3.779 3.960 0.004 0.000 0.217 104 G C 1.780 176.826 174.900 0.242 0.000 1.168 104 G CA 1.126 46.371 45.100 0.241 0.000 0.771 104 G HN 0.433 nan 8.290 nan 0.000 0.551 105 L N -0.412 120.937 121.223 0.209 0.000 2.042 105 L HA 0.035 4.378 4.340 0.004 0.000 0.210 105 L C 2.469 179.386 176.870 0.078 0.000 1.076 105 L CA 1.681 56.584 54.840 0.105 0.000 0.749 105 L CB -0.563 41.497 42.059 0.001 0.000 0.893 105 L HN 0.174 nan 8.230 nan 0.000 0.432 106 F N -0.723 119.338 119.950 0.184 0.000 2.325 106 F HA -0.048 4.482 4.527 0.004 0.000 0.299 106 F C 2.298 178.193 175.800 0.158 0.000 1.090 106 F CA 0.875 58.958 58.000 0.138 0.000 1.392 106 F CB -0.642 38.428 39.000 0.118 0.000 1.053 106 F HN 0.048 nan 8.300 nan 0.000 0.521 107 I N -0.404 120.350 120.570 0.308 0.000 2.202 107 I HA -0.275 3.897 4.170 0.004 0.000 0.242 107 I C 2.717 179.084 176.117 0.417 0.000 1.091 107 I CA 1.160 62.615 61.300 0.257 0.000 1.368 107 I CB -0.395 37.613 38.000 0.013 0.000 1.058 107 I HN 0.005 nan 8.210 nan 0.000 0.410 108 R N 1.048 121.749 120.500 0.335 0.000 2.091 108 R HA -0.234 4.109 4.340 0.004 0.000 0.238 108 R C 2.422 178.800 176.300 0.129 0.000 1.136 108 R CA 1.743 58.023 56.100 0.300 0.000 0.959 108 R CB -0.272 30.115 30.300 0.146 0.000 0.856 108 R HN 0.307 nan 8.270 nan 0.000 0.437 109 M N 0.081 119.770 119.600 0.148 0.000 2.080 109 M HA -0.185 4.298 4.480 0.004 0.000 0.260 109 M C 2.130 178.528 176.300 0.164 0.000 1.068 109 M CA 2.276 57.648 55.300 0.120 0.000 1.109 109 M CB -0.213 32.515 32.600 0.213 0.000 1.342 109 M HN 0.319 nan 8.290 nan 0.000 0.405 110 A N 0.508 123.501 122.820 0.288 0.000 1.898 110 A HA -0.231 4.092 4.320 0.004 0.000 0.216 110 A C 2.067 179.803 177.584 0.253 0.000 1.181 110 A CA 1.454 53.654 52.037 0.271 0.000 0.620 110 A CB -1.613 17.640 19.000 0.421 0.000 0.819 110 A HN 0.931 nan 8.150 nan 0.000 0.442 111 W N 0.358 121.838 121.300 0.300 0.000 2.335 111 W HA -0.242 4.420 4.660 0.004 0.000 0.311 111 W C 1.817 178.471 176.519 0.225 0.000 1.213 111 W CA 1.843 59.350 57.345 0.270 0.000 1.274 111 W CB -0.701 29.044 29.460 0.475 0.000 1.148 111 W HN 0.592 nan 8.180 nan 0.000 0.498 112 H N -0.241 118.506 119.070 -0.539 0.000 2.423 112 H HA -0.152 4.407 4.556 0.004 0.000 0.297 112 H C 2.679 177.741 175.328 -0.444 0.000 1.075 112 H CA 1.273 56.906 56.048 -0.691 0.000 1.342 112 H CB -0.057 29.447 29.762 -0.429 0.000 1.395 112 H HN 0.137 nan 8.280 nan 0.000 0.530 113 S N 0.376 115.991 115.700 -0.143 0.000 2.356 113 S HA -0.154 4.319 4.470 0.004 0.000 0.223 113 S C 2.364 176.851 174.600 -0.189 0.000 1.032 113 S CA 1.017 59.122 58.200 -0.159 0.000 1.005 113 S CB -0.166 62.978 63.200 -0.093 0.000 0.867 113 S HN 0.499 nan 8.310 nan 0.000 0.449 114 A N 0.285 122.998 122.820 -0.179 0.000 2.016 114 A HA 0.268 4.591 4.320 0.004 0.000 0.217 114 A C 2.133 179.633 177.584 -0.140 0.000 1.162 114 A CA 1.292 53.231 52.037 -0.164 0.000 0.662 114 A CB -1.096 17.803 19.000 -0.168 0.000 0.812 114 A HN 0.603 nan 8.150 nan 0.000 0.450 115 G N -0.457 108.129 108.800 -0.356 0.000 2.848 115 G HA2 0.036 3.999 3.960 0.004 0.000 0.208 115 G HA3 0.036 3.999 3.960 0.004 0.000 0.208 115 G C 1.288 175.910 174.900 -0.463 0.000 1.152 115 G CA 1.386 46.139 45.100 -0.577 0.000 0.789 115 G HN 0.622 nan 8.290 nan 0.000 0.531 116 T N -3.025 111.390 114.554 -0.232 0.000 3.100 116 T HA 0.108 4.461 4.350 0.004 0.000 0.253 116 T C 0.847 175.659 174.700 0.186 0.000 1.118 116 T CA -0.556 61.525 62.100 -0.032 0.000 1.058 116 T CB -0.250 68.568 68.868 -0.082 0.000 0.953 116 T HN 0.158 nan 8.240 nan 0.000 0.515 117 Y N 3.331 123.644 120.300 0.023 0.000 2.620 117 Y HA 0.381 4.933 4.550 0.003 0.000 0.330 117 Y C 0.054 176.002 175.900 0.080 0.000 1.186 117 Y CA -0.892 57.232 58.100 0.040 0.000 1.467 117 Y CB 0.328 38.783 38.460 -0.008 0.000 1.262 117 Y HN 0.051 nan 8.280 nan 0.000 0.550 118 R N 3.204 123.359 120.500 -0.575 0.000 2.534 118 R HA 0.308 4.650 4.340 0.004 0.000 0.301 118 R C 0.941 176.745 176.300 -0.827 0.000 0.961 118 R CA -0.275 55.527 56.100 -0.498 0.000 0.871 118 R CB 1.307 31.467 30.300 -0.233 0.000 1.170 118 R HN 0.718 nan 8.270 nan 0.000 0.446 119 T N 0.461 114.694 114.554 -0.535 0.000 2.915 119 T HA -0.159 4.193 4.350 0.004 0.000 0.269 119 T C 1.911 176.488 174.700 -0.204 0.000 1.071 119 T CA 1.347 63.253 62.100 -0.323 0.000 1.132 119 T CB -0.060 68.762 68.868 -0.077 0.000 0.878 119 T HN 0.667 nan 8.240 nan 0.000 0.479 120 A N 2.826 125.536 122.820 -0.183 0.000 1.883 120 A HA -0.177 4.145 4.320 0.004 0.000 0.217 120 A C 1.994 179.491 177.584 -0.145 0.000 1.186 120 A CA 2.046 54.002 52.037 -0.136 0.000 0.624 120 A CB -0.424 18.506 19.000 -0.117 0.000 0.822 120 A HN 0.661 nan 8.150 nan 0.000 0.444 121 D N -4.482 115.812 120.400 -0.177 0.000 2.500 121 D HA 0.307 4.949 4.640 0.004 0.000 0.217 121 D C 1.086 177.293 176.300 -0.155 0.000 1.159 121 D CA 0.927 54.834 54.000 -0.155 0.000 0.828 121 D CB -0.537 40.172 40.800 -0.151 0.000 1.039 121 D HN 0.914 nan 8.370 nan 0.000 0.512 122 G N 0.840 109.511 108.800 -0.216 0.000 2.189 122 G HA2 -0.355 3.608 3.960 0.004 0.000 0.267 122 G HA3 -0.355 3.608 3.960 0.004 0.000 0.267 122 G C 0.380 175.242 174.900 -0.063 0.000 0.975 122 G CA 0.248 45.269 45.100 -0.133 0.000 0.644 122 G HN 0.447 nan 8.290 nan 0.000 0.537 123 R N 0.228 120.642 120.500 -0.144 0.000 2.649 123 R HA 0.521 4.864 4.340 0.004 0.000 0.270 123 R C 1.253 177.538 176.300 -0.025 0.000 1.105 123 R CA 0.461 56.503 56.100 -0.098 0.000 1.193 123 R CB 0.274 30.455 30.300 -0.198 0.000 1.120 123 R HN 1.420 nan 8.270 nan 0.000 0.561 124 G N -0.500 108.340 108.800 0.067 0.000 2.750 124 G HA2 0.120 4.083 3.960 0.004 0.000 0.228 124 G HA3 0.120 4.083 3.960 0.004 0.000 0.228 124 G C 0.104 175.125 174.900 0.202 0.000 1.367 124 G CA -0.337 44.893 45.100 0.217 0.000 0.871 124 G HN 1.167 nan 8.290 nan 0.000 0.560 125 G N -2.928 105.963 108.800 0.152 0.000 2.661 125 G HA2 0.457 4.420 3.960 0.004 0.000 0.685 125 G HA3 0.457 4.420 3.960 0.004 0.000 0.685 125 G C 0.847 175.709 174.900 -0.064 0.000 1.298 125 G CA 0.997 46.122 45.100 0.043 0.000 0.855 125 G HN 2.474 nan 8.290 nan 0.000 0.560 126 A N -0.424 122.310 122.820 -0.142 0.000 2.218 126 A HA 0.523 4.845 4.320 0.004 0.000 0.209 126 A C 2.508 180.001 177.584 -0.151 0.000 1.168 126 A CA 1.719 53.661 52.037 -0.158 0.000 0.804 126 A CB -0.366 18.511 19.000 -0.205 0.000 0.834 126 A HN 2.292 nan 8.150 nan 0.000 0.482 127 G N -0.253 108.460 108.800 -0.145 0.000 2.559 127 G HA2 -0.071 3.892 3.960 0.004 0.000 0.216 127 G HA3 -0.071 3.892 3.960 0.004 0.000 0.216 127 G C 0.994 175.835 174.900 -0.099 0.000 1.126 127 G CA 0.835 45.849 45.100 -0.143 0.000 0.778 127 G HN 0.647 nan 8.290 nan 0.000 0.543 128 E N -0.845 119.311 120.200 -0.073 0.000 2.630 128 E HA 0.278 4.630 4.350 0.004 0.000 0.218 128 E C 1.372 177.917 176.600 -0.092 0.000 0.977 128 E CA 0.023 56.384 56.400 -0.065 0.000 1.038 128 E CB 0.670 30.368 29.700 -0.004 0.000 1.051 128 E HN 0.246 nan 8.360 nan 0.000 0.487 129 G N 2.456 111.192 108.800 -0.107 0.000 2.283 129 G HA2 -0.331 3.632 3.960 0.004 0.000 0.280 129 G HA3 -0.331 3.632 3.960 0.004 0.000 0.280 129 G C 0.874 175.660 174.900 -0.189 0.000 1.029 129 G CA 0.318 45.335 45.100 -0.139 0.000 0.840 129 G HN 0.202 nan 8.290 nan 0.000 0.505 130 Q N -0.849 118.887 119.800 -0.106 0.000 2.488 130 Q HA -0.035 4.308 4.340 0.004 0.000 0.211 130 Q C 2.339 178.226 176.000 -0.189 0.000 0.967 130 Q CA 1.216 56.996 55.803 -0.038 0.000 0.926 130 Q CB 0.019 28.771 28.738 0.023 0.000 0.992 130 Q HN 0.902 nan 8.270 nan 0.000 0.506 131 Q N 1.118 120.755 119.800 -0.271 0.000 2.291 131 Q HA -0.161 4.182 4.340 0.004 0.000 0.206 131 Q C 1.757 177.526 176.000 -0.385 0.000 0.976 131 Q CA 1.010 56.621 55.803 -0.321 0.000 0.875 131 Q CB 0.130 28.712 28.738 -0.261 0.000 0.927 131 Q HN 0.353 nan 8.270 nan 0.000 0.450 132 R N -1.236 118.929 120.500 -0.559 0.000 2.313 132 R HA 0.086 4.428 4.340 0.004 0.000 0.199 132 R C -0.258 175.574 176.300 -0.780 0.000 0.958 132 R CA -0.002 55.635 56.100 -0.771 0.000 1.047 132 R CB 0.148 29.774 30.300 -1.123 0.000 0.955 132 R HN 0.023 nan 8.270 nan 0.000 0.481 133 F N 0.574 120.372 119.950 -0.253 0.000 2.613 133 F HA 0.611 5.140 4.527 0.004 0.000 0.342 133 F C 0.528 176.221 175.800 -0.179 0.000 1.066 133 F CA -1.588 56.297 58.000 -0.192 0.000 1.002 133 F CB 1.097 40.004 39.000 -0.154 0.000 1.319 133 F HN -0.094 nan 8.300 nan 0.000 0.495 134 A N 1.506 124.393 122.820 0.112 0.000 2.371 134 A HA 0.373 4.696 4.320 0.004 0.000 0.257 134 A C -1.873 175.736 177.584 0.041 0.000 1.089 134 A CA -1.059 50.998 52.037 0.033 0.000 0.794 134 A CB -0.160 18.872 19.000 0.054 0.000 1.029 134 A HN 0.545 nan 8.150 nan 0.000 0.488 135 P HA 0.072 nan 4.420 nan 0.000 0.252 135 P C 1.141 178.275 177.300 -0.276 0.000 1.218 135 P CA 0.341 63.455 63.100 0.022 0.000 0.807 135 P CB 0.150 32.009 31.700 0.265 0.000 1.072 136 L N 0.996 121.862 121.223 -0.594 0.000 2.131 136 L HA -0.162 4.180 4.340 0.004 0.000 0.210 136 L C 2.254 178.834 176.870 -0.483 0.000 1.092 136 L CA 1.758 56.004 54.840 -0.991 0.000 0.759 136 L CB -1.211 40.295 42.059 -0.923 0.000 0.903 136 L HN 0.120 nan 8.230 nan 0.000 0.435 137 N N -1.155 117.372 118.700 -0.288 0.000 2.443 137 N HA -0.158 4.585 4.740 0.004 0.000 0.184 137 N C 1.173 176.661 175.510 -0.038 0.000 1.037 137 N CA 1.341 54.287 53.050 -0.173 0.000 0.896 137 N CB -0.344 38.021 38.487 -0.203 0.000 0.959 137 N HN 0.105 nan 8.380 nan 0.000 0.442 138 S N -1.798 113.869 115.700 -0.055 0.000 2.701 138 S HA 0.171 4.643 4.470 0.004 0.000 0.242 138 S C -0.675 173.942 174.600 0.028 0.000 1.025 138 S CA -0.805 57.367 58.200 -0.045 0.000 1.016 138 S CB 0.060 63.147 63.200 -0.189 0.000 0.977 138 S HN 0.242 nan 8.310 nan 0.000 0.546 139 W N 3.367 124.529 121.300 -0.231 0.000 2.223 139 W HA 0.223 4.885 4.660 0.004 0.000 0.334 139 W C -1.989 174.391 176.519 -0.231 0.000 1.334 139 W CA -1.954 55.152 57.345 -0.399 0.000 1.246 139 W CB -0.277 29.003 29.460 -0.301 0.000 1.184 139 W HN 0.109 nan 8.180 nan 0.000 0.563 140 P HA -0.222 nan 4.420 nan 0.000 0.216 140 P C 1.227 178.440 177.300 -0.144 0.000 1.150 140 P CA 1.828 64.851 63.100 -0.128 0.000 0.843 140 P CB 0.330 31.942 31.700 -0.146 0.000 0.787 141 D N -1.577 118.789 120.400 -0.056 0.000 2.310 141 D HA -0.072 4.571 4.640 0.004 0.000 0.212 141 D C 0.867 177.224 176.300 0.096 0.000 0.965 141 D CA 0.738 54.751 54.000 0.021 0.000 0.879 141 D CB -0.571 40.216 40.800 -0.022 0.000 0.921 141 D HN 0.027 nan 8.370 nan 0.000 0.510 142 N N 0.079 118.791 118.700 0.020 0.000 2.276 142 N HA 0.163 4.906 4.740 0.004 0.000 0.212 142 N C -0.372 174.889 175.510 -0.414 0.000 1.127 142 N CA -0.079 52.950 53.050 -0.036 0.000 0.834 142 N CB 0.363 38.864 38.487 0.024 0.000 1.014 142 N HN 0.005 nan 8.380 nan 0.000 0.491 143 A N 0.979 123.304 122.820 -0.825 0.000 2.546 143 A HA 0.129 4.451 4.320 0.004 0.000 0.243 143 A C 0.946 177.973 177.584 -0.929 0.000 1.063 143 A CA 0.014 50.983 52.037 -1.780 0.000 0.757 143 A CB -0.010 18.069 19.000 -1.534 0.000 0.991 143 A HN 0.445 nan 8.150 nan 0.000 0.503 144 N N 0.059 118.281 118.700 -0.797 0.000 2.900 144 N HA -0.184 4.559 4.740 0.004 0.000 0.240 144 N C 0.711 176.009 175.510 -0.354 0.000 0.953 144 N CA 1.548 54.316 53.050 -0.470 0.000 0.950 144 N CB -1.308 36.884 38.487 -0.492 0.000 1.102 144 N HN 0.678 nan 8.380 nan 0.000 0.593 145 L N 1.135 122.212 121.223 -0.243 0.000 2.376 145 L HA -0.101 4.242 4.340 0.004 0.000 0.219 145 L C 2.132 178.947 176.870 -0.092 0.000 1.133 145 L CA 1.295 56.051 54.840 -0.140 0.000 0.816 145 L CB -0.356 41.640 42.059 -0.105 0.000 0.933 145 L HN 0.237 nan 8.230 nan 0.000 0.449 146 D N 0.281 120.655 120.400 -0.042 0.000 2.149 146 D HA -0.225 4.417 4.640 0.004 0.000 0.198 146 D C 1.649 177.900 176.300 -0.082 0.000 0.990 146 D CA 1.131 55.100 54.000 -0.052 0.000 0.839 146 D CB -0.161 40.647 40.800 0.013 0.000 0.948 146 D HN 0.197 nan 8.370 nan 0.000 0.460 147 K N 1.197 121.492 120.400 -0.176 0.000 2.057 147 K HA 0.068 4.390 4.320 0.004 0.000 0.206 147 K C 2.399 178.984 176.600 -0.025 0.000 1.050 147 K CA 1.193 57.401 56.287 -0.132 0.000 0.935 147 K CB -0.838 31.224 32.500 -0.729 0.000 0.715 147 K HN 0.278 nan 8.250 nan 0.000 0.439 148 A N 2.118 124.876 122.820 -0.104 0.000 1.883 148 A HA -0.185 4.138 4.320 0.004 0.000 0.217 148 A C 2.286 180.029 177.584 0.266 0.000 1.186 148 A CA 1.513 53.560 52.037 0.017 0.000 0.624 148 A CB -0.441 18.567 19.000 0.014 0.000 0.822 148 A HN 0.268 nan 8.150 nan 0.000 0.444 149 R N -1.328 119.268 120.500 0.159 0.000 2.096 149 R HA -0.117 4.226 4.340 0.004 0.000 0.235 149 R C 2.410 178.891 176.300 0.302 0.000 1.127 149 R CA 1.457 57.668 56.100 0.185 0.000 0.968 149 R CB -0.279 29.951 30.300 -0.117 0.000 0.861 149 R HN 0.413 nan 8.270 nan 0.000 0.440 150 R N 1.460 122.093 120.500 0.222 0.000 2.096 150 R HA -0.044 4.299 4.340 0.004 0.000 0.235 150 R C 1.994 178.584 176.300 0.484 0.000 1.127 150 R CA 1.252 57.531 56.100 0.298 0.000 0.968 150 R CB -0.629 29.752 30.300 0.135 0.000 0.861 150 R HN 0.194 nan 8.270 nan 0.000 0.440 151 L N -0.108 121.398 121.223 0.472 0.000 2.191 151 L HA -0.122 4.221 4.340 0.004 0.000 0.212 151 L C 1.775 178.852 176.870 0.344 0.000 1.103 151 L CA 0.920 55.992 54.840 0.387 0.000 0.769 151 L CB -0.234 41.915 42.059 0.149 0.000 0.908 151 L HN 0.205 nan 8.230 nan 0.000 0.438 152 L N -1.738 119.712 121.223 0.378 0.000 2.558 152 L HA -0.102 4.240 4.340 0.004 0.000 0.225 152 L C 2.155 179.181 176.870 0.259 0.000 1.128 152 L CA 0.110 55.102 54.840 0.253 0.000 0.868 152 L CB -0.350 41.862 42.059 0.256 0.000 1.006 152 L HN 0.487 nan 8.230 nan 0.000 0.454 153 W N 2.982 124.431 121.300 0.248 0.000 2.335 153 W HA -0.160 4.503 4.660 0.004 0.000 0.311 153 W C -0.953 175.606 176.519 0.067 0.000 1.213 153 W CA 1.125 58.589 57.345 0.200 0.000 1.274 153 W CB -1.108 28.506 29.460 0.256 0.000 1.148 153 W HN 0.095 nan 8.180 nan 0.000 0.498 154 P HA -0.226 nan 4.420 nan 0.000 0.216 154 P C 1.708 178.808 177.300 -0.334 0.000 1.153 154 P CA 2.276 65.142 63.100 -0.390 0.000 0.858 154 P CB -0.328 31.303 31.700 -0.115 0.000 0.789 155 I N -0.949 119.521 120.570 -0.166 0.000 2.202 155 I HA -0.252 3.920 4.170 0.004 0.000 0.242 155 I C 2.414 178.462 176.117 -0.116 0.000 1.091 155 I CA 1.382 62.641 61.300 -0.069 0.000 1.368 155 I CB -0.375 37.623 38.000 -0.004 0.000 1.058 155 I HN -0.131 nan 8.210 nan 0.000 0.410 156 K N 1.176 121.412 120.400 -0.274 0.000 2.032 156 K HA -0.281 4.041 4.320 0.004 0.000 0.209 156 K C 2.151 178.547 176.600 -0.340 0.000 1.048 156 K CA 1.781 57.853 56.287 -0.359 0.000 0.927 156 K CB -0.375 31.738 32.500 -0.644 0.000 0.712 156 K HN 0.279 nan 8.250 nan 0.000 0.441 157 Q N 0.338 119.701 119.800 -0.728 0.000 2.096 157 Q HA -0.247 4.095 4.340 0.004 0.000 0.204 157 Q C 2.040 177.790 176.000 -0.416 0.000 0.982 157 Q CA 2.074 57.394 55.803 -0.806 0.000 0.850 157 Q CB -0.155 27.731 28.738 -1.420 0.000 0.901 157 Q HN 0.355 nan 8.270 nan 0.000 0.422 158 K N -0.845 119.310 120.400 -0.407 0.000 2.057 158 K HA -0.169 4.153 4.320 0.004 0.000 0.206 158 K C 1.351 177.664 176.600 -0.480 0.000 1.050 158 K CA 1.481 57.498 56.287 -0.450 0.000 0.935 158 K CB -0.067 32.097 32.500 -0.561 0.000 0.715 158 K HN 0.314 nan 8.250 nan 0.000 0.439 159 Y N -0.058 120.161 120.300 -0.136 0.000 2.510 159 Y HA 0.171 4.724 4.550 0.005 0.000 0.273 159 Y C 1.485 177.365 175.900 -0.033 0.000 1.119 159 Y CA 0.246 58.301 58.100 -0.076 0.000 1.286 159 Y CB 0.472 38.889 38.460 -0.071 0.000 1.061 159 Y HN 0.377 nan 8.280 nan 0.000 0.542 160 G N 1.737 110.570 108.800 0.055 0.000 2.583 160 G HA2 -0.431 3.532 3.960 0.004 0.000 0.292 160 G HA3 -0.431 3.532 3.960 0.004 0.000 0.292 160 G C 1.188 176.176 174.900 0.147 0.000 1.203 160 G CA 0.682 45.825 45.100 0.072 0.000 0.987 160 G HN 0.478 nan 8.290 nan 0.000 0.554 161 R N 0.865 121.467 120.500 0.170 0.000 2.280 161 R HA 0.407 4.750 4.340 0.004 0.000 0.207 161 R C 2.575 179.149 176.300 0.458 0.000 1.043 161 R CA 1.830 58.089 56.100 0.265 0.000 1.006 161 R CB -0.371 30.002 30.300 0.123 0.000 0.885 161 R HN 1.073 nan 8.270 nan 0.000 0.467 162 A N 1.460 124.483 122.820 0.338 0.000 2.067 162 A HA 0.086 4.408 4.320 0.004 0.000 0.219 162 A C 1.169 178.995 177.584 0.405 0.000 1.158 162 A CA 0.591 52.814 52.037 0.310 0.000 0.661 162 A CB -0.041 19.061 19.000 0.171 0.000 0.801 162 A HN 0.443 nan 8.150 nan 0.000 0.452 163 I N 0.613 121.422 120.570 0.398 0.000 2.478 163 I HA 0.287 4.460 4.170 0.004 0.000 0.287 163 I C 0.129 176.414 176.117 0.280 0.000 1.042 163 I CA -0.683 60.878 61.300 0.436 0.000 1.067 163 I CB 1.936 40.059 38.000 0.205 0.000 1.233 163 I HN 0.204 nan 8.210 nan 0.000 0.431 164 S N 4.567 120.411 115.700 0.240 0.000 2.585 164 S HA 0.107 4.580 4.470 0.004 0.000 0.273 164 S C 0.735 175.329 174.600 -0.009 0.000 1.339 164 S CA -0.240 57.925 58.200 -0.058 0.000 1.028 164 S CB 0.667 63.617 63.200 -0.416 0.000 0.906 164 S HN 0.816 nan 8.310 nan 0.000 0.528 165 W N 1.449 122.712 121.300 -0.062 0.000 2.321 165 W HA -0.135 4.527 4.660 0.004 0.000 0.306 165 W C 2.791 179.252 176.519 -0.096 0.000 1.217 165 W CA 1.486 58.788 57.345 -0.072 0.000 1.257 165 W CB -0.677 28.694 29.460 -0.149 0.000 1.145 165 W HN 0.942 nan 8.180 nan 0.000 0.509 166 A N 0.188 123.062 122.820 0.090 0.000 1.873 166 A HA -0.272 4.050 4.320 0.004 0.000 0.218 166 A C 1.689 179.278 177.584 0.008 0.000 1.193 166 A CA 2.338 54.369 52.037 -0.011 0.000 0.629 166 A CB -1.000 17.938 19.000 -0.103 0.000 0.826 166 A HN 0.194 nan 8.150 nan 0.000 0.447 167 D N -0.714 119.706 120.400 0.033 0.000 2.117 167 D HA -0.104 4.539 4.640 0.004 0.000 0.198 167 D C 1.840 178.249 176.300 0.182 0.000 0.982 167 D CA 1.176 55.266 54.000 0.150 0.000 0.828 167 D CB -0.390 40.548 40.800 0.230 0.000 0.967 167 D HN 0.318 nan 8.370 nan 0.000 0.464 168 L N 0.710 121.995 121.223 0.103 0.000 2.083 168 L HA -0.092 4.251 4.340 0.004 0.000 0.209 168 L C 2.141 179.030 176.870 0.032 0.000 1.083 168 L CA 1.251 56.103 54.840 0.021 0.000 0.752 168 L CB -0.468 41.551 42.059 -0.068 0.000 0.899 168 L HN 0.028 nan 8.230 nan 0.000 0.433 169 L N -1.186 120.100 121.223 0.104 0.000 2.012 169 L HA -0.250 4.093 4.340 0.004 0.000 0.210 169 L C 2.470 179.389 176.870 0.082 0.000 1.073 169 L CA 1.037 55.939 54.840 0.103 0.000 0.748 169 L CB -0.693 41.424 42.059 0.098 0.000 0.891 169 L HN 0.270 nan 8.230 nan 0.000 0.431 170 I N -0.480 120.142 120.570 0.086 0.000 2.233 170 I HA -0.242 3.931 4.170 0.004 0.000 0.243 170 I C 2.518 178.710 176.117 0.125 0.000 1.093 170 I CA 1.186 62.563 61.300 0.128 0.000 1.380 170 I CB -1.044 37.019 38.000 0.104 0.000 1.067 170 I HN 0.228 nan 8.210 nan 0.000 0.413 171 L N 0.932 122.130 121.223 -0.042 0.000 2.042 171 L HA -0.214 4.128 4.340 0.004 0.000 0.210 171 L C 2.464 179.201 176.870 -0.222 0.000 1.076 171 L CA 2.081 56.671 54.840 -0.417 0.000 0.749 171 L CB -1.016 40.706 42.059 -0.563 0.000 0.893 171 L HN 0.189 nan 8.230 nan 0.000 0.432 172 T N -0.715 113.741 114.554 -0.162 0.000 2.746 172 T HA -0.112 4.241 4.350 0.004 0.000 0.267 172 T C 1.715 176.360 174.700 -0.092 0.000 1.039 172 T CA 1.208 63.170 62.100 -0.231 0.000 1.142 172 T CB -0.913 67.732 68.868 -0.372 0.000 0.866 172 T HN 0.598 nan 8.240 nan 0.000 0.444 173 G N 1.744 110.602 108.800 0.097 0.000 2.418 173 G HA2 -0.266 3.697 3.960 0.004 0.000 0.217 173 G HA3 -0.266 3.697 3.960 0.004 0.000 0.217 173 G C 1.643 176.637 174.900 0.157 0.000 1.158 173 G CA 0.859 46.115 45.100 0.259 0.000 0.771 173 G HN 0.395 nan 8.290 nan 0.000 0.545 174 N N 0.208 119.031 118.700 0.206 0.000 2.069 174 N HA -0.100 4.642 4.740 0.004 0.000 0.191 174 N C 2.258 177.743 175.510 -0.043 0.000 1.031 174 N CA 1.140 54.268 53.050 0.129 0.000 0.852 174 N CB -0.524 38.056 38.487 0.155 0.000 1.018 174 N HN 0.183 nan 8.380 nan 0.000 0.423 175 V N 0.924 120.761 119.914 -0.129 0.000 2.427 175 V HA -0.166 3.956 4.120 0.004 0.000 0.248 175 V C 2.249 178.207 176.094 -0.226 0.000 1.051 175 V CA 1.662 63.804 62.300 -0.263 0.000 1.048 175 V CB -0.992 30.596 31.823 -0.392 0.000 0.666 175 V HN 0.329 nan 8.190 nan 0.000 0.456 176 A N -0.036 122.715 122.820 -0.115 0.000 1.883 176 A HA -0.199 4.123 4.320 0.004 0.000 0.217 176 A C 2.225 179.723 177.584 -0.142 0.000 1.186 176 A CA 1.982 54.008 52.037 -0.019 0.000 0.624 176 A CB -0.590 18.454 19.000 0.074 0.000 0.822 176 A HN 0.485 nan 8.150 nan 0.000 0.444 177 L N -0.602 120.466 121.223 -0.258 0.000 1.989 177 L HA -0.244 4.098 4.340 0.004 0.000 0.211 177 L C 2.730 179.565 176.870 -0.059 0.000 1.071 177 L CA 1.926 56.575 54.840 -0.318 0.000 0.749 177 L CB -0.625 41.221 42.059 -0.354 0.000 0.890 177 L HN 0.486 nan 8.230 nan 0.000 0.431 178 E N -0.803 119.390 120.200 -0.012 0.000 2.077 178 E HA -0.227 4.126 4.350 0.004 0.000 0.193 178 E C 2.322 179.023 176.600 0.169 0.000 0.989 178 E CA 1.398 57.843 56.400 0.075 0.000 0.800 178 E CB -0.183 29.572 29.700 0.091 0.000 0.746 178 E HN 0.333 nan 8.360 nan 0.000 0.452 179 S N 0.568 116.375 115.700 0.177 0.000 2.387 179 S HA -0.143 4.330 4.470 0.004 0.000 0.230 179 S C 1.777 176.519 174.600 0.237 0.000 1.035 179 S CA 1.161 59.539 58.200 0.296 0.000 1.014 179 S CB -0.057 63.313 63.200 0.282 0.000 0.836 179 S HN 0.180 nan 8.310 nan 0.000 0.466 180 M N 0.182 119.865 119.600 0.140 0.000 2.505 180 M HA 0.249 4.732 4.480 0.004 0.000 0.230 180 M C 1.223 177.697 176.300 0.290 0.000 1.153 180 M CA 0.543 55.934 55.300 0.151 0.000 0.997 180 M CB 0.506 33.140 32.600 0.058 0.000 1.606 180 M HN 0.534 nan 8.290 nan 0.000 0.481 181 G N 1.268 110.208 108.800 0.233 0.000 2.144 181 G HA2 -0.264 3.699 3.960 0.004 0.000 0.218 181 G HA3 -0.264 3.699 3.960 0.004 0.000 0.218 181 G C -0.367 174.651 174.900 0.197 0.000 0.988 181 G CA -0.601 44.637 45.100 0.230 0.000 0.659 181 G HN 0.459 nan 8.290 nan 0.000 0.522 182 F N 2.059 121.984 119.950 -0.043 0.000 2.411 182 F HA 0.631 5.161 4.527 0.004 0.000 0.352 182 F C 0.469 176.122 175.800 -0.245 0.000 1.123 182 F CA -1.248 56.567 58.000 -0.308 0.000 1.044 182 F CB 1.092 39.842 39.000 -0.417 0.000 1.135 182 F HN 0.019 nan 8.300 nan 0.000 0.461 183 K N 5.809 125.741 120.400 -0.779 0.000 2.316 183 K HA 0.201 4.524 4.320 0.004 0.000 0.289 183 K C -0.101 176.151 176.600 -0.580 0.000 1.070 183 K CA -0.262 55.722 56.287 -0.505 0.000 0.928 183 K CB 0.454 32.718 32.500 -0.392 0.000 1.039 183 K HN 0.799 nan 8.250 nan 0.000 0.480 184 T N 1.290 115.723 114.554 -0.201 0.000 2.868 184 T HA 0.098 4.450 4.350 0.004 0.000 0.292 184 T C 0.843 175.569 174.700 0.043 0.000 1.028 184 T CA -0.624 61.479 62.100 0.006 0.000 1.059 184 T CB 0.578 69.550 68.868 0.173 0.000 0.991 184 T HN 0.540 nan 8.240 nan 0.000 0.531 185 F N 1.230 121.173 119.950 -0.013 0.000 2.456 185 F HA 0.383 4.913 4.527 0.004 0.000 0.298 185 F C 1.255 176.946 175.800 -0.181 0.000 1.104 185 F CA 1.088 59.022 58.000 -0.110 0.000 1.435 185 F CB -0.398 38.543 39.000 -0.098 0.000 1.078 185 F HN 1.198 nan 8.300 nan 0.000 0.546 186 G N -0.961 107.856 108.800 0.029 0.000 2.359 186 G HA2 0.314 4.276 3.960 0.004 0.000 0.293 186 G HA3 0.314 4.276 3.960 0.004 0.000 0.293 186 G C -2.135 173.014 174.900 0.415 0.000 1.300 186 G CA -0.514 44.590 45.100 0.007 0.000 0.888 186 G HN 0.204 nan 8.290 nan 0.000 0.541 187 F N 0.148 120.242 119.950 0.241 0.000 2.654 187 F HA 0.750 5.280 4.527 0.005 0.000 0.314 187 F C -0.650 175.348 175.800 0.329 0.000 1.116 187 F CA 0.018 58.247 58.000 0.382 0.000 1.017 187 F CB 1.560 40.727 39.000 0.279 0.000 1.285 187 F HN 1.385 nan 8.300 nan 0.000 0.448 188 A N 3.581 126.125 122.820 -0.460 0.000 2.355 188 A HA 0.815 5.138 4.320 0.004 0.000 0.317 188 A C -0.185 176.707 177.584 -1.153 0.000 1.094 188 A CA -0.175 51.529 52.037 -0.555 0.000 0.764 188 A CB 0.991 19.730 19.000 -0.435 0.000 1.230 188 A HN 1.285 nan 8.150 nan 0.000 0.448 189 G N -0.411 107.912 108.800 -0.794 0.000 2.557 189 G HA2 0.562 4.525 3.960 0.004 0.000 0.292 189 G HA3 0.562 4.525 3.960 0.004 0.000 0.292 189 G C 0.838 175.281 174.900 -0.761 0.000 1.237 189 G CA -0.113 44.362 45.100 -1.042 0.000 0.978 189 G HN 2.172 nan 8.290 nan 0.000 0.498 190 G N -1.476 106.972 108.800 -0.587 0.000 2.227 190 G HA2 -0.181 3.782 3.960 0.004 0.000 0.168 190 G HA3 -0.181 3.782 3.960 0.004 0.000 0.168 190 G C 0.394 175.288 174.900 -0.010 0.000 1.006 190 G CA -0.356 44.630 45.100 -0.191 0.000 0.684 190 G HN 0.720 nan 8.290 nan 0.000 0.489 191 R N 1.234 121.682 120.500 -0.086 0.000 2.309 191 R HA 0.574 4.917 4.340 0.004 0.000 0.331 191 R C 0.871 177.044 176.300 -0.211 0.000 1.116 191 R CA 0.471 56.492 56.100 -0.131 0.000 0.970 191 R CB 0.815 31.008 30.300 -0.179 0.000 1.024 191 R HN 0.465 nan 8.270 nan 0.000 0.472 192 A N 3.227 125.958 122.820 -0.150 0.000 2.462 192 A HA 0.040 4.363 4.320 0.004 0.000 0.243 192 A C -0.030 177.400 177.584 -0.257 0.000 1.076 192 A CA -0.412 51.455 52.037 -0.283 0.000 0.773 192 A CB 0.261 19.275 19.000 0.023 0.000 1.010 192 A HN 0.554 nan 8.150 nan 0.000 0.493 193 D N 0.883 121.091 120.400 -0.321 0.000 2.368 193 D HA 0.374 5.016 4.640 0.004 0.000 0.240 193 D C 0.873 176.872 176.300 -0.501 0.000 1.169 193 D CA 0.977 54.741 54.000 -0.393 0.000 0.906 193 D CB 0.928 41.421 40.800 -0.511 0.000 1.187 193 D HN 0.702 nan 8.370 nan 0.000 0.435 194 T N -2.144 112.032 114.554 -0.629 0.000 2.940 194 T HA 0.533 4.886 4.350 0.004 0.000 0.288 194 T C 0.078 174.225 174.700 -0.922 0.000 1.045 194 T CA -0.822 60.894 62.100 -0.640 0.000 1.018 194 T CB 1.174 69.835 68.868 -0.344 0.000 1.151 194 T HN 0.533 nan 8.240 nan 0.000 0.529 195 W N 0.201 121.405 121.300 -0.159 0.000 2.518 195 W HA 0.340 5.002 4.660 0.004 0.000 0.352 195 W C 0.483 176.657 176.519 -0.576 0.000 0.952 195 W CA -0.664 56.567 57.345 -0.189 0.000 1.624 195 W CB 0.619 30.032 29.460 -0.078 0.000 1.135 195 W HN 0.974 nan 8.180 nan 0.000 0.540 196 E N -0.662 119.119 120.200 -0.698 0.000 2.423 196 E HA 0.397 4.750 4.350 0.004 0.000 0.280 196 E C -2.930 173.264 176.600 -0.677 0.000 1.030 196 E CA -2.506 53.450 56.400 -0.740 0.000 0.812 196 E CB 1.653 31.185 29.700 -0.281 0.000 1.313 196 E HN -0.372 nan 8.360 nan 0.000 0.456 197 P HA -0.016 nan 4.420 nan 0.000 0.265 197 P C -0.659 176.615 177.300 -0.043 0.000 1.193 197 P CA 0.158 63.168 63.100 -0.150 0.000 0.765 197 P CB 0.484 32.161 31.700 -0.038 0.000 0.823 198 E N 2.368 122.590 120.200 0.037 0.000 2.392 198 E HA -0.003 4.350 4.350 0.004 0.000 0.264 198 E C -0.485 176.154 176.600 0.064 0.000 1.024 198 E CA -0.264 56.179 56.400 0.072 0.000 0.903 198 E CB 0.331 30.088 29.700 0.096 0.000 0.963 198 E HN 0.375 nan 8.360 nan 0.000 0.432 199 D N 3.856 124.273 120.400 0.027 0.000 2.365 199 D HA 0.180 4.822 4.640 0.004 0.000 0.237 199 D C -0.889 175.360 176.300 -0.085 0.000 1.190 199 D CA -0.002 53.997 54.000 -0.002 0.000 0.867 199 D CB 1.108 41.906 40.800 -0.004 0.000 1.050 199 D HN 0.054 nan 8.370 nan 0.000 0.491 200 V N 3.082 122.894 119.914 -0.170 0.000 2.709 200 V HA 0.112 4.234 4.120 0.004 0.000 0.308 200 V C -0.617 175.157 176.094 -0.533 0.000 1.062 200 V CA -1.105 60.896 62.300 -0.498 0.000 0.901 200 V CB 2.056 33.268 31.823 -1.018 0.000 1.003 200 V HN 0.372 nan 8.190 nan 0.000 0.425 201 Y N 2.942 122.936 120.300 -0.509 0.000 2.539 201 Y HA 0.267 4.820 4.550 0.004 0.000 0.352 201 Y C 0.202 175.883 175.900 -0.364 0.000 1.004 201 Y CA -0.601 57.306 58.100 -0.321 0.000 1.278 201 Y CB 0.640 38.979 38.460 -0.201 0.000 1.136 201 Y HN 0.772 nan 8.280 nan 0.000 0.528 202 W N 4.413 125.485 121.300 -0.380 0.000 3.220 202 W HA 0.478 5.140 4.660 0.005 0.000 0.328 202 W C 0.809 177.000 176.519 -0.547 0.000 1.205 202 W CA 0.471 57.643 57.345 -0.289 0.000 1.773 202 W CB 0.420 29.913 29.460 0.055 0.000 1.086 202 W HN 0.982 nan 8.180 nan 0.000 0.622 203 G N -0.531 107.686 108.800 -0.972 0.000 2.355 203 G HA2 -0.059 3.903 3.960 0.004 0.000 0.619 203 G HA3 -0.059 3.903 3.960 0.004 0.000 0.619 203 G C -0.008 174.667 174.900 -0.375 0.000 1.337 203 G CA -0.356 44.329 45.100 -0.692 0.000 0.993 203 G HN -0.213 nan 8.290 nan 0.000 0.599 204 S N -0.210 115.441 115.700 -0.081 0.000 2.539 204 S HA 0.253 4.726 4.470 0.004 0.000 0.221 204 S C 0.549 175.126 174.600 -0.038 0.000 0.987 204 S CA 0.199 58.420 58.200 0.035 0.000 0.929 204 S CB 0.337 63.616 63.200 0.132 0.000 0.832 204 S HN 0.587 nan 8.310 nan 0.000 0.492 205 E N 1.951 122.097 120.200 -0.090 0.000 2.392 205 E HA 0.139 4.492 4.350 0.004 0.000 0.264 205 E C 0.609 177.103 176.600 -0.177 0.000 1.024 205 E CA 0.113 56.446 56.400 -0.111 0.000 0.903 205 E CB 0.442 30.073 29.700 -0.115 0.000 0.963 205 E HN -0.103 nan 8.360 nan 0.000 0.432 206 K N 1.819 122.125 120.400 -0.156 0.000 2.373 206 K HA 0.301 4.624 4.320 0.004 0.000 0.202 206 K C -0.157 176.302 176.600 -0.235 0.000 1.025 206 K CA 0.093 56.264 56.287 -0.192 0.000 1.115 206 K CB 0.260 32.691 32.500 -0.116 0.000 0.858 206 K HN 0.431 nan 8.250 nan 0.000 0.525 207 I N 0.237 120.670 120.570 -0.228 0.000 2.499 207 I HA 0.254 4.427 4.170 0.004 0.000 0.288 207 I C -0.601 175.412 176.117 -0.173 0.000 1.048 207 I CA -1.039 60.160 61.300 -0.169 0.000 1.062 207 I CB 1.451 39.418 38.000 -0.055 0.000 1.238 207 I HN -0.047 nan 8.210 nan 0.000 0.426 208 W N 6.873 128.150 121.300 -0.037 0.000 2.295 208 W HA 0.160 4.822 4.660 0.004 0.000 0.335 208 W C 0.977 177.458 176.519 -0.064 0.000 1.351 208 W CA -0.097 57.209 57.345 -0.066 0.000 1.273 208 W CB 0.206 29.643 29.460 -0.038 0.000 1.214 208 W HN 0.464 nan 8.180 nan 0.000 0.563 209 L N 0.991 122.328 121.223 0.190 0.000 4.179 209 L HA -0.302 4.040 4.340 0.004 0.000 0.418 209 L C 0.762 177.666 176.870 0.057 0.000 1.168 209 L CA 0.303 55.195 54.840 0.087 0.000 0.972 209 L CB -1.760 40.351 42.059 0.087 0.000 2.005 209 L HN 0.564 nan 8.230 nan 0.000 0.935 210 E N 1.250 121.471 120.200 0.034 0.000 2.465 210 E HA 0.204 4.557 4.350 0.004 0.000 0.260 210 E C 0.357 176.982 176.600 0.042 0.000 0.980 210 E CA -0.204 56.211 56.400 0.026 0.000 0.927 210 E CB 0.561 30.261 29.700 -0.001 0.000 0.934 210 E HN 0.258 nan 8.360 nan 0.000 0.459 211 L N 2.907 124.157 121.223 0.045 0.000 2.472 211 L HA 0.108 4.451 4.340 0.004 0.000 0.260 211 L C 0.956 177.864 176.870 0.064 0.000 1.209 211 L CA -0.567 54.304 54.840 0.053 0.000 0.817 211 L CB 0.704 42.787 42.059 0.040 0.000 1.106 211 L HN 0.623 nan 8.230 nan 0.000 0.479 212 S N -0.204 115.541 115.700 0.075 0.000 2.589 212 S HA 0.377 4.850 4.470 0.004 0.000 0.265 212 S C 1.006 175.651 174.600 0.074 0.000 1.342 212 S CA -0.072 58.197 58.200 0.115 0.000 1.005 212 S CB 1.136 64.393 63.200 0.095 0.000 0.909 212 S HN 1.114 nan 8.310 nan 0.000 0.555 213 G N 0.035 108.890 108.800 0.091 0.000 2.176 213 G HA2 -0.081 3.881 3.960 0.004 0.000 0.253 213 G HA3 -0.081 3.881 3.960 0.004 0.000 0.253 213 G C 0.545 175.473 174.900 0.047 0.000 0.979 213 G CA 0.144 45.282 45.100 0.062 0.000 0.641 213 G HN 1.350 nan 8.290 nan 0.000 0.530 214 G N 0.214 109.042 108.800 0.046 0.000 2.588 214 G HA2 0.577 4.540 3.960 0.004 0.000 0.278 214 G HA3 0.577 4.540 3.960 0.004 0.000 0.278 214 G C -0.130 174.787 174.900 0.027 0.000 1.307 214 G CA 0.024 45.142 45.100 0.030 0.000 1.016 214 G HN 0.144 nan 8.290 nan 0.000 0.503 215 P HA -0.045 nan 4.420 nan 0.000 0.222 215 P C 0.445 177.756 177.300 0.018 0.000 1.147 215 P CA 0.868 63.977 63.100 0.016 0.000 0.790 215 P CB 0.329 32.033 31.700 0.007 0.000 0.780 216 N N -0.447 118.263 118.700 0.016 0.000 2.467 216 N HA 0.047 4.790 4.740 0.004 0.000 0.278 216 N C -0.126 175.401 175.510 0.029 0.000 1.306 216 N CA -0.033 53.029 53.050 0.020 0.000 0.905 216 N CB 0.365 38.855 38.487 0.005 0.000 1.236 216 N HN -0.020 nan 8.380 nan 0.000 0.509 217 S N 1.206 116.931 115.700 0.042 0.000 2.546 217 S HA -0.030 4.443 4.470 0.004 0.000 0.290 217 S C 1.556 176.184 174.600 0.047 0.000 1.290 217 S CA -0.226 58.014 58.200 0.066 0.000 1.069 217 S CB 0.597 63.852 63.200 0.092 0.000 0.846 217 S HN 0.469 nan 8.310 nan 0.000 0.495 218 R N 3.489 123.999 120.500 0.017 0.000 2.299 218 R HA 0.113 4.456 4.340 0.004 0.000 0.197 218 R C -0.521 175.624 176.300 -0.258 0.000 0.971 218 R CA 0.334 56.368 56.100 -0.110 0.000 1.030 218 R CB -0.123 30.067 30.300 -0.182 0.000 0.932 218 R HN 0.583 nan 8.270 nan 0.000 0.477 219 Y N 0.998 121.320 120.300 0.037 0.000 2.409 219 Y HA 0.392 4.945 4.550 0.004 0.000 0.339 219 Y C 0.269 176.189 175.900 0.034 0.000 1.033 219 Y CA -0.473 57.650 58.100 0.038 0.000 1.094 219 Y CB 2.126 40.608 38.460 0.037 0.000 1.210 219 Y HN 0.134 nan 8.280 nan 0.000 0.456 220 S N 0.547 116.366 115.700 0.200 0.000 2.651 220 S HA 0.849 5.322 4.470 0.004 0.000 0.279 220 S C 0.079 174.752 174.600 0.122 0.000 1.148 220 S CA -0.365 57.912 58.200 0.129 0.000 0.837 220 S CB 1.480 64.728 63.200 0.081 0.000 1.138 220 S HN 1.459 nan 8.310 nan 0.000 0.478 221 G N 1.659 110.510 108.800 0.084 0.000 2.596 221 G HA2 -0.275 3.688 3.960 0.004 0.000 0.295 221 G HA3 -0.275 3.688 3.960 0.004 0.000 0.295 221 G C -0.230 174.712 174.900 0.070 0.000 1.240 221 G CA 0.682 45.823 45.100 0.068 0.000 0.985 221 G HN 1.240 nan 8.290 nan 0.000 0.555 222 D N 0.869 121.308 120.400 0.065 0.000 2.619 222 D HA 0.425 5.068 4.640 0.004 0.000 0.224 222 D C 1.179 177.525 176.300 0.077 0.000 1.133 222 D CA 0.176 54.209 54.000 0.055 0.000 1.017 222 D CB -0.487 40.340 40.800 0.044 0.000 1.077 222 D HN 0.793 nan 8.370 nan 0.000 0.503 223 R N 1.238 121.791 120.500 0.088 0.000 3.422 223 R HA -0.184 4.159 4.340 0.004 0.000 0.267 223 R C -0.917 175.571 176.300 0.314 0.000 1.074 223 R CA 0.420 56.592 56.100 0.120 0.000 0.718 223 R CB -1.577 28.724 30.300 0.002 0.000 1.157 223 R HN 0.350 nan 8.270 nan 0.000 0.440 224 Q N 0.654 120.632 119.800 0.296 0.000 2.314 224 Q HA 0.232 4.574 4.340 0.004 0.000 0.257 224 Q C -0.150 175.929 176.000 0.132 0.000 0.975 224 Q CA -0.690 55.234 55.803 0.202 0.000 0.933 224 Q CB 1.275 30.080 28.738 0.112 0.000 1.195 224 Q HN 0.270 nan 8.270 nan 0.000 0.426 225 L N 3.480 124.705 121.223 0.003 0.000 2.331 225 L HA 0.124 4.466 4.340 0.004 0.000 0.278 225 L C 0.328 177.101 176.870 -0.161 0.000 1.106 225 L CA -0.027 54.616 54.840 -0.328 0.000 0.824 225 L CB 0.595 42.510 42.059 -0.241 0.000 1.142 225 L HN 0.533 nan 8.230 nan 0.000 0.443 226 E N 3.116 123.210 120.200 -0.176 0.000 2.376 226 E HA 0.077 4.429 4.350 0.004 0.000 0.266 226 E C -0.648 175.926 176.600 -0.043 0.000 1.009 226 E CA -0.161 56.198 56.400 -0.069 0.000 0.902 226 E CB 0.104 29.787 29.700 -0.028 0.000 0.972 226 E HN 0.670 nan 8.360 nan 0.000 0.439 227 N N 3.488 122.165 118.700 -0.038 0.000 2.508 227 N HA 0.061 4.804 4.740 0.004 0.000 0.264 227 N C -1.720 173.775 175.510 -0.024 0.000 1.216 227 N CA -1.154 51.870 53.050 -0.043 0.000 0.943 227 N CB 0.709 39.152 38.487 -0.074 0.000 1.113 227 N HN 0.562 nan 8.380 nan 0.000 0.447 228 P HA 0.122 nan 4.420 nan 0.000 0.259 228 P C -0.625 176.664 177.300 -0.017 0.000 1.530 228 P CA 0.121 63.199 63.100 -0.036 0.000 1.022 228 P CB 0.277 31.938 31.700 -0.066 0.000 1.514 229 L N 0.197 121.426 121.223 0.010 0.000 2.452 229 L HA 0.440 4.782 4.340 0.004 0.000 0.267 229 L C 1.164 178.047 176.870 0.021 0.000 1.188 229 L CA -0.348 54.500 54.840 0.013 0.000 0.821 229 L CB 0.567 42.614 42.059 -0.020 0.000 1.102 229 L HN -0.055 nan 8.230 nan 0.000 0.470 230 A N 1.650 124.515 122.820 0.075 0.000 2.592 230 A HA 0.698 5.021 4.320 0.004 0.000 0.290 230 A C 0.058 177.756 177.584 0.189 0.000 0.998 230 A CA 0.177 52.285 52.037 0.118 0.000 0.983 230 A CB 0.388 19.462 19.000 0.123 0.000 1.240 230 A HN 0.700 nan 8.150 nan 0.000 0.535 231 A N -0.623 122.274 122.820 0.129 0.000 2.498 231 A HA 0.619 4.942 4.320 0.004 0.000 0.298 231 A C 0.798 178.441 177.584 0.098 0.000 1.075 231 A CA 0.210 52.321 52.037 0.124 0.000 0.714 231 A CB 0.853 19.868 19.000 0.025 0.000 1.299 231 A HN 1.165 nan 8.150 nan 0.000 0.407 232 V N -1.720 118.293 119.914 0.165 0.000 3.129 232 V HA 0.218 4.340 4.120 0.004 0.000 0.259 232 V C 0.361 176.585 176.094 0.218 0.000 1.116 232 V CA 1.272 63.740 62.300 0.280 0.000 1.127 232 V CB -1.012 30.993 31.823 0.303 0.000 0.742 232 V HN 0.722 nan 8.190 nan 0.000 0.474 233 Q N -0.211 119.633 119.800 0.073 0.000 2.418 233 Q HA 0.554 4.897 4.340 0.004 0.000 0.282 233 Q C -1.145 174.791 176.000 -0.106 0.000 1.044 233 Q CA -0.990 54.823 55.803 0.017 0.000 0.813 233 Q CB 2.362 31.119 28.738 0.031 0.000 1.428 233 Q HN 0.311 nan 8.270 nan 0.000 0.402 234 M N 1.271 120.802 119.600 -0.116 0.000 2.307 234 M HA 0.324 4.807 4.480 0.004 0.000 0.346 234 M C 0.718 176.875 176.300 -0.239 0.000 1.552 234 M CA 1.643 56.817 55.300 -0.211 0.000 1.116 234 M CB -0.556 31.926 32.600 -0.196 0.000 1.889 234 M HN 0.843 nan 8.290 nan 0.000 0.460 235 G N 3.898 112.230 108.800 -0.781 0.000 2.159 235 G HA2 -0.152 3.811 3.960 0.004 0.000 0.227 235 G HA3 -0.152 3.811 3.960 0.004 0.000 0.227 235 G C -0.299 174.086 174.900 -0.858 0.000 0.986 235 G CA 0.032 44.424 45.100 -1.181 0.000 0.651 235 G HN 0.688 nan 8.290 nan 0.000 0.523 236 L N 0.846 121.680 121.223 -0.648 0.000 2.344 236 L HA 0.506 4.849 4.340 0.004 0.000 0.272 236 L C 1.773 178.441 176.870 -0.338 0.000 1.035 236 L CA -1.464 53.175 54.840 -0.334 0.000 0.807 236 L CB 0.924 42.906 42.059 -0.128 0.000 1.237 236 L HN -0.153 nan 8.230 nan 0.000 0.442 237 I N 0.277 120.676 120.570 -0.285 0.000 2.141 237 I HA -0.185 3.988 4.170 0.004 0.000 0.236 237 I C 1.357 177.164 176.117 -0.515 0.000 1.071 237 I CA 2.149 63.150 61.300 -0.498 0.000 1.345 237 I CB -0.525 36.908 38.000 -0.945 0.000 1.066 237 I HN 0.645 nan 8.210 nan 0.000 0.406 238 Y N -0.436 119.892 120.300 0.046 0.000 3.224 238 Y HA 0.252 4.805 4.550 0.005 0.000 0.184 238 Y C 0.744 176.740 175.900 0.161 0.000 0.891 238 Y CA -0.334 57.838 58.100 0.120 0.000 1.736 238 Y CB 0.029 38.613 38.460 0.208 0.000 1.411 238 Y HN -0.116 nan 8.280 nan 0.000 0.402 239 V N -1.145 119.010 119.914 0.402 0.000 3.158 239 V HA 0.505 4.628 4.120 0.004 0.000 0.315 239 V C -0.792 175.443 176.094 0.236 0.000 1.148 239 V CA -1.182 61.300 62.300 0.303 0.000 1.042 239 V CB 1.749 33.766 31.823 0.323 0.000 1.101 239 V HN 0.303 nan 8.190 nan 0.000 0.448 240 N N 2.657 121.472 118.700 0.193 0.000 2.430 240 N HA 0.378 5.121 4.740 0.004 0.000 0.265 240 N C -1.531 174.094 175.510 0.191 0.000 1.100 240 N CA -1.938 51.211 53.050 0.164 0.000 0.961 240 N CB 1.629 40.194 38.487 0.131 0.000 1.075 240 N HN 0.615 nan 8.380 nan 0.000 0.478 241 P HA -0.067 nan 4.420 nan 0.000 0.225 241 P C 0.237 177.665 177.300 0.213 0.000 1.148 241 P CA 1.119 64.355 63.100 0.227 0.000 0.779 241 P CB 0.496 32.337 31.700 0.235 0.000 0.780 242 E N -0.376 119.939 120.200 0.191 0.000 2.371 242 E HA 0.259 4.611 4.350 0.004 0.000 0.194 242 E C 0.972 177.692 176.600 0.200 0.000 1.012 242 E CA 0.349 56.878 56.400 0.215 0.000 0.860 242 E CB 0.014 29.847 29.700 0.221 0.000 0.811 242 E HN 0.253 nan 8.360 nan 0.000 0.502 243 G N 1.338 110.239 108.800 0.167 0.000 2.381 243 G HA2 -0.103 3.859 3.960 0.004 0.000 0.672 243 G HA3 -0.103 3.859 3.960 0.004 0.000 0.672 243 G C -3.085 171.875 174.900 0.101 0.000 1.324 243 G CA -1.345 43.834 45.100 0.131 0.000 0.975 243 G HN -0.211 nan 8.290 nan 0.000 0.593 244 P HA 0.291 nan 4.420 nan 0.000 0.262 244 P C -0.122 177.190 177.300 0.020 0.000 1.199 244 P CA 0.740 63.859 63.100 0.031 0.000 0.763 244 P CB 0.353 32.048 31.700 -0.008 0.000 0.790 245 D N 3.375 123.790 120.400 0.025 0.000 2.882 245 D HA -0.204 4.439 4.640 0.004 0.000 0.229 245 D C 1.143 177.477 176.300 0.057 0.000 1.167 245 D CA 2.013 56.032 54.000 0.031 0.000 0.759 245 D CB -1.526 39.273 40.800 -0.000 0.000 1.088 245 D HN 0.790 nan 8.370 nan 0.000 0.425 246 G N -0.584 108.266 108.800 0.084 0.000 2.157 246 G HA2 -0.309 3.654 3.960 0.004 0.000 0.248 246 G HA3 -0.309 3.654 3.960 0.004 0.000 0.248 246 G C 0.021 174.999 174.900 0.131 0.000 0.979 246 G CA 0.105 45.283 45.100 0.130 0.000 0.650 246 G HN 0.396 nan 8.290 nan 0.000 0.529 247 N N 1.708 120.443 118.700 0.058 0.000 2.414 247 N HA 0.378 5.120 4.740 0.004 0.000 0.256 247 N C -2.510 172.991 175.510 -0.014 0.000 1.029 247 N CA -1.197 51.848 53.050 -0.009 0.000 0.948 247 N CB 1.871 40.356 38.487 -0.004 0.000 1.102 247 N HN 0.124 nan 8.380 nan 0.000 0.496 248 P HA 0.052 nan 4.420 nan 0.000 0.226 248 P C -0.723 176.679 177.300 0.171 0.000 1.783 248 P CA -0.004 63.118 63.100 0.036 0.000 0.980 248 P CB -0.211 31.385 31.700 -0.173 0.000 1.967 249 D N 2.170 122.633 120.400 0.104 0.000 2.460 249 D HA 0.217 4.860 4.640 0.004 0.000 0.232 249 D C -1.753 174.577 176.300 0.049 0.000 1.079 249 D CA -2.547 51.495 54.000 0.069 0.000 0.864 249 D CB 1.500 42.318 40.800 0.030 0.000 1.048 249 D HN -0.034 nan 8.370 nan 0.000 0.523 250 P HA -0.117 nan 4.420 nan 0.000 0.219 250 P C 1.472 178.796 177.300 0.040 0.000 1.146 250 P CA 0.469 63.558 63.100 -0.017 0.000 0.808 250 P CB 0.526 32.144 31.700 -0.137 0.000 0.779 251 V N 0.078 120.008 119.914 0.027 0.000 2.346 251 V HA -0.160 3.963 4.120 0.004 0.000 0.244 251 V C 2.494 178.611 176.094 0.038 0.000 1.037 251 V CA 2.065 64.391 62.300 0.044 0.000 1.029 251 V CB -1.709 30.131 31.823 0.028 0.000 0.663 251 V HN 0.085 nan 8.190 nan 0.000 0.454 252 A N 0.256 123.094 122.820 0.029 0.000 1.902 252 A HA -0.104 4.219 4.320 0.004 0.000 0.217 252 A C 2.433 180.047 177.584 0.049 0.000 1.181 252 A CA 2.033 54.087 52.037 0.028 0.000 0.623 252 A CB -0.818 18.191 19.000 0.016 0.000 0.818 252 A HN 0.559 nan 8.150 nan 0.000 0.443 253 A N 0.007 122.867 122.820 0.067 0.000 1.908 253 A HA 0.079 4.402 4.320 0.004 0.000 0.218 253 A C 2.495 180.151 177.584 0.121 0.000 1.181 253 A CA 2.251 54.346 52.037 0.097 0.000 0.627 253 A CB -1.046 18.016 19.000 0.104 0.000 0.818 253 A HN 1.138 nan 8.150 nan 0.000 0.445 254 A N -0.637 122.255 122.820 0.121 0.000 1.978 254 A HA -0.188 4.135 4.320 0.004 0.000 0.220 254 A C 2.261 179.921 177.584 0.126 0.000 1.170 254 A CA 1.657 53.801 52.037 0.179 0.000 0.636 254 A CB -0.523 18.568 19.000 0.151 0.000 0.810 254 A HN 0.527 nan 8.150 nan 0.000 0.448 255 R N -0.324 120.218 120.500 0.071 0.000 2.081 255 R HA -0.167 4.175 4.340 0.004 0.000 0.235 255 R C 1.321 177.686 176.300 0.109 0.000 1.131 255 R CA 1.923 58.058 56.100 0.058 0.000 0.960 255 R CB -0.406 29.917 30.300 0.039 0.000 0.856 255 R HN 0.450 nan 8.270 nan 0.000 0.436 256 D N 0.431 120.908 120.400 0.129 0.000 2.117 256 D HA -0.124 4.518 4.640 0.004 0.000 0.197 256 D C 1.937 178.373 176.300 0.227 0.000 0.987 256 D CA 1.134 55.241 54.000 0.178 0.000 0.829 256 D CB -0.165 40.738 40.800 0.171 0.000 0.961 256 D HN 0.288 nan 8.370 nan 0.000 0.460 257 I N 0.382 121.086 120.570 0.224 0.000 2.179 257 I HA -0.258 3.915 4.170 0.004 0.000 0.242 257 I C 2.572 178.844 176.117 0.259 0.000 1.088 257 I CA 0.988 62.436 61.300 0.246 0.000 1.357 257 I CB -0.196 37.874 38.000 0.117 0.000 1.051 257 I HN -0.064 nan 8.210 nan 0.000 0.409 258 R N 0.831 121.471 120.500 0.233 0.000 2.081 258 R HA -0.247 4.096 4.340 0.004 0.000 0.235 258 R C 2.037 178.446 176.300 0.181 0.000 1.131 258 R CA 2.266 58.488 56.100 0.203 0.000 0.960 258 R CB -0.255 30.090 30.300 0.076 0.000 0.856 258 R HN 0.310 nan 8.270 nan 0.000 0.436 259 D N -0.643 119.857 120.400 0.168 0.000 2.097 259 D HA -0.130 4.513 4.640 0.004 0.000 0.197 259 D C 1.832 178.227 176.300 0.160 0.000 0.984 259 D CA 2.217 56.307 54.000 0.151 0.000 0.826 259 D CB -0.174 40.721 40.800 0.158 0.000 0.973 259 D HN 0.391 nan 8.370 nan 0.000 0.460 260 T N -1.993 112.681 114.554 0.199 0.000 2.737 260 T HA -0.137 4.216 4.350 0.004 0.000 0.265 260 T C 2.105 176.821 174.700 0.027 0.000 1.038 260 T CA 0.864 63.062 62.100 0.164 0.000 1.144 260 T CB -1.023 67.999 68.868 0.256 0.000 0.866 260 T HN 0.063 nan 8.240 nan 0.000 0.434 261 F N 2.422 122.285 119.950 -0.147 0.000 2.171 261 F HA 0.184 4.713 4.527 0.004 0.000 0.300 261 F C 2.952 178.722 175.800 -0.049 0.000 1.090 261 F CA 0.637 58.504 58.000 -0.221 0.000 1.293 261 F CB -0.915 37.973 39.000 -0.187 0.000 1.013 261 F HN 0.274 nan 8.300 nan 0.000 0.486 262 A N 0.019 122.943 122.820 0.174 0.000 1.933 262 A HA -0.201 4.121 4.320 0.004 0.000 0.218 262 A C 2.222 179.858 177.584 0.087 0.000 1.175 262 A CA 1.544 53.656 52.037 0.125 0.000 0.628 262 A CB -0.628 18.439 19.000 0.113 0.000 0.814 262 A HN 0.336 nan 8.150 nan 0.000 0.444 263 R N -0.995 119.546 120.500 0.068 0.000 2.280 263 R HA 0.142 4.485 4.340 0.004 0.000 0.207 263 R C 0.839 177.150 176.300 0.018 0.000 1.043 263 R CA 0.816 56.937 56.100 0.036 0.000 1.006 263 R CB -0.118 30.207 30.300 0.042 0.000 0.885 263 R HN 0.518 nan 8.270 nan 0.000 0.467 264 M N -0.521 119.107 119.600 0.047 0.000 2.576 264 M HA 0.296 4.779 4.480 0.004 0.000 0.322 264 M C 0.222 176.642 176.300 0.200 0.000 1.184 264 M CA -0.130 55.257 55.300 0.145 0.000 0.967 264 M CB 1.230 33.915 32.600 0.142 0.000 1.372 264 M HN 0.134 nan 8.290 nan 0.000 0.509 265 A N 0.303 123.213 122.820 0.150 0.000 3.028 265 A HA -0.137 4.185 4.320 0.004 0.000 0.248 265 A C 0.010 177.652 177.584 0.097 0.000 1.316 265 A CA 0.810 52.931 52.037 0.141 0.000 1.003 265 A CB -1.444 17.668 19.000 0.187 0.000 1.148 265 A HN 0.483 nan 8.150 nan 0.000 0.828 266 M N 0.924 120.598 119.600 0.123 0.000 2.294 266 M HA 0.403 4.886 4.480 0.004 0.000 0.335 266 M C 0.414 176.813 176.300 0.166 0.000 1.079 266 M CA -0.781 54.611 55.300 0.153 0.000 0.982 266 M CB 1.244 34.000 32.600 0.259 0.000 1.651 266 M HN 0.674 nan 8.290 nan 0.000 0.437 267 N N 1.279 120.064 118.700 0.141 0.000 2.418 267 N HA 0.198 4.941 4.740 0.004 0.000 0.283 267 N C 0.160 175.757 175.510 0.146 0.000 1.267 267 N CA -0.229 52.901 53.050 0.133 0.000 0.975 267 N CB 0.416 38.972 38.487 0.115 0.000 1.167 267 N HN 0.366 nan 8.380 nan 0.000 0.581 268 D N -0.707 119.784 120.400 0.151 0.000 2.097 268 D HA -0.181 4.461 4.640 0.004 0.000 0.195 268 D C 1.399 177.791 176.300 0.153 0.000 0.989 268 D CA 1.393 55.529 54.000 0.226 0.000 0.827 268 D CB -0.221 40.691 40.800 0.187 0.000 0.966 268 D HN 0.815 nan 8.370 nan 0.000 0.456 269 E N 0.505 120.782 120.200 0.127 0.000 2.077 269 E HA -0.191 4.162 4.350 0.004 0.000 0.193 269 E C 1.728 178.468 176.600 0.232 0.000 0.989 269 E CA 0.986 57.480 56.400 0.155 0.000 0.800 269 E CB 0.106 29.909 29.700 0.172 0.000 0.746 269 E HN 0.306 nan 8.360 nan 0.000 0.452 270 E N -0.373 119.936 120.200 0.182 0.000 2.077 270 E HA -0.142 4.210 4.350 0.004 0.000 0.193 270 E C 2.113 178.787 176.600 0.123 0.000 0.989 270 E CA 1.619 58.127 56.400 0.179 0.000 0.800 270 E CB -0.021 29.767 29.700 0.147 0.000 0.746 270 E HN 0.240 nan 8.360 nan 0.000 0.452 271 T N 0.789 115.354 114.554 0.019 0.000 2.674 271 T HA -0.136 4.217 4.350 0.004 0.000 0.265 271 T C 2.127 176.594 174.700 -0.388 0.000 1.039 271 T CA 1.209 63.133 62.100 -0.293 0.000 1.150 271 T CB -0.268 68.330 68.868 -0.451 0.000 0.864 271 T HN -0.026 nan 8.240 nan 0.000 0.427 272 V N 1.808 121.562 119.914 -0.267 0.000 2.295 272 V HA -0.190 3.933 4.120 0.004 0.000 0.246 272 V C 2.904 179.049 176.094 0.085 0.000 1.049 272 V CA 1.751 63.945 62.300 -0.177 0.000 1.024 272 V CB -1.275 30.510 31.823 -0.063 0.000 0.648 272 V HN 0.540 nan 8.190 nan 0.000 0.447 273 A N -0.362 122.658 122.820 0.333 0.000 1.908 273 A HA -0.176 4.146 4.320 0.004 0.000 0.218 273 A C 2.240 179.862 177.584 0.063 0.000 1.181 273 A CA 1.933 54.197 52.037 0.379 0.000 0.627 273 A CB -0.542 18.696 19.000 0.397 0.000 0.818 273 A HN 0.498 nan 8.150 nan 0.000 0.445 274 L N -0.767 120.475 121.223 0.031 0.000 2.027 274 L HA -0.149 4.193 4.340 0.004 0.000 0.206 274 L C 2.521 179.133 176.870 -0.430 0.000 1.074 274 L CA 1.258 56.076 54.840 -0.037 0.000 0.745 274 L CB -0.434 41.671 42.059 0.075 0.000 0.898 274 L HN 0.387 nan 8.230 nan 0.000 0.433 275 I N -0.353 119.900 120.570 -0.529 0.000 2.202 275 I HA -0.248 3.924 4.170 0.004 0.000 0.242 275 I C 2.771 178.248 176.117 -1.067 0.000 1.091 275 I CA 1.175 62.002 61.300 -0.788 0.000 1.368 275 I CB -0.463 37.125 38.000 -0.687 0.000 1.058 275 I HN 0.174 nan 8.210 nan 0.000 0.410 276 A N 0.902 123.118 122.820 -1.005 0.000 1.930 276 A HA -0.089 4.234 4.320 0.004 0.000 0.217 276 A C 2.408 179.335 177.584 -1.095 0.000 1.175 276 A CA 1.813 52.909 52.037 -1.568 0.000 0.627 276 A CB -1.369 16.871 19.000 -1.267 0.000 0.815 276 A HN 0.466 nan 8.150 nan 0.000 0.443 277 G N -0.489 107.771 108.800 -0.901 0.000 2.433 277 G HA2 0.044 4.007 3.960 0.004 0.000 0.216 277 G HA3 0.044 4.007 3.960 0.004 0.000 0.216 277 G C 1.556 175.834 174.900 -1.038 0.000 1.186 277 G CA 1.230 45.398 45.100 -1.552 0.000 0.779 277 G HN 0.679 nan 8.290 nan 0.000 0.543 278 G N -0.176 108.136 108.800 -0.813 0.000 2.421 278 G HA2 -0.185 3.778 3.960 0.004 0.000 0.216 278 G HA3 -0.185 3.778 3.960 0.004 0.000 0.216 278 G C 1.422 176.140 174.900 -0.302 0.000 1.171 278 G CA 0.834 45.730 45.100 -0.339 0.000 0.775 278 G HN 0.656 nan 8.290 nan 0.000 0.543 279 H N -0.134 118.407 119.070 -0.882 0.000 2.547 279 H HA 0.125 4.684 4.556 0.005 0.000 0.274 279 H C 1.995 176.809 175.328 -0.857 0.000 1.024 279 H CA 0.123 55.351 56.048 -1.367 0.000 1.155 279 H CB 0.383 28.987 29.762 -1.931 0.000 1.344 279 H HN 0.243 nan 8.280 nan 0.000 0.598 280 T N 0.328 114.533 114.554 -0.582 0.000 2.995 280 T HA -0.048 4.305 4.350 0.004 0.000 0.269 280 T C 0.122 174.498 174.700 -0.541 0.000 1.091 280 T CA 0.879 62.641 62.100 -0.564 0.000 1.128 280 T CB -0.013 68.341 68.868 -0.856 0.000 0.891 280 T HN 0.096 nan 8.240 nan 0.000 0.492 281 F N 0.163 120.092 119.950 -0.035 0.000 2.522 281 F HA 0.586 5.116 4.527 0.004 0.000 0.324 281 F C 1.224 177.147 175.800 0.206 0.000 1.077 281 F CA -0.528 57.499 58.000 0.045 0.000 0.944 281 F CB 1.385 40.398 39.000 0.021 0.000 1.175 281 F HN 0.230 nan 8.300 nan 0.000 0.468 282 G N 2.404 111.417 108.800 0.354 0.000 2.562 282 G HA2 -0.079 3.884 3.960 0.004 0.000 0.250 282 G HA3 -0.079 3.884 3.960 0.004 0.000 0.250 282 G C -1.077 174.080 174.900 0.429 0.000 1.269 282 G CA -0.023 45.317 45.100 0.399 0.000 0.919 282 G HN 1.048 nan 8.290 nan 0.000 0.574 283 K N -1.853 118.744 120.400 0.329 0.000 2.578 283 K HA 0.725 5.047 4.320 0.004 0.000 0.287 283 K C -0.106 176.331 176.600 -0.271 0.000 1.010 283 K CA -0.174 56.036 56.287 -0.128 0.000 0.889 283 K CB 1.263 33.686 32.500 -0.128 0.000 1.514 283 K HN 1.408 nan 8.250 nan 0.000 0.424 284 T N -1.401 112.838 114.554 -0.524 0.000 2.862 284 T HA 0.461 4.813 4.350 0.004 0.000 0.276 284 T C -0.707 173.609 174.700 -0.639 0.000 0.974 284 T CA -0.393 61.494 62.100 -0.355 0.000 0.966 284 T CB 0.577 69.302 68.868 -0.238 0.000 1.072 284 T HN 0.660 nan 8.240 nan 0.000 0.538 285 H N -1.189 117.864 119.070 -0.028 0.000 2.924 285 H HA 0.612 5.170 4.556 0.004 0.000 0.333 285 H C 0.308 175.609 175.328 -0.044 0.000 0.979 285 H CA -0.606 55.428 56.048 -0.023 0.000 1.326 285 H CB 1.624 31.412 29.762 0.042 0.000 1.600 285 H HN 1.059 nan 8.280 nan 0.000 0.520 286 G N 1.270 110.066 108.800 -0.007 0.000 4.973 286 G HA2 0.381 4.343 3.960 0.004 0.000 0.211 286 G HA3 0.381 4.343 3.960 0.004 0.000 0.211 286 G C 0.773 175.603 174.900 -0.117 0.000 0.784 286 G CA 0.130 45.193 45.100 -0.062 0.000 0.657 286 G HN 0.718 nan 8.290 nan 0.000 0.480 287 A N -0.379 122.378 122.820 -0.104 0.000 2.119 287 A HA 0.618 4.941 4.320 0.004 0.000 0.217 287 A C 1.397 178.738 177.584 -0.406 0.000 1.153 287 A CA 1.435 53.401 52.037 -0.118 0.000 0.692 287 A CB 0.132 19.171 19.000 0.065 0.000 0.799 287 A HN 1.308 nan 8.150 nan 0.000 0.458 288 G N -2.109 106.289 108.800 -0.670 0.000 2.687 288 G HA2 0.518 4.480 3.960 0.004 0.000 0.291 288 G HA3 0.518 4.480 3.960 0.004 0.000 0.291 288 G C -3.488 171.114 174.900 -0.497 0.000 1.420 288 G CA -1.326 43.167 45.100 -1.011 0.000 0.796 288 G HN -0.106 nan 8.290 nan 0.000 0.485 289 P HA 0.237 nan 4.420 nan 0.000 0.265 289 P C 0.806 178.037 177.300 -0.115 0.000 1.193 289 P CA 0.505 63.503 63.100 -0.171 0.000 0.765 289 P CB 1.208 32.846 31.700 -0.104 0.000 0.823 290 A N 3.218 125.994 122.820 -0.073 0.000 2.070 290 A HA -0.171 4.152 4.320 0.004 0.000 0.220 290 A C 2.053 179.641 177.584 0.006 0.000 1.159 290 A CA 1.921 53.941 52.037 -0.028 0.000 0.656 290 A CB -1.462 17.527 19.000 -0.020 0.000 0.800 290 A HN 0.599 nan 8.150 nan 0.000 0.453 291 S N 0.570 116.270 115.700 0.000 0.000 2.442 291 S HA -0.174 4.298 4.470 0.004 0.000 0.236 291 S C 1.530 176.153 174.600 0.040 0.000 1.007 291 S CA 1.159 59.371 58.200 0.020 0.000 0.965 291 S CB -0.662 62.546 63.200 0.013 0.000 0.773 291 S HN 0.642 nan 8.310 nan 0.000 0.504 292 N N 1.278 120.005 118.700 0.045 0.000 2.381 292 N HA 0.024 4.766 4.740 0.004 0.000 0.182 292 N C 0.003 175.572 175.510 0.098 0.000 1.025 292 N CA 0.556 53.656 53.050 0.085 0.000 0.888 292 N CB -0.172 38.391 38.487 0.127 0.000 0.965 292 N HN 0.321 nan 8.380 nan 0.000 0.438 293 V N 1.079 121.051 119.914 0.096 0.000 2.461 293 V HA 0.349 4.472 4.120 0.004 0.000 0.275 293 V C 1.124 177.292 176.094 0.124 0.000 1.047 293 V CA -0.625 61.758 62.300 0.137 0.000 0.955 293 V CB 1.083 33.002 31.823 0.160 0.000 0.988 293 V HN 0.096 nan 8.190 nan 0.000 0.471 294 G N 2.958 111.825 108.800 0.112 0.000 2.509 294 G HA2 0.586 4.548 3.960 0.004 0.000 0.269 294 G HA3 0.586 4.548 3.960 0.004 0.000 0.269 294 G C 0.163 175.049 174.900 -0.023 0.000 1.416 294 G CA -0.223 44.902 45.100 0.043 0.000 1.052 294 G HN 1.076 nan 8.290 nan 0.000 0.542 295 A N 0.108 122.869 122.820 -0.100 0.000 2.540 295 A HA 0.390 4.713 4.320 0.004 0.000 0.239 295 A C 0.984 178.288 177.584 -0.467 0.000 1.061 295 A CA -0.059 51.858 52.037 -0.200 0.000 0.758 295 A CB -0.066 18.840 19.000 -0.157 0.000 0.991 295 A HN 0.724 nan 8.150 nan 0.000 0.502 296 E N 3.061 122.878 120.200 -0.639 0.000 2.422 296 E HA 0.029 4.382 4.350 0.004 0.000 0.260 296 E C -2.144 173.952 176.600 -0.840 0.000 1.108 296 E CA -1.077 54.601 56.400 -1.203 0.000 0.943 296 E CB -0.389 28.817 29.700 -0.823 0.000 0.961 296 E HN 0.344 nan 8.360 nan 0.000 0.443 297 P HA -0.184 nan 4.420 nan 0.000 0.216 297 P C 0.965 178.068 177.300 -0.328 0.000 1.154 297 P CA 1.497 64.276 63.100 -0.534 0.000 0.865 297 P CB 0.179 31.599 31.700 -0.467 0.000 0.789 298 E N -1.201 118.835 120.200 -0.273 0.000 2.347 298 E HA -0.009 4.344 4.350 0.004 0.000 0.196 298 E C 1.656 178.183 176.600 -0.123 0.000 1.008 298 E CA 0.878 57.188 56.400 -0.150 0.000 0.852 298 E CB -0.342 29.312 29.700 -0.078 0.000 0.783 298 E HN 0.223 nan 8.360 nan 0.000 0.505 299 A N 0.498 123.221 122.820 -0.162 0.000 2.303 299 A HA 0.444 4.767 4.320 0.004 0.000 0.217 299 A C 1.190 178.694 177.584 -0.132 0.000 1.205 299 A CA 0.313 52.279 52.037 -0.118 0.000 0.875 299 A CB 0.259 19.199 19.000 -0.100 0.000 0.910 299 A HN 0.136 nan 8.150 nan 0.000 0.501 300 A N 0.057 122.772 122.820 -0.176 0.000 2.313 300 A HA 0.550 4.873 4.320 0.004 0.000 0.261 300 A C 0.980 178.497 177.584 -0.113 0.000 1.090 300 A CA 0.170 52.113 52.037 -0.156 0.000 0.807 300 A CB -0.355 18.526 19.000 -0.198 0.000 1.055 300 A HN 0.865 nan 8.150 nan 0.000 0.492 301 G N -0.617 108.128 108.800 -0.091 0.000 2.559 301 G HA2 0.300 4.262 3.960 0.004 0.000 0.235 301 G HA3 0.300 4.262 3.960 0.004 0.000 0.235 301 G C 0.870 175.723 174.900 -0.079 0.000 1.266 301 G CA 0.046 45.102 45.100 -0.072 0.000 0.847 301 G HN 0.841 nan 8.290 nan 0.000 0.583 302 I N 0.337 120.867 120.570 -0.067 0.000 2.335 302 I HA -0.167 4.005 4.170 0.004 0.000 0.251 302 I C 2.808 178.881 176.117 -0.073 0.000 1.129 302 I CA 1.724 62.983 61.300 -0.068 0.000 1.402 302 I CB 0.030 37.998 38.000 -0.054 0.000 1.069 302 I HN 0.770 nan 8.210 nan 0.000 0.424 303 E N 1.357 121.519 120.200 -0.064 0.000 2.338 303 E HA -0.191 4.161 4.350 0.004 0.000 0.197 303 E C 1.812 178.365 176.600 -0.079 0.000 1.007 303 E CA 1.193 57.555 56.400 -0.063 0.000 0.849 303 E CB -0.386 29.285 29.700 -0.048 0.000 0.774 303 E HN 0.534 nan 8.360 nan 0.000 0.506 304 A N 0.947 123.713 122.820 -0.090 0.000 2.168 304 A HA -0.106 4.217 4.320 0.004 0.000 0.215 304 A C 0.875 178.377 177.584 -0.137 0.000 1.152 304 A CA 0.589 52.561 52.037 -0.109 0.000 0.716 304 A CB -0.207 18.722 19.000 -0.118 0.000 0.794 304 A HN 0.193 nan 8.150 nan 0.000 0.465 305 Q N -2.341 117.380 119.800 -0.131 0.000 2.452 305 Q HA -0.254 4.089 4.340 0.004 0.000 0.318 305 Q C 0.929 176.822 176.000 -0.178 0.000 1.386 305 Q CA 1.262 56.976 55.803 -0.148 0.000 0.872 305 Q CB -2.338 26.308 28.738 -0.152 0.000 1.151 305 Q HN 1.746 nan 8.270 nan 0.000 0.417 306 G N -1.577 107.118 108.800 -0.175 0.000 2.195 306 G HA2 -0.295 3.667 3.960 0.004 0.000 0.246 306 G HA3 -0.295 3.667 3.960 0.004 0.000 0.246 306 G C 0.218 174.992 174.900 -0.209 0.000 0.984 306 G CA 0.311 45.294 45.100 -0.196 0.000 0.633 306 G HN 0.320 nan 8.290 nan 0.000 0.525 307 L N 0.078 121.182 121.223 -0.198 0.000 2.387 307 L HA 0.811 5.153 4.340 0.004 0.000 0.266 307 L C 0.995 177.735 176.870 -0.217 0.000 1.059 307 L CA -0.339 54.392 54.840 -0.183 0.000 0.801 307 L CB 1.620 43.585 42.059 -0.157 0.000 1.223 307 L HN 0.297 nan 8.230 nan 0.000 0.456 308 G N -2.046 106.625 108.800 -0.215 0.000 2.788 308 G HA2 0.424 4.387 3.960 0.004 0.000 0.293 308 G HA3 0.424 4.387 3.960 0.004 0.000 0.293 308 G C -1.379 173.474 174.900 -0.079 0.000 1.392 308 G CA -0.449 44.418 45.100 -0.387 0.000 0.810 308 G HN 0.717 nan 8.290 nan 0.000 0.508 309 W N -0.111 121.140 121.300 -0.081 0.000 5.121 309 W HA -0.166 4.497 4.660 0.004 0.000 0.372 309 W C 0.687 177.202 176.519 -0.006 0.000 1.394 309 W CA 0.715 58.029 57.345 -0.052 0.000 0.885 309 W CB -1.112 28.303 29.460 -0.075 0.000 2.520 309 W HN 0.591 nan 8.180 nan 0.000 1.455 310 K N 1.643 122.121 120.400 0.131 0.000 2.447 310 K HA 0.206 4.528 4.320 0.004 0.000 0.281 310 K C 0.546 177.234 176.600 0.147 0.000 1.031 310 K CA 0.459 56.824 56.287 0.130 0.000 1.019 310 K CB 0.732 33.270 32.500 0.064 0.000 0.918 310 K HN -0.019 nan 8.250 nan 0.000 0.476 311 S N 2.892 118.699 115.700 0.177 0.000 2.475 311 S HA 0.456 4.929 4.470 0.004 0.000 0.298 311 S C 0.422 175.105 174.600 0.137 0.000 1.119 311 S CA -0.453 57.848 58.200 0.169 0.000 1.085 311 S CB 1.558 64.883 63.200 0.208 0.000 1.028 311 S HN 0.669 nan 8.310 nan 0.000 0.489 312 A N 4.136 127.031 122.820 0.125 0.000 2.251 312 A HA 0.205 4.527 4.320 0.004 0.000 0.209 312 A C 0.198 177.850 177.584 0.114 0.000 1.187 312 A CA 0.028 52.123 52.037 0.096 0.000 0.823 312 A CB -0.390 18.657 19.000 0.077 0.000 0.846 312 A HN 0.844 nan 8.150 nan 0.000 0.486 313 Y N 2.221 122.535 120.300 0.023 0.000 2.539 313 Y HA 0.355 4.908 4.550 0.004 0.000 0.352 313 Y C 1.002 176.896 175.900 -0.010 0.000 1.004 313 Y CA -0.505 57.598 58.100 0.006 0.000 1.278 313 Y CB -0.400 38.064 38.460 0.006 0.000 1.136 313 Y HN 0.546 nan 8.280 nan 0.000 0.528 314 R N 0.504 120.706 120.500 -0.496 0.000 3.853 314 R HA -0.339 4.004 4.340 0.004 0.000 0.440 314 R C 1.598 177.775 176.300 -0.205 0.000 0.241 314 R CA 2.443 58.284 56.100 -0.432 0.000 1.395 314 R CB -1.712 28.185 30.300 -0.671 0.000 0.984 314 R HN 0.757 nan 8.270 nan 0.000 0.570 315 T N -0.795 113.649 114.554 -0.184 0.000 3.072 315 T HA 0.159 4.511 4.350 0.004 0.000 0.266 315 T C 1.417 176.088 174.700 -0.048 0.000 1.127 315 T CA 1.364 63.397 62.100 -0.112 0.000 1.107 315 T CB 0.116 68.895 68.868 -0.147 0.000 0.910 315 T HN 1.293 nan 8.240 nan 0.000 0.513 316 G N 1.895 110.685 108.800 -0.017 0.000 2.148 316 G HA2 -0.256 3.707 3.960 0.004 0.000 0.254 316 G HA3 -0.256 3.707 3.960 0.004 0.000 0.254 316 G C -0.073 174.879 174.900 0.087 0.000 0.981 316 G CA 0.624 45.777 45.100 0.088 0.000 0.670 316 G HN 1.053 nan 8.290 nan 0.000 0.528 317 K N -2.474 117.859 120.400 -0.112 0.000 2.672 317 K HA 0.636 4.959 4.320 0.004 0.000 0.295 317 K C 1.168 177.419 176.600 -0.583 0.000 1.042 317 K CA -0.084 55.940 56.287 -0.439 0.000 0.869 317 K CB 0.787 33.107 32.500 -0.299 0.000 1.541 317 K HN 1.717 nan 8.250 nan 0.000 0.396 318 G N 0.824 109.106 108.800 -0.863 0.000 2.660 318 G HA2 -0.462 3.501 3.960 0.004 0.000 0.321 318 G HA3 -0.462 3.501 3.960 0.004 0.000 0.321 318 G C 1.132 175.548 174.900 -0.807 0.000 1.246 318 G CA 2.021 46.564 45.100 -0.929 0.000 1.000 318 G HN 1.380 nan 8.290 nan 0.000 0.550 319 A N -0.803 121.295 122.820 -1.203 0.000 2.076 319 A HA 0.062 4.385 4.320 0.004 0.000 0.220 319 A C 1.774 179.248 177.584 -0.183 0.000 1.160 319 A CA 2.531 54.273 52.037 -0.492 0.000 0.653 319 A CB -0.304 18.448 19.000 -0.414 0.000 0.801 319 A HN 0.596 nan 8.150 nan 0.000 0.455 320 D N -0.354 119.926 120.400 -0.199 0.000 2.363 320 D HA 0.350 4.992 4.640 0.004 0.000 0.214 320 D C 0.603 176.951 176.300 0.079 0.000 1.093 320 D CA 0.546 54.558 54.000 0.020 0.000 0.837 320 D CB -0.030 40.743 40.800 -0.044 0.000 0.948 320 D HN 0.419 nan 8.370 nan 0.000 0.507 321 A N 0.914 123.709 122.820 -0.041 0.000 2.498 321 A HA 0.322 4.645 4.320 0.004 0.000 0.239 321 A C 0.213 177.873 177.584 0.127 0.000 1.068 321 A CA 0.281 52.316 52.037 -0.003 0.000 0.766 321 A CB 0.098 18.999 19.000 -0.165 0.000 1.003 321 A HN 0.183 nan 8.150 nan 0.000 0.497 322 I N 2.542 123.204 120.570 0.153 0.000 2.439 322 I HA 0.309 4.482 4.170 0.004 0.000 0.285 322 I C 0.544 176.720 176.117 0.097 0.000 1.021 322 I CA -0.201 61.161 61.300 0.103 0.000 1.091 322 I CB 2.252 40.278 38.000 0.042 0.000 1.242 322 I HN 0.783 nan 8.210 nan 0.000 0.439 323 T N 1.328 115.929 114.554 0.078 0.000 3.393 323 T HA -0.018 4.334 4.350 0.004 0.000 0.231 323 T C 1.589 176.249 174.700 -0.067 0.000 0.983 323 T CA 0.849 62.932 62.100 -0.029 0.000 1.272 323 T CB 0.050 68.940 68.868 0.038 0.000 1.214 323 T HN 0.627 nan 8.240 nan 0.000 0.368 324 S N 0.391 116.096 115.700 0.008 0.000 2.458 324 S HA 0.382 4.855 4.470 0.004 0.000 0.223 324 S C 1.915 176.510 174.600 -0.008 0.000 1.019 324 S CA 1.010 59.212 58.200 0.002 0.000 0.937 324 S CB -0.006 63.227 63.200 0.056 0.000 0.788 324 S HN 0.990 nan 8.310 nan 0.000 0.511 325 G N 0.649 109.441 108.800 -0.013 0.000 2.194 325 G HA2 -0.192 3.771 3.960 0.004 0.000 0.236 325 G HA3 -0.192 3.771 3.960 0.004 0.000 0.236 325 G C -0.108 174.758 174.900 -0.057 0.000 0.987 325 G CA 0.112 45.186 45.100 -0.043 0.000 0.635 325 G HN 0.504 nan 8.290 nan 0.000 0.520 326 L N 0.345 121.543 121.223 -0.041 0.000 2.399 326 L HA 0.729 5.071 4.340 0.004 0.000 0.266 326 L C 0.399 177.196 176.870 -0.121 0.000 1.114 326 L CA -0.675 54.124 54.840 -0.067 0.000 0.804 326 L CB 1.525 43.564 42.059 -0.033 0.000 1.146 326 L HN 0.114 nan 8.230 nan 0.000 0.451 327 E N 1.953 122.056 120.200 -0.161 0.000 2.795 327 E HA 0.445 4.798 4.350 0.004 0.000 0.226 327 E C -1.702 174.725 176.600 -0.289 0.000 1.088 327 E CA -0.196 56.070 56.400 -0.223 0.000 0.812 327 E CB 0.976 30.564 29.700 -0.187 0.000 1.328 327 E HN 0.232 nan 8.360 nan 0.000 0.410 328 V N 2.815 122.482 119.914 -0.412 0.000 2.638 328 V HA 0.592 4.715 4.120 0.004 0.000 0.306 328 V C -0.423 175.188 176.094 -0.804 0.000 1.052 328 V CA -0.700 61.260 62.300 -0.567 0.000 0.885 328 V CB 2.384 33.829 31.823 -0.630 0.000 0.999 328 V HN 0.560 nan 8.190 nan 0.000 0.424 329 T N 4.109 118.285 114.554 -0.630 0.000 2.840 329 T HA 0.321 4.673 4.350 0.004 0.000 0.287 329 T C 0.355 174.858 174.700 -0.329 0.000 0.991 329 T CA -0.421 61.388 62.100 -0.484 0.000 0.964 329 T CB 1.127 69.915 68.868 -0.134 0.000 0.954 329 T HN 0.721 nan 8.240 nan 0.000 0.438 330 W N 2.459 123.745 121.300 -0.024 0.000 2.494 330 W HA 0.053 4.716 4.660 0.005 0.000 0.286 330 W C 1.361 177.865 176.519 -0.026 0.000 1.218 330 W CA 0.403 57.738 57.345 -0.017 0.000 1.313 330 W CB -0.257 29.245 29.460 0.071 0.000 1.105 330 W HN 0.607 nan 8.180 nan 0.000 0.561 331 T N -3.470 111.192 114.554 0.180 0.000 2.907 331 T HA 0.290 4.643 4.350 0.004 0.000 0.290 331 T C 0.967 175.666 174.700 -0.002 0.000 1.066 331 T CA 0.027 62.163 62.100 0.059 0.000 1.012 331 T CB 2.217 71.073 68.868 -0.021 0.000 1.184 331 T HN -0.058 nan 8.240 nan 0.000 0.522 332 T N -1.730 112.817 114.554 -0.011 0.000 3.085 332 T HA 0.121 4.474 4.350 0.004 0.000 0.263 332 T C 0.983 175.641 174.700 -0.069 0.000 1.127 332 T CA 0.821 62.910 62.100 -0.019 0.000 1.103 332 T CB -0.747 68.123 68.868 0.003 0.000 0.921 332 T HN 1.042 nan 8.240 nan 0.000 0.510 333 T N -0.955 113.530 114.554 -0.115 0.000 3.305 333 T HA 0.486 4.839 4.350 0.004 0.000 0.348 333 T C -2.643 171.924 174.700 -0.222 0.000 1.394 333 T CA -1.478 60.528 62.100 -0.157 0.000 1.549 333 T CB 1.513 70.313 68.868 -0.113 0.000 0.962 333 T HN -0.105 nan 8.240 nan 0.000 0.609 334 P HA -0.023 nan 4.420 nan 0.000 0.228 334 P C 1.375 178.533 177.300 -0.237 0.000 1.151 334 P CA 0.919 63.781 63.100 -0.396 0.000 0.770 334 P CB -0.014 31.116 31.700 -0.949 0.000 0.786 335 T N -5.581 108.827 114.554 -0.244 0.000 3.134 335 T HA 0.268 4.621 4.350 0.004 0.000 0.260 335 T C 0.345 175.033 174.700 -0.020 0.000 1.027 335 T CA -0.289 61.718 62.100 -0.155 0.000 0.913 335 T CB -0.296 68.436 68.868 -0.228 0.000 1.046 335 T HN 0.054 nan 8.240 nan 0.000 0.553 336 Q N 0.446 120.280 119.800 0.057 0.000 2.331 336 Q HA 0.315 4.657 4.340 0.004 0.000 0.272 336 Q C -1.274 174.809 176.000 0.139 0.000 1.062 336 Q CA -0.958 54.928 55.803 0.139 0.000 0.806 336 Q CB 2.049 30.813 28.738 0.043 0.000 1.312 336 Q HN 0.538 nan 8.270 nan 0.000 0.431 337 W N 3.350 124.731 121.300 0.134 0.000 2.257 337 W HA 0.190 4.852 4.660 0.004 0.000 0.337 337 W C -0.578 175.867 176.519 -0.124 0.000 1.321 337 W CA 1.001 58.335 57.345 -0.019 0.000 1.267 337 W CB 0.754 30.368 29.460 0.256 0.000 1.187 337 W HN 0.764 nan 8.180 nan 0.000 0.565 338 S N 3.403 118.491 115.700 -1.019 0.000 2.656 338 S HA 0.338 4.811 4.470 0.004 0.000 0.273 338 S C -0.805 173.227 174.600 -0.946 0.000 1.168 338 S CA -0.872 56.811 58.200 -0.862 0.000 0.817 338 S CB 1.710 64.643 63.200 -0.445 0.000 1.146 338 S HN 0.620 nan 8.310 nan 0.000 0.475 339 H N 0.260 119.118 119.070 -0.353 0.000 2.487 339 H HA 0.415 4.974 4.556 0.004 0.000 0.290 339 H C 1.406 176.729 175.328 -0.009 0.000 1.081 339 H CA -0.264 55.713 56.048 -0.118 0.000 1.116 339 H CB 0.016 29.807 29.762 0.048 0.000 1.560 339 H HN 0.635 nan 8.280 nan 0.000 0.548 340 N N 0.536 119.222 118.700 -0.023 0.000 2.409 340 N HA -0.123 4.619 4.740 0.004 0.000 0.179 340 N C 1.450 176.975 175.510 0.025 0.000 1.032 340 N CA 0.183 53.243 53.050 0.016 0.000 0.898 340 N CB 0.138 38.606 38.487 -0.031 0.000 0.971 340 N HN 0.262 nan 8.380 nan 0.000 0.441 341 F N 1.009 120.851 119.950 -0.180 0.000 2.046 341 F HA -0.142 4.388 4.527 0.004 0.000 0.297 341 F C 1.616 177.244 175.800 -0.287 0.000 1.123 341 F CA 1.690 59.515 58.000 -0.291 0.000 1.199 341 F CB -0.540 38.124 39.000 -0.559 0.000 0.972 341 F HN -0.042 nan 8.300 nan 0.000 0.474 342 F N 0.619 120.593 119.950 0.040 0.000 2.259 342 F HA -0.108 4.421 4.527 0.004 0.000 0.298 342 F C 2.323 177.922 175.800 -0.335 0.000 1.088 342 F CA 1.097 59.001 58.000 -0.161 0.000 1.358 342 F CB -0.498 38.484 39.000 -0.030 0.000 1.040 342 F HN 0.030 nan 8.300 nan 0.000 0.505 343 E N 0.377 120.578 120.200 0.001 0.000 2.058 343 E HA -0.226 4.127 4.350 0.004 0.000 0.194 343 E C 1.819 178.408 176.600 -0.018 0.000 0.997 343 E CA 1.424 57.832 56.400 0.014 0.000 0.801 343 E CB -0.209 29.568 29.700 0.128 0.000 0.746 343 E HN 0.360 nan 8.360 nan 0.000 0.450 344 N N 0.697 119.413 118.700 0.027 0.000 2.171 344 N HA -0.126 4.616 4.740 0.004 0.000 0.184 344 N C 1.855 177.551 175.510 0.310 0.000 1.021 344 N CA 0.533 53.718 53.050 0.225 0.000 0.854 344 N CB -0.403 38.251 38.487 0.277 0.000 0.994 344 N HN 0.058 nan 8.380 nan 0.000 0.426 345 L N 0.053 121.235 121.223 -0.069 0.000 2.013 345 L HA -0.078 4.265 4.340 0.004 0.000 0.212 345 L C 1.638 178.456 176.870 -0.087 0.000 1.073 345 L CA 1.694 56.402 54.840 -0.220 0.000 0.753 345 L CB -0.577 41.056 42.059 -0.709 0.000 0.890 345 L HN 0.079 nan 8.230 nan 0.000 0.432 346 F N -1.566 118.371 119.950 -0.022 0.000 2.619 346 F HA 0.175 4.705 4.527 0.004 0.000 0.293 346 F C 2.228 177.987 175.800 -0.067 0.000 1.119 346 F CA 0.459 58.421 58.000 -0.064 0.000 1.445 346 F CB -0.364 38.531 39.000 -0.174 0.000 1.119 346 F HN 0.150 nan 8.300 nan 0.000 0.573 347 G N -1.272 107.534 108.800 0.011 0.000 2.712 347 G HA2 -0.003 3.959 3.960 0.004 0.000 0.212 347 G HA3 -0.003 3.959 3.960 0.004 0.000 0.212 347 G C -0.146 174.448 174.900 -0.510 0.000 1.142 347 G CA 0.304 45.246 45.100 -0.264 0.000 0.789 347 G HN 0.249 nan 8.290 nan 0.000 0.535 348 Y N -0.506 119.706 120.300 -0.146 0.000 2.570 348 Y HA 0.536 5.088 4.550 0.004 0.000 0.345 348 Y C -0.131 175.477 175.900 -0.488 0.000 1.014 348 Y CA -1.374 56.476 58.100 -0.417 0.000 1.063 348 Y CB 1.585 39.542 38.460 -0.838 0.000 1.272 348 Y HN -0.185 nan 8.280 nan 0.000 0.477 349 E N 0.746 120.799 120.200 -0.245 0.000 2.283 349 E HA 0.195 4.547 4.350 0.004 0.000 0.271 349 E C -1.587 174.775 176.600 -0.396 0.000 1.031 349 E CA -0.542 55.755 56.400 -0.171 0.000 0.868 349 E CB 1.096 30.799 29.700 0.006 0.000 1.094 349 E HN 0.532 nan 8.360 nan 0.000 0.401 350 W N 0.603 122.016 121.300 0.190 0.000 2.632 350 W HA 0.363 5.026 4.660 0.004 0.000 0.328 350 W C 0.258 177.001 176.519 0.374 0.000 1.044 350 W CA -0.628 56.866 57.345 0.248 0.000 1.225 350 W CB 1.390 30.962 29.460 0.186 0.000 1.396 350 W HN 0.345 nan 8.180 nan 0.000 0.499 351 E N 2.362 122.910 120.200 0.580 0.000 2.176 351 E HA 0.362 4.714 4.350 0.004 0.000 0.267 351 E C -1.263 175.416 176.600 0.131 0.000 0.893 351 E CA -1.141 55.451 56.400 0.320 0.000 0.761 351 E CB 1.394 31.172 29.700 0.130 0.000 1.133 351 E HN 0.408 nan 8.360 nan 0.000 0.409 352 L N 4.056 125.108 121.223 -0.284 0.000 2.455 352 L HA 0.284 4.626 4.340 0.004 0.000 0.272 352 L C -0.147 176.490 176.870 -0.388 0.000 1.174 352 L CA 1.171 55.501 54.840 -0.851 0.000 0.869 352 L CB 0.986 42.501 42.059 -0.907 0.000 1.130 352 L HN 0.656 nan 8.230 nan 0.000 0.474 353 T N 4.072 118.411 114.554 -0.360 0.000 2.618 353 T HA 0.553 4.905 4.350 0.004 0.000 0.293 353 T C -1.223 173.386 174.700 -0.151 0.000 1.093 353 T CA -0.718 61.274 62.100 -0.179 0.000 1.061 353 T CB 1.029 69.836 68.868 -0.103 0.000 1.498 353 T HN 0.612 nan 8.240 nan 0.000 0.494 354 K N 1.203 121.537 120.400 -0.110 0.000 2.375 354 K HA 0.582 4.904 4.320 0.004 0.000 0.249 354 K C -0.314 176.224 176.600 -0.104 0.000 0.942 354 K CA -0.807 55.411 56.287 -0.115 0.000 0.806 354 K CB 1.981 34.408 32.500 -0.122 0.000 1.227 354 K HN 0.765 nan 8.250 nan 0.000 0.430 355 S N 1.087 116.720 115.700 -0.111 0.000 2.596 355 S HA 0.153 4.626 4.470 0.004 0.000 0.260 355 S C -1.783 172.751 174.600 -0.110 0.000 1.336 355 S CA -0.831 57.303 58.200 -0.109 0.000 0.993 355 S CB 0.458 63.591 63.200 -0.111 0.000 0.923 355 S HN 0.351 nan 8.310 nan 0.000 0.567 356 P HA 0.062 nan 4.420 nan 0.000 0.223 356 P C 0.909 178.120 177.300 -0.147 0.000 1.144 356 P CA 1.380 64.408 63.100 -0.120 0.000 0.783 356 P CB -0.207 31.416 31.700 -0.128 0.000 0.771 357 A N -1.128 121.604 122.820 -0.147 0.000 2.275 357 A HA 0.477 4.799 4.320 0.004 0.000 0.212 357 A C 1.640 179.150 177.584 -0.124 0.000 1.201 357 A CA 0.706 52.658 52.037 -0.141 0.000 0.843 357 A CB -0.955 17.968 19.000 -0.127 0.000 0.873 357 A HN 0.231 nan 8.150 nan 0.000 0.492 358 G N -1.929 106.793 108.800 -0.131 0.000 2.141 358 G HA2 0.124 4.087 3.960 0.004 0.000 0.231 358 G HA3 0.124 4.087 3.960 0.004 0.000 0.231 358 G C 0.352 175.122 174.900 -0.216 0.000 0.984 358 G CA 0.221 45.230 45.100 -0.152 0.000 0.660 358 G HN 1.515 nan 8.290 nan 0.000 0.525 359 A N 0.666 123.376 122.820 -0.184 0.000 2.340 359 A HA 0.645 4.968 4.320 0.004 0.000 0.268 359 A C 0.481 177.944 177.584 -0.200 0.000 1.100 359 A CA -0.472 51.447 52.037 -0.196 0.000 0.803 359 A CB 0.238 19.181 19.000 -0.094 0.000 1.043 359 A HN 0.433 nan 8.150 nan 0.000 0.488 360 H N 1.697 120.726 119.070 -0.068 0.000 2.848 360 H HA 0.280 4.838 4.556 0.004 0.000 0.317 360 H C 0.400 175.660 175.328 -0.113 0.000 1.046 360 H CA 0.855 56.828 56.048 -0.125 0.000 1.470 360 H CB 0.493 30.195 29.762 -0.100 0.000 1.483 360 H HN 0.789 nan 8.280 nan 0.000 0.548 361 Q N 1.838 121.579 119.800 -0.099 0.000 2.814 361 Q HA 0.432 4.775 4.340 0.004 0.000 0.322 361 Q C -1.650 174.180 176.000 -0.283 0.000 0.888 361 Q CA -1.108 54.660 55.803 -0.060 0.000 0.768 361 Q CB 1.740 30.479 28.738 0.003 0.000 1.443 361 Q HN 0.395 nan 8.270 nan 0.000 0.497 362 W N 0.328 121.644 121.300 0.026 0.000 2.819 362 W HA 0.733 5.396 4.660 0.005 0.000 0.337 362 W C -1.070 175.576 176.519 0.211 0.000 1.077 362 W CA -0.737 56.676 57.345 0.112 0.000 1.226 362 W CB 2.177 31.681 29.460 0.073 0.000 1.419 362 W HN 0.493 nan 8.180 nan 0.000 0.502 363 V N 2.482 122.686 119.914 0.485 0.000 2.823 363 V HA 0.838 4.960 4.120 0.004 0.000 0.312 363 V C -0.511 175.711 176.094 0.214 0.000 1.072 363 V CA -1.157 61.340 62.300 0.328 0.000 0.937 363 V CB 1.676 33.558 31.823 0.098 0.000 1.013 363 V HN 0.675 nan 8.190 nan 0.000 0.430 364 A N 5.727 128.435 122.820 -0.188 0.000 2.451 364 A HA 0.397 4.720 4.320 0.004 0.000 0.266 364 A C 0.269 177.598 177.584 -0.424 0.000 1.119 364 A CA -0.133 51.422 52.037 -0.803 0.000 0.786 364 A CB -0.214 17.951 19.000 -1.391 0.000 1.061 364 A HN 0.821 nan 8.150 nan 0.000 0.503 365 K N 1.745 121.963 120.400 -0.303 0.000 2.447 365 K HA 0.291 4.613 4.320 0.004 0.000 0.281 365 K C 1.214 177.751 176.600 -0.106 0.000 1.031 365 K CA 0.993 57.199 56.287 -0.134 0.000 1.019 365 K CB 0.341 32.800 32.500 -0.067 0.000 0.918 365 K HN 1.352 nan 8.250 nan 0.000 0.476 366 G N 1.688 110.443 108.800 -0.075 0.000 2.166 366 G HA2 -0.337 3.625 3.960 0.004 0.000 0.260 366 G HA3 -0.337 3.625 3.960 0.004 0.000 0.260 366 G C 0.246 175.126 174.900 -0.033 0.000 0.986 366 G CA 0.351 45.428 45.100 -0.038 0.000 0.683 366 G HN 0.818 nan 8.290 nan 0.000 0.527 367 A N -0.237 122.515 122.820 -0.112 0.000 2.351 367 A HA 0.577 4.900 4.320 0.004 0.000 0.257 367 A C 0.398 177.938 177.584 -0.073 0.000 1.087 367 A CA -0.034 51.931 52.037 -0.119 0.000 0.798 367 A CB 0.479 19.159 19.000 -0.534 0.000 1.033 367 A HN 0.261 nan 8.150 nan 0.000 0.488 368 D N 0.547 120.937 120.400 -0.016 0.000 2.344 368 D HA 0.398 5.040 4.640 0.004 0.000 0.244 368 D C 0.389 176.669 176.300 -0.032 0.000 1.134 368 D CA 0.485 54.476 54.000 -0.016 0.000 0.930 368 D CB 1.065 41.871 40.800 0.011 0.000 1.175 368 D HN 0.608 nan 8.370 nan 0.000 0.437 369 A N 1.165 123.966 122.820 -0.031 0.000 2.785 369 A HA 0.243 4.565 4.320 0.004 0.000 0.294 369 A C 1.119 178.691 177.584 -0.020 0.000 1.597 369 A CA -0.350 51.666 52.037 -0.035 0.000 1.283 369 A CB -0.762 18.201 19.000 -0.061 0.000 1.088 369 A HN 0.398 nan 8.150 nan 0.000 0.568 370 V N 0.600 120.515 119.914 0.001 0.000 3.661 370 V HA 0.313 4.436 4.120 0.004 0.000 0.271 370 V C 0.413 176.527 176.094 0.034 0.000 1.315 370 V CA -0.072 62.240 62.300 0.020 0.000 1.072 370 V CB -0.432 31.417 31.823 0.044 0.000 0.830 370 V HN 0.528 nan 8.190 nan 0.000 0.443 371 I N 4.106 124.708 120.570 0.053 0.000 2.371 371 I HA 0.441 4.614 4.170 0.004 0.000 0.290 371 I C -2.312 173.886 176.117 0.134 0.000 1.028 371 I CA -2.510 58.843 61.300 0.088 0.000 1.345 371 I CB 0.856 38.919 38.000 0.105 0.000 1.407 371 I HN 0.146 nan 8.210 nan 0.000 0.501 372 P HA 0.117 nan 4.420 nan 0.000 0.274 372 P C -0.604 176.903 177.300 0.344 0.000 1.231 372 P CA -0.253 62.959 63.100 0.187 0.000 0.790 372 P CB 0.977 32.780 31.700 0.172 0.000 0.951 373 D N 0.516 121.058 120.400 0.237 0.000 2.304 373 D HA 0.316 4.958 4.640 0.004 0.000 0.247 373 D C 1.296 177.569 176.300 -0.045 0.000 1.089 373 D CA -0.353 53.775 54.000 0.214 0.000 0.910 373 D CB 0.782 41.675 40.800 0.156 0.000 1.199 373 D HN 0.283 nan 8.370 nan 0.000 0.426 374 A N 2.393 124.951 122.820 -0.437 0.000 2.066 374 A HA -0.000 4.322 4.320 0.004 0.000 0.218 374 A C 1.114 177.975 177.584 -1.204 0.000 1.157 374 A CA 0.993 52.210 52.037 -1.366 0.000 0.670 374 A CB -0.365 17.807 19.000 -1.381 0.000 0.804 374 A HN 0.654 nan 8.150 nan 0.000 0.453 375 F N -2.064 117.744 119.950 -0.238 0.000 2.835 375 F HA 0.239 4.768 4.527 0.004 0.000 0.341 375 F C 0.047 175.798 175.800 -0.081 0.000 0.940 375 F CA -0.501 57.406 58.000 -0.154 0.000 1.125 375 F CB 0.765 39.669 39.000 -0.160 0.000 0.974 375 F HN 0.026 nan 8.300 nan 0.000 0.601 376 D N 1.638 122.095 120.400 0.095 0.000 2.441 376 D HA 0.288 4.930 4.640 0.004 0.000 0.231 376 D C -2.144 174.170 176.300 0.023 0.000 1.073 376 D CA -2.426 51.607 54.000 0.055 0.000 0.850 376 D CB 1.901 42.731 40.800 0.050 0.000 1.062 376 D HN -0.104 nan 8.370 nan 0.000 0.524 377 P HA -0.096 nan 4.420 nan 0.000 0.222 377 P C 1.165 178.462 177.300 -0.006 0.000 1.147 377 P CA 0.761 63.866 63.100 0.008 0.000 0.790 377 P CB 0.194 31.900 31.700 0.009 0.000 0.780 378 S N -2.005 113.689 115.700 -0.011 0.000 2.522 378 S HA 0.038 4.510 4.470 0.004 0.000 0.227 378 S C 0.797 175.367 174.600 -0.050 0.000 0.986 378 S CA 0.216 58.402 58.200 -0.024 0.000 0.929 378 S CB -0.582 62.607 63.200 -0.018 0.000 0.769 378 S HN 0.079 nan 8.310 nan 0.000 0.529 379 K N 1.205 121.566 120.400 -0.066 0.000 2.182 379 K HA 0.516 4.838 4.320 0.004 0.000 0.262 379 K C -0.568 175.891 176.600 -0.234 0.000 0.957 379 K CA -0.702 55.493 56.287 -0.154 0.000 0.842 379 K CB 1.174 33.593 32.500 -0.137 0.000 1.099 379 K HN 0.037 nan 8.250 nan 0.000 0.438 380 K N 1.845 122.036 120.400 -0.348 0.000 2.444 380 K HA 0.485 4.808 4.320 0.004 0.000 0.252 380 K C -0.639 175.628 176.600 -0.555 0.000 0.993 380 K CA -0.828 55.260 56.287 -0.331 0.000 0.847 380 K CB 1.938 34.358 32.500 -0.134 0.000 1.340 380 K HN 0.622 nan 8.250 nan 0.000 0.446 381 H N 0.558 119.623 119.070 -0.008 0.000 2.928 381 H HA 0.366 4.925 4.556 0.004 0.000 0.371 381 H C -0.144 175.158 175.328 -0.043 0.000 1.186 381 H CA -0.816 55.216 56.048 -0.026 0.000 1.134 381 H CB 1.817 31.562 29.762 -0.027 0.000 1.824 381 H HN 0.254 nan 8.280 nan 0.000 0.554 382 R N 1.265 121.808 120.500 0.071 0.000 2.641 382 R HA 0.203 4.546 4.340 0.004 0.000 0.269 382 R C -2.331 173.948 176.300 -0.034 0.000 1.074 382 R CA -1.567 54.511 56.100 -0.037 0.000 1.133 382 R CB -0.069 30.184 30.300 -0.079 0.000 1.029 382 R HN 0.278 nan 8.270 nan 0.000 0.488 383 P HA -0.032 nan 4.420 nan 0.000 0.266 383 P C -0.650 176.734 177.300 0.140 0.000 1.195 383 P CA 0.417 63.508 63.100 -0.015 0.000 0.768 383 P CB 0.670 32.290 31.700 -0.134 0.000 0.838 384 T N -0.042 114.603 114.554 0.151 0.000 2.883 384 T HA 0.830 5.183 4.350 0.004 0.000 0.296 384 T C -0.636 174.031 174.700 -0.056 0.000 1.117 384 T CA -0.857 61.328 62.100 0.143 0.000 1.006 384 T CB 1.263 70.104 68.868 -0.044 0.000 1.191 384 T HN 0.116 nan 8.240 nan 0.000 0.508 385 M N 1.474 121.002 119.600 -0.120 0.000 2.520 385 M HA 0.475 4.958 4.480 0.004 0.000 0.283 385 M C -1.181 175.144 176.300 0.043 0.000 1.237 385 M CA -0.717 54.461 55.300 -0.204 0.000 0.885 385 M CB 2.308 34.422 32.600 -0.809 0.000 1.727 385 M HN 0.683 nan 8.290 nan 0.000 0.468 386 L N 0.560 121.877 121.223 0.156 0.000 2.421 386 L HA 0.373 4.716 4.340 0.004 0.000 0.263 386 L C 1.542 178.512 176.870 0.167 0.000 1.122 386 L CA -0.290 54.695 54.840 0.242 0.000 0.804 386 L CB 0.534 42.768 42.059 0.291 0.000 1.150 386 L HN 0.774 nan 8.230 nan 0.000 0.457 387 T N -0.548 114.194 114.554 0.313 0.000 2.653 387 T HA -0.214 4.139 4.350 0.004 0.000 0.268 387 T C 1.759 176.478 174.700 0.031 0.000 1.035 387 T CA 2.298 64.505 62.100 0.177 0.000 1.154 387 T CB -0.299 68.781 68.868 0.354 0.000 0.862 387 T HN 0.933 nan 8.240 nan 0.000 0.441 388 T N 0.369 114.994 114.554 0.119 0.000 2.995 388 T HA -0.081 4.271 4.350 0.004 0.000 0.269 388 T C 1.459 176.183 174.700 0.041 0.000 1.091 388 T CA 0.982 63.142 62.100 0.100 0.000 1.128 388 T CB -0.256 68.714 68.868 0.170 0.000 0.891 388 T HN 0.284 nan 8.240 nan 0.000 0.492 389 D N 1.762 122.200 120.400 0.063 0.000 2.117 389 D HA 0.036 4.678 4.640 0.004 0.000 0.198 389 D C 2.160 178.373 176.300 -0.144 0.000 0.982 389 D CA 0.772 54.794 54.000 0.038 0.000 0.828 389 D CB -0.240 40.638 40.800 0.129 0.000 0.967 389 D HN 0.373 nan 8.370 nan 0.000 0.464 390 L N 1.029 122.092 121.223 -0.267 0.000 2.191 390 L HA -0.118 4.224 4.340 0.004 0.000 0.212 390 L C 2.417 179.254 176.870 -0.056 0.000 1.103 390 L CA 0.519 55.189 54.840 -0.285 0.000 0.769 390 L CB -0.421 41.357 42.059 -0.468 0.000 0.908 390 L HN -0.069 nan 8.230 nan 0.000 0.438 391 S N 0.550 116.236 115.700 -0.023 0.000 2.387 391 S HA -0.180 4.293 4.470 0.004 0.000 0.230 391 S C 1.917 176.577 174.600 0.101 0.000 1.035 391 S CA 1.274 59.522 58.200 0.080 0.000 1.014 391 S CB -0.321 62.937 63.200 0.098 0.000 0.836 391 S HN 0.389 nan 8.310 nan 0.000 0.466 392 L N 0.462 121.661 121.223 -0.039 0.000 2.275 392 L HA -0.013 4.330 4.340 0.004 0.000 0.215 392 L C 2.570 179.399 176.870 -0.068 0.000 1.119 392 L CA 1.033 55.839 54.840 -0.056 0.000 0.790 392 L CB -0.365 41.657 42.059 -0.063 0.000 0.919 392 L HN 0.265 nan 8.230 nan 0.000 0.443 393 R N -0.376 119.968 120.500 -0.261 0.000 2.167 393 R HA 0.035 4.378 4.340 0.004 0.000 0.201 393 R C 1.825 177.835 176.300 -0.484 0.000 1.024 393 R CA 0.511 56.308 56.100 -0.504 0.000 1.053 393 R CB 0.105 29.810 30.300 -0.992 0.000 0.987 393 R HN 0.160 nan 8.270 nan 0.000 0.493 394 F N 0.855 120.783 119.950 -0.038 0.000 2.746 394 F HA 0.186 4.715 4.527 0.004 0.000 0.297 394 F C 0.612 176.407 175.800 -0.008 0.000 1.113 394 F CA -0.313 57.671 58.000 -0.027 0.000 1.367 394 F CB 0.372 39.324 39.000 -0.079 0.000 1.111 394 F HN -0.021 nan 8.300 nan 0.000 0.590 395 D N 1.946 122.424 120.400 0.130 0.000 2.317 395 D HA 0.061 4.703 4.640 0.004 0.000 0.252 395 D C -1.962 174.336 176.300 -0.004 0.000 1.174 395 D CA -1.689 52.333 54.000 0.038 0.000 0.866 395 D CB 1.785 42.570 40.800 -0.025 0.000 1.127 395 D HN -0.014 nan 8.370 nan 0.000 0.467 396 P HA -0.137 nan 4.420 nan 0.000 0.216 396 P C 0.918 178.186 177.300 -0.054 0.000 1.150 396 P CA 1.365 64.450 63.100 -0.026 0.000 0.843 396 P CB 0.223 31.907 31.700 -0.027 0.000 0.787 397 A N -1.734 121.015 122.820 -0.118 0.000 1.897 397 A HA -0.164 4.158 4.320 0.004 0.000 0.215 397 A C 2.150 179.701 177.584 -0.056 0.000 1.181 397 A CA 1.153 53.113 52.037 -0.128 0.000 0.620 397 A CB -1.774 17.100 19.000 -0.210 0.000 0.821 397 A HN 0.191 nan 8.150 nan 0.000 0.443 398 Y N -0.542 119.717 120.300 -0.068 0.000 2.293 398 Y HA -0.175 4.378 4.550 0.004 0.000 0.291 398 Y C 2.664 178.508 175.900 -0.093 0.000 1.137 398 Y CA 0.791 58.837 58.100 -0.089 0.000 1.202 398 Y CB 0.084 38.498 38.460 -0.078 0.000 0.990 398 Y HN 0.364 nan 8.280 nan 0.000 0.537 399 E N 1.551 121.805 120.200 0.090 0.000 2.085 399 E HA -0.221 4.132 4.350 0.004 0.000 0.194 399 E C 1.658 178.259 176.600 0.003 0.000 0.994 399 E CA 1.396 57.836 56.400 0.067 0.000 0.801 399 E CB -0.018 29.703 29.700 0.036 0.000 0.743 399 E HN 0.482 nan 8.360 nan 0.000 0.453 400 K N -0.026 120.344 120.400 -0.052 0.000 2.097 400 K HA -0.074 4.248 4.320 0.004 0.000 0.206 400 K C 2.363 178.846 176.600 -0.195 0.000 1.049 400 K CA 1.296 57.516 56.287 -0.111 0.000 0.933 400 K CB -0.080 32.366 32.500 -0.091 0.000 0.717 400 K HN 0.185 nan 8.250 nan 0.000 0.442 401 I N 0.612 121.047 120.570 -0.226 0.000 2.233 401 I HA -0.241 3.932 4.170 0.004 0.000 0.243 401 I C 2.175 177.872 176.117 -0.699 0.000 1.093 401 I CA 0.987 62.001 61.300 -0.477 0.000 1.380 401 I CB -0.204 37.554 38.000 -0.404 0.000 1.067 401 I HN 0.030 nan 8.210 nan 0.000 0.413 402 S N 0.584 116.028 115.700 -0.426 0.000 2.370 402 S HA -0.166 4.306 4.470 0.004 0.000 0.226 402 S C 2.105 176.402 174.600 -0.505 0.000 1.033 402 S CA 1.164 59.037 58.200 -0.546 0.000 1.011 402 S CB -0.304 62.870 63.200 -0.043 0.000 0.852 402 S HN 0.321 nan 8.310 nan 0.000 0.457 403 R N 0.894 121.227 120.500 -0.277 0.000 2.081 403 R HA -0.040 4.303 4.340 0.004 0.000 0.235 403 R C 2.554 178.675 176.300 -0.297 0.000 1.131 403 R CA 1.287 57.148 56.100 -0.399 0.000 0.960 403 R CB -0.463 29.609 30.300 -0.380 0.000 0.856 403 R HN 0.385 nan 8.270 nan 0.000 0.436 404 R N 0.127 120.454 120.500 -0.288 0.000 2.073 404 R HA -0.088 4.254 4.340 0.004 0.000 0.234 404 R C 2.284 178.561 176.300 -0.037 0.000 1.134 404 R CA 1.469 57.461 56.100 -0.181 0.000 0.952 404 R CB -0.339 29.840 30.300 -0.202 0.000 0.850 404 R HN 0.192 nan 8.270 nan 0.000 0.433 405 F N -0.802 118.986 119.950 -0.271 0.000 2.134 405 F HA -0.242 4.287 4.527 0.004 0.000 0.299 405 F C 2.581 178.235 175.800 -0.244 0.000 1.097 405 F CA 0.794 58.630 58.000 -0.274 0.000 1.264 405 F CB -0.312 38.341 39.000 -0.579 0.000 1.001 405 F HN 0.304 nan 8.300 nan 0.000 0.479 406 H N 0.840 119.713 119.070 -0.327 0.000 2.319 406 H HA -0.150 4.409 4.556 0.004 0.000 0.299 406 H C 1.820 177.098 175.328 -0.083 0.000 1.092 406 H CA 2.058 58.015 56.048 -0.151 0.000 1.302 406 H CB -0.269 29.383 29.762 -0.184 0.000 1.373 406 H HN 0.281 nan 8.280 nan 0.000 0.497 407 E N -0.572 119.509 120.200 -0.198 0.000 2.216 407 E HA 0.004 4.356 4.350 0.004 0.000 0.192 407 E C -0.054 176.485 176.600 -0.102 0.000 0.988 407 E CA 0.473 56.738 56.400 -0.225 0.000 0.834 407 E CB 0.295 29.876 29.700 -0.198 0.000 0.772 407 E HN 0.444 nan 8.360 nan 0.000 0.479 408 N N 0.954 119.645 118.700 -0.014 0.000 2.841 408 N HA 0.123 4.865 4.740 0.004 0.000 0.257 408 N C -2.389 173.181 175.510 0.100 0.000 1.396 408 N CA -0.984 52.092 53.050 0.042 0.000 0.823 408 N CB 1.494 40.028 38.487 0.078 0.000 1.162 408 N HN -0.031 nan 8.380 nan 0.000 0.503 409 P HA -0.088 nan 4.420 nan 0.000 0.222 409 P C 1.105 178.492 177.300 0.145 0.000 1.147 409 P CA 1.107 64.211 63.100 0.005 0.000 0.790 409 P CB 0.599 31.901 31.700 -0.664 0.000 0.780 410 E N -0.211 120.057 120.200 0.113 0.000 2.106 410 E HA -0.197 4.155 4.350 0.004 0.000 0.192 410 E C 2.096 178.777 176.600 0.135 0.000 0.984 410 E CA 0.939 57.419 56.400 0.134 0.000 0.806 410 E CB -0.284 29.475 29.700 0.099 0.000 0.750 410 E HN 0.432 nan 8.360 nan 0.000 0.458 411 Q N -0.177 119.717 119.800 0.155 0.000 2.124 411 Q HA -0.172 4.170 4.340 0.004 0.000 0.202 411 Q C 2.055 178.103 176.000 0.081 0.000 0.977 411 Q CA 1.083 56.995 55.803 0.181 0.000 0.850 411 Q CB -0.203 28.703 28.738 0.280 0.000 0.901 411 Q HN 0.235 nan 8.270 nan 0.000 0.429 412 F N 1.429 121.246 119.950 -0.221 0.000 2.075 412 F HA -0.167 4.362 4.527 0.004 0.000 0.297 412 F C 2.141 177.881 175.800 -0.100 0.000 1.113 412 F CA 1.367 58.977 58.000 -0.650 0.000 1.218 412 F CB -0.846 38.005 39.000 -0.248 0.000 0.984 412 F HN -0.004 nan 8.300 nan 0.000 0.472 413 A N -0.187 122.666 122.820 0.055 0.000 1.883 413 A HA -0.259 4.063 4.320 0.004 0.000 0.217 413 A C 1.999 179.628 177.584 0.075 0.000 1.186 413 A CA 2.114 54.214 52.037 0.105 0.000 0.624 413 A CB -1.343 17.760 19.000 0.172 0.000 0.822 413 A HN 0.495 nan 8.150 nan 0.000 0.444 414 D N -0.580 119.850 120.400 0.050 0.000 2.117 414 D HA 0.010 4.653 4.640 0.004 0.000 0.198 414 D C 2.046 178.382 176.300 0.060 0.000 0.982 414 D CA 1.522 55.549 54.000 0.046 0.000 0.828 414 D CB -0.190 40.647 40.800 0.062 0.000 0.967 414 D HN 0.336 nan 8.370 nan 0.000 0.464 415 A N -0.296 122.569 122.820 0.076 0.000 1.902 415 A HA -0.118 4.204 4.320 0.004 0.000 0.217 415 A C 2.276 179.974 177.584 0.190 0.000 1.181 415 A CA 1.154 53.269 52.037 0.129 0.000 0.623 415 A CB -1.249 17.855 19.000 0.173 0.000 0.818 415 A HN 0.490 nan 8.150 nan 0.000 0.443 416 F N 0.615 120.556 119.950 -0.015 0.000 2.102 416 F HA -0.078 4.451 4.527 0.004 0.000 0.298 416 F C 2.571 178.455 175.800 0.140 0.000 1.105 416 F CA 1.084 59.078 58.000 -0.010 0.000 1.239 416 F CB -0.083 38.752 39.000 -0.275 0.000 0.991 416 F HN 0.294 nan 8.300 nan 0.000 0.474 417 A N 0.903 123.799 122.820 0.127 0.000 1.883 417 A HA -0.217 4.105 4.320 0.004 0.000 0.217 417 A C 2.177 179.801 177.584 0.066 0.000 1.186 417 A CA 1.823 53.929 52.037 0.114 0.000 0.624 417 A CB -0.764 18.285 19.000 0.080 0.000 0.822 417 A HN 0.462 nan 8.150 nan 0.000 0.444 418 R N -0.708 119.733 120.500 -0.098 0.000 2.075 418 R HA -0.027 4.316 4.340 0.004 0.000 0.232 418 R C 2.483 178.796 176.300 0.021 0.000 1.126 418 R CA 1.187 57.125 56.100 -0.269 0.000 0.963 418 R CB -0.429 29.699 30.300 -0.287 0.000 0.858 418 R HN 0.509 nan 8.270 nan 0.000 0.435 419 A N 0.854 123.732 122.820 0.097 0.000 1.930 419 A HA -0.179 4.144 4.320 0.004 0.000 0.217 419 A C 1.876 179.547 177.584 0.144 0.000 1.175 419 A CA 0.819 52.930 52.037 0.124 0.000 0.627 419 A CB -0.857 18.269 19.000 0.210 0.000 0.815 419 A HN 0.609 nan 8.150 nan 0.000 0.443 420 W N -0.375 120.911 121.300 -0.023 0.000 2.358 420 W HA -0.231 4.432 4.660 0.004 0.000 0.303 420 W C 1.843 178.422 176.519 0.101 0.000 1.208 420 W CA 1.765 59.087 57.345 -0.038 0.000 1.274 420 W CB -0.443 28.838 29.460 -0.297 0.000 1.138 420 W HN 0.406 nan 8.180 nan 0.000 0.515 421 F N 2.085 122.093 119.950 0.097 0.000 2.102 421 F HA -0.210 4.319 4.527 0.003 0.000 0.298 421 F C 2.642 178.461 175.800 0.031 0.000 1.105 421 F CA 2.802 60.868 58.000 0.110 0.000 1.239 421 F CB -0.803 38.335 39.000 0.231 0.000 0.991 421 F HN -0.217 nan 8.300 nan 0.000 0.474 422 K N 0.262 120.584 120.400 -0.130 0.000 2.002 422 K HA -0.229 4.093 4.320 0.004 0.000 0.209 422 K C 2.206 178.391 176.600 -0.691 0.000 1.048 422 K CA 1.770 57.635 56.287 -0.704 0.000 0.930 422 K CB -0.705 31.324 32.500 -0.785 0.000 0.714 422 K HN 0.351 nan 8.250 nan 0.000 0.438 423 L N 1.477 122.449 121.223 -0.419 0.000 1.997 423 L HA -0.229 4.113 4.340 0.004 0.000 0.216 423 L C 2.231 178.839 176.870 -0.437 0.000 1.074 423 L CA 2.862 57.501 54.840 -0.335 0.000 0.763 423 L CB -1.113 40.838 42.059 -0.181 0.000 0.890 423 L HN 0.516 nan 8.230 nan 0.000 0.434 424 T N -5.126 109.112 114.554 -0.527 0.000 3.088 424 T HA -0.018 4.335 4.350 0.004 0.000 0.259 424 T C 1.048 175.337 174.700 -0.684 0.000 1.122 424 T CA 1.106 62.861 62.100 -0.576 0.000 1.095 424 T CB -0.532 67.927 68.868 -0.681 0.000 0.930 424 T HN 0.576 nan 8.240 nan 0.000 0.508 425 H N -0.845 117.851 119.070 -0.624 0.000 2.923 425 H HA 0.496 5.054 4.556 0.004 0.000 0.268 425 H C 1.862 176.960 175.328 -0.383 0.000 1.148 425 H CA -0.458 55.252 56.048 -0.564 0.000 1.146 425 H CB 0.384 29.676 29.762 -0.783 0.000 1.607 425 H HN 0.073 nan 8.280 nan 0.000 0.566 426 R N 1.541 121.747 120.500 -0.490 0.000 2.127 426 R HA -0.096 4.247 4.340 0.004 0.000 0.238 426 R C 0.655 176.739 176.300 -0.360 0.000 1.134 426 R CA 1.857 57.618 56.100 -0.565 0.000 0.975 426 R CB -0.067 29.704 30.300 -0.881 0.000 0.865 426 R HN 0.433 nan 8.270 nan 0.000 0.447 427 D N -1.594 118.574 120.400 -0.386 0.000 2.368 427 D HA -0.022 4.620 4.640 0.004 0.000 0.218 427 D C 1.129 177.356 176.300 -0.122 0.000 1.112 427 D CA 0.109 53.979 54.000 -0.217 0.000 0.834 427 D CB -0.117 40.573 40.800 -0.183 0.000 0.953 427 D HN 0.283 nan 8.370 nan 0.000 0.505 428 M N 0.301 119.839 119.600 -0.104 0.000 2.595 428 M HA 0.201 4.684 4.480 0.004 0.000 0.248 428 M C 0.985 177.265 176.300 -0.033 0.000 1.119 428 M CA 0.685 55.921 55.300 -0.107 0.000 1.079 428 M CB 0.093 32.558 32.600 -0.225 0.000 1.472 428 M HN 0.284 nan 8.290 nan 0.000 0.501 429 G N 1.109 109.928 108.800 0.032 0.000 2.632 429 G HA2 -0.191 3.771 3.960 0.004 0.000 0.224 429 G HA3 -0.191 3.771 3.960 0.004 0.000 0.224 429 G C -2.830 172.085 174.900 0.026 0.000 1.341 429 G CA -1.210 43.884 45.100 -0.009 0.000 0.880 429 G HN 0.168 nan 8.290 nan 0.000 0.566 430 P HA 0.237 nan 4.420 nan 0.000 0.267 430 P C 1.048 178.239 177.300 -0.183 0.000 1.200 430 P CA -0.018 63.045 63.100 -0.061 0.000 0.772 430 P CB 0.274 32.008 31.700 0.057 0.000 0.855 431 R N 2.336 122.601 120.500 -0.393 0.000 2.170 431 R HA -0.185 4.158 4.340 0.004 0.000 0.242 431 R C 1.977 178.080 176.300 -0.327 0.000 1.145 431 R CA 1.584 57.240 56.100 -0.740 0.000 0.984 431 R CB -0.857 29.071 30.300 -0.621 0.000 0.869 431 R HN 0.527 nan 8.270 nan 0.000 0.455 432 A N 1.384 124.121 122.820 -0.137 0.000 2.032 432 A HA -0.192 4.131 4.320 0.004 0.000 0.221 432 A C 1.914 179.512 177.584 0.022 0.000 1.165 432 A CA 1.255 53.277 52.037 -0.025 0.000 0.645 432 A CB -0.329 18.700 19.000 0.048 0.000 0.807 432 A HN 0.273 nan 8.150 nan 0.000 0.453 433 R N -1.927 118.579 120.500 0.010 0.000 2.236 433 R HA 0.014 4.357 4.340 0.004 0.000 0.208 433 R C -0.429 175.947 176.300 0.126 0.000 1.036 433 R CA 0.039 56.146 56.100 0.013 0.000 1.001 433 R CB -0.142 30.060 30.300 -0.163 0.000 0.896 433 R HN 0.503 nan 8.270 nan 0.000 0.464 434 Y N 1.530 121.776 120.300 -0.090 0.000 2.465 434 Y HA 0.153 4.705 4.550 0.005 0.000 0.331 434 Y C 0.615 176.480 175.900 -0.058 0.000 1.102 434 Y CA -0.445 57.609 58.100 -0.077 0.000 1.358 434 Y CB 0.199 38.642 38.460 -0.028 0.000 1.213 434 Y HN -0.116 nan 8.280 nan 0.000 0.525 435 L N 2.435 123.667 121.223 0.016 0.000 2.330 435 L HA 0.874 5.217 4.340 0.004 0.000 0.271 435 L C 0.623 177.631 176.870 0.229 0.000 1.013 435 L CA -0.856 54.034 54.840 0.084 0.000 0.816 435 L CB 1.774 43.837 42.059 0.007 0.000 1.287 435 L HN 0.812 nan 8.230 nan 0.000 0.435 436 G N 1.749 110.729 108.800 0.300 0.000 2.655 436 G HA2 -0.122 3.840 3.960 0.004 0.000 0.680 436 G HA3 -0.122 3.840 3.960 0.004 0.000 0.680 436 G C -2.415 172.591 174.900 0.176 0.000 1.302 436 G CA -0.311 44.975 45.100 0.310 0.000 0.872 436 G HN 0.540 nan 8.290 nan 0.000 0.540 437 P HA 0.186 nan 4.420 nan 0.000 0.255 437 P C 0.606 177.954 177.300 0.081 0.000 1.248 437 P CA 0.861 64.008 63.100 0.080 0.000 0.807 437 P CB 0.302 32.029 31.700 0.044 0.000 1.150 438 E N -0.250 120.037 120.200 0.144 0.000 2.499 438 E HA 0.145 4.498 4.350 0.004 0.000 0.199 438 E C -0.153 176.500 176.600 0.089 0.000 1.016 438 E CA -0.265 56.210 56.400 0.125 0.000 0.933 438 E CB 0.763 30.597 29.700 0.223 0.000 1.050 438 E HN 0.018 nan 8.360 nan 0.000 0.462 439 V N 3.738 123.702 119.914 0.083 0.000 2.521 439 V HA 0.065 4.187 4.120 0.004 0.000 0.286 439 V C -1.991 174.062 176.094 -0.068 0.000 1.034 439 V CA -1.330 61.017 62.300 0.079 0.000 1.045 439 V CB 0.060 31.972 31.823 0.147 0.000 0.974 439 V HN 0.083 nan 8.190 nan 0.000 0.480 440 P HA 0.184 nan 4.420 nan 0.000 0.268 440 P C 0.472 177.640 177.300 -0.221 0.000 1.204 440 P CA -0.092 62.772 63.100 -0.393 0.000 0.768 440 P CB 0.926 32.186 31.700 -0.734 0.000 0.842 441 A N 2.828 125.525 122.820 -0.206 0.000 2.014 441 A HA -0.119 4.204 4.320 0.004 0.000 0.218 441 A C 1.058 178.572 177.584 -0.116 0.000 1.163 441 A CA 0.632 52.589 52.037 -0.134 0.000 0.652 441 A CB -0.761 18.171 19.000 -0.114 0.000 0.808 441 A HN 0.649 nan 8.150 nan 0.000 0.449 442 E N 0.670 120.797 120.200 -0.122 0.000 2.417 442 E HA 0.262 4.614 4.350 0.004 0.000 0.261 442 E C -1.036 175.540 176.600 -0.040 0.000 1.000 442 E CA -0.311 56.065 56.400 -0.041 0.000 0.919 442 E CB 0.499 30.236 29.700 0.062 0.000 0.955 442 E HN 0.135 nan 8.360 nan 0.000 0.455 443 V N 6.757 126.634 119.914 -0.061 0.000 2.461 443 V HA 0.189 4.312 4.120 0.004 0.000 0.275 443 V C 0.249 176.279 176.094 -0.106 0.000 1.047 443 V CA -0.273 61.961 62.300 -0.111 0.000 0.955 443 V CB 0.741 32.496 31.823 -0.113 0.000 0.988 443 V HN 0.570 nan 8.190 nan 0.000 0.471 444 L N 4.737 125.833 121.223 -0.211 0.000 2.334 444 L HA 0.381 4.723 4.340 0.004 0.000 0.276 444 L C 0.968 177.657 176.870 -0.302 0.000 1.014 444 L CA -0.667 54.031 54.840 -0.238 0.000 0.815 444 L CB 1.554 43.397 42.059 -0.361 0.000 1.268 444 L HN 0.485 nan 8.230 nan 0.000 0.428 445 L N 3.524 124.684 121.223 -0.106 0.000 2.079 445 L HA -0.182 4.161 4.340 0.004 0.000 0.210 445 L C 2.137 179.008 176.870 0.001 0.000 1.081 445 L CA 1.897 56.720 54.840 -0.028 0.000 0.752 445 L CB -0.542 41.556 42.059 0.065 0.000 0.896 445 L HN 0.797 nan 8.230 nan 0.000 0.433 446 W N -0.973 120.366 121.300 0.064 0.000 2.525 446 W HA -0.158 4.504 4.660 0.003 0.000 0.259 446 W C 1.381 177.935 176.519 0.058 0.000 1.253 446 W CA 0.427 57.811 57.345 0.065 0.000 1.262 446 W CB -1.117 28.384 29.460 0.070 0.000 1.122 446 W HN 0.329 nan 8.180 nan 0.000 0.607 447 Q N 1.030 120.515 119.800 -0.525 0.000 2.482 447 Q HA -0.071 4.272 4.340 0.004 0.000 0.209 447 Q C -0.277 175.629 176.000 -0.157 0.000 0.961 447 Q CA 0.637 56.153 55.803 -0.478 0.000 0.945 447 Q CB -0.463 27.829 28.738 -0.744 0.000 1.012 447 Q HN 0.082 nan 8.270 nan 0.000 0.515 448 D N 1.194 121.559 120.400 -0.059 0.000 2.735 448 D HA -0.134 4.509 4.640 0.004 0.000 0.235 448 D C -2.401 173.867 176.300 -0.053 0.000 1.175 448 D CA 0.522 54.513 54.000 -0.015 0.000 0.683 448 D CB -0.739 40.084 40.800 0.038 0.000 1.008 448 D HN 0.310 nan 8.370 nan 0.000 0.416 449 P HA 0.177 nan 4.420 nan 0.000 0.269 449 P C 0.341 177.604 177.300 -0.063 0.000 1.215 449 P CA -0.099 62.938 63.100 -0.105 0.000 0.780 449 P CB 0.863 32.491 31.700 -0.121 0.000 0.898 450 I N 3.456 123.988 120.570 -0.063 0.000 2.436 450 I HA 0.289 4.462 4.170 0.004 0.000 0.289 450 I C -2.024 174.066 176.117 -0.045 0.000 1.010 450 I CA -2.508 58.768 61.300 -0.040 0.000 1.098 450 I CB 1.622 39.605 38.000 -0.028 0.000 1.266 450 I HN 0.199 nan 8.210 nan 0.000 0.434 451 P HA 0.135 nan 4.420 nan 0.000 0.267 451 P C -0.528 176.752 177.300 -0.033 0.000 1.200 451 P CA -0.342 62.742 63.100 -0.028 0.000 0.772 451 P CB 0.490 32.185 31.700 -0.008 0.000 0.855 452 A N 2.548 125.344 122.820 -0.040 0.000 2.498 452 A HA 0.207 4.530 4.320 0.004 0.000 0.239 452 A C 0.081 177.630 177.584 -0.058 0.000 1.068 452 A CA -0.300 51.707 52.037 -0.051 0.000 0.766 452 A CB -0.105 18.866 19.000 -0.050 0.000 1.003 452 A HN 0.400 nan 8.150 nan 0.000 0.497 453 V N 3.091 122.945 119.914 -0.101 0.000 2.455 453 V HA 0.175 4.297 4.120 0.004 0.000 0.273 453 V C 0.278 176.252 176.094 -0.201 0.000 1.045 453 V CA 0.466 62.645 62.300 -0.201 0.000 0.976 453 V CB 1.039 32.697 31.823 -0.275 0.000 0.993 453 V HN 1.010 nan 8.190 nan 0.000 0.475 454 D N 2.378 122.673 120.400 -0.175 0.000 2.501 454 D HA 0.146 4.788 4.640 0.004 0.000 0.224 454 D C 0.078 176.378 176.300 -0.000 0.000 1.202 454 D CA -0.236 53.729 54.000 -0.059 0.000 0.829 454 D CB -0.028 40.782 40.800 0.017 0.000 1.023 454 D HN 0.778 nan 8.370 nan 0.000 0.499 455 H N -2.976 116.099 119.070 0.009 0.000 2.985 455 H HA 0.738 5.296 4.556 0.004 0.000 0.360 455 H C -3.013 172.327 175.328 0.021 0.000 1.221 455 H CA -2.179 53.878 56.048 0.016 0.000 1.121 455 H CB -0.103 29.673 29.762 0.024 0.000 1.854 455 H HN -0.338 nan 8.280 nan 0.000 0.551 456 P HA 0.064 nan 4.420 nan 0.000 0.265 456 P C -0.370 177.075 177.300 0.242 0.000 1.193 456 P CA -0.020 63.164 63.100 0.140 0.000 0.765 456 P CB 0.581 32.351 31.700 0.117 0.000 0.823 457 L N 3.117 124.421 121.223 0.135 0.000 2.421 457 L HA 0.398 4.741 4.340 0.004 0.000 0.263 457 L C 1.112 178.079 176.870 0.163 0.000 1.122 457 L CA -1.205 53.730 54.840 0.157 0.000 0.804 457 L CB 0.275 42.373 42.059 0.065 0.000 1.150 457 L HN 0.367 nan 8.230 nan 0.000 0.457 458 I N -1.227 119.452 120.570 0.181 0.000 2.813 458 I HA 0.126 4.298 4.170 0.004 0.000 0.287 458 I C -0.177 176.024 176.117 0.140 0.000 1.196 458 I CA -0.525 60.880 61.300 0.176 0.000 1.421 458 I CB 0.296 38.370 38.000 0.122 0.000 1.365 458 I HN 0.580 nan 8.210 nan 0.000 0.591 459 D N 4.014 124.493 120.400 0.131 0.000 2.588 459 D HA 0.528 5.170 4.640 0.004 0.000 0.268 459 D C 0.877 177.238 176.300 0.101 0.000 1.176 459 D CA -0.342 53.718 54.000 0.101 0.000 1.080 459 D CB 0.938 41.787 40.800 0.082 0.000 1.186 459 D HN 0.594 nan 8.370 nan 0.000 0.619 460 A N -0.374 122.495 122.820 0.082 0.000 1.969 460 A HA 0.107 4.429 4.320 0.004 0.000 0.218 460 A C 2.117 179.739 177.584 0.064 0.000 1.169 460 A CA 2.178 54.260 52.037 0.076 0.000 0.635 460 A CB -1.366 17.671 19.000 0.061 0.000 0.810 460 A HN 0.644 nan 8.150 nan 0.000 0.445 461 A N 0.234 123.093 122.820 0.066 0.000 1.902 461 A HA -0.173 4.150 4.320 0.004 0.000 0.217 461 A C 1.763 179.396 177.584 0.083 0.000 1.181 461 A CA 1.785 53.861 52.037 0.065 0.000 0.623 461 A CB -0.533 18.506 19.000 0.065 0.000 0.818 461 A HN 0.464 nan 8.150 nan 0.000 0.443 462 D N 0.217 120.686 120.400 0.115 0.000 2.144 462 D HA -0.058 4.584 4.640 0.004 0.000 0.199 462 D C 2.214 178.516 176.300 0.004 0.000 0.984 462 D CA 1.482 55.575 54.000 0.155 0.000 0.834 462 D CB -0.457 40.488 40.800 0.241 0.000 0.955 462 D HN 0.431 nan 8.370 nan 0.000 0.465 463 A N 1.246 124.062 122.820 -0.007 0.000 1.902 463 A HA -0.045 4.277 4.320 0.004 0.000 0.217 463 A C 2.351 179.887 177.584 -0.081 0.000 1.181 463 A CA 2.169 54.155 52.037 -0.084 0.000 0.623 463 A CB -0.691 18.305 19.000 -0.006 0.000 0.818 463 A HN 0.235 nan 8.150 nan 0.000 0.443 464 A N -0.346 122.462 122.820 -0.019 0.000 1.902 464 A HA -0.213 4.110 4.320 0.004 0.000 0.217 464 A C 2.058 179.634 177.584 -0.013 0.000 1.181 464 A CA 1.868 53.898 52.037 -0.012 0.000 0.623 464 A CB -0.586 18.422 19.000 0.013 0.000 0.818 464 A HN 0.680 nan 8.150 nan 0.000 0.443 465 E N -0.170 120.037 120.200 0.012 0.000 2.038 465 E HA -0.193 4.159 4.350 0.004 0.000 0.195 465 E C 1.988 178.585 176.600 -0.005 0.000 1.000 465 E CA 1.360 57.782 56.400 0.037 0.000 0.803 465 E CB -0.235 29.539 29.700 0.123 0.000 0.750 465 E HN 0.617 nan 8.360 nan 0.000 0.448 466 L N 0.615 121.787 121.223 -0.085 0.000 2.046 466 L HA -0.201 4.141 4.340 0.004 0.000 0.208 466 L C 2.692 179.487 176.870 -0.125 0.000 1.077 466 L CA 1.367 56.110 54.840 -0.162 0.000 0.747 466 L CB -0.312 41.542 42.059 -0.341 0.000 0.896 466 L HN 0.070 nan 8.230 nan 0.000 0.432 467 K N -0.109 120.217 120.400 -0.123 0.000 2.057 467 K HA -0.152 4.170 4.320 0.004 0.000 0.207 467 K C 2.243 178.810 176.600 -0.056 0.000 1.049 467 K CA 1.335 57.564 56.287 -0.098 0.000 0.931 467 K CB -0.263 32.182 32.500 -0.092 0.000 0.714 467 K HN 0.300 nan 8.250 nan 0.000 0.440 468 A N 1.868 124.666 122.820 -0.037 0.000 1.902 468 A HA -0.204 4.119 4.320 0.004 0.000 0.217 468 A C 1.934 179.509 177.584 -0.014 0.000 1.181 468 A CA 1.580 53.607 52.037 -0.018 0.000 0.623 468 A CB -0.291 18.706 19.000 -0.004 0.000 0.818 468 A HN 0.189 nan 8.150 nan 0.000 0.443 469 K N -0.545 119.847 120.400 -0.014 0.000 2.097 469 K HA -0.044 4.278 4.320 0.004 0.000 0.205 469 K C 1.881 178.472 176.600 -0.016 0.000 1.050 469 K CA 1.254 57.538 56.287 -0.006 0.000 0.938 469 K CB -0.328 32.176 32.500 0.008 0.000 0.718 469 K HN 0.287 nan 8.250 nan 0.000 0.442 470 V N 1.852 121.746 119.914 -0.034 0.000 2.255 470 V HA -0.263 3.860 4.120 0.004 0.000 0.247 470 V C 2.164 178.244 176.094 -0.023 0.000 1.051 470 V CA 1.727 64.007 62.300 -0.034 0.000 1.018 470 V CB -0.376 31.415 31.823 -0.054 0.000 0.641 470 V HN 0.297 nan 8.190 nan 0.000 0.445 471 L N -0.110 121.098 121.223 -0.024 0.000 2.201 471 L HA -0.083 4.260 4.340 0.004 0.000 0.212 471 L C 2.527 179.391 176.870 -0.011 0.000 1.105 471 L CA 1.258 56.087 54.840 -0.018 0.000 0.775 471 L CB -0.654 41.393 42.059 -0.020 0.000 0.913 471 L HN 0.366 nan 8.230 nan 0.000 0.440 472 A N -0.193 122.622 122.820 -0.008 0.000 2.119 472 A HA -0.116 4.207 4.320 0.004 0.000 0.216 472 A C 2.456 180.039 177.584 -0.002 0.000 1.152 472 A CA 1.207 53.242 52.037 -0.003 0.000 0.708 472 A CB -0.394 18.606 19.000 -0.000 0.000 0.805 472 A HN 0.481 nan 8.150 nan 0.000 0.460 473 S N -1.500 114.198 115.700 -0.003 0.000 2.447 473 S HA 0.250 4.722 4.470 0.004 0.000 0.233 473 S C 1.602 176.202 174.600 -0.000 0.000 1.006 473 S CA 1.408 59.608 58.200 -0.001 0.000 0.957 473 S CB -0.448 62.751 63.200 -0.003 0.000 0.773 473 S HN 1.860 nan 8.310 nan 0.000 0.507 474 G N 0.468 109.267 108.800 -0.002 0.000 2.176 474 G HA2 -0.205 3.758 3.960 0.004 0.000 0.232 474 G HA3 -0.205 3.758 3.960 0.004 0.000 0.232 474 G C -0.031 174.869 174.900 -0.000 0.000 0.986 474 G CA 0.026 45.126 45.100 -0.001 0.000 0.643 474 G HN 0.537 nan 8.290 nan 0.000 0.522 475 L N 2.330 123.552 121.223 -0.001 0.000 2.490 475 L HA 0.403 4.746 4.340 0.004 0.000 0.274 475 L C 1.624 178.493 176.870 -0.002 0.000 1.201 475 L CA 0.663 55.504 54.840 0.001 0.000 0.869 475 L CB 0.576 42.636 42.059 0.001 0.000 1.123 475 L HN 0.450 nan 8.230 nan 0.000 0.484 476 T N -0.628 113.926 114.554 0.001 0.000 2.902 476 T HA 0.255 4.608 4.350 0.004 0.000 0.280 476 T C 1.311 176.006 174.700 -0.009 0.000 0.992 476 T CA -0.981 61.116 62.100 -0.004 0.000 1.015 476 T CB 1.602 70.469 68.868 -0.002 0.000 1.044 476 T HN 0.239 nan 8.240 nan 0.000 0.520 477 V N 1.539 121.440 119.914 -0.022 0.000 2.250 477 V HA -0.219 3.903 4.120 0.004 0.000 0.250 477 V C 3.041 179.118 176.094 -0.029 0.000 1.060 477 V CA 2.630 64.907 62.300 -0.039 0.000 1.030 477 V CB -1.232 30.557 31.823 -0.057 0.000 0.643 477 V HN 1.122 nan 8.190 nan 0.000 0.445 478 S N -1.090 114.599 115.700 -0.019 0.000 2.359 478 S HA -0.316 4.157 4.470 0.004 0.000 0.224 478 S C 2.034 176.649 174.600 0.026 0.000 1.035 478 S CA 2.266 60.464 58.200 -0.003 0.000 1.018 478 S CB -0.273 62.926 63.200 -0.002 0.000 0.876 478 S HN 0.723 nan 8.310 nan 0.000 0.448 479 Q N 0.100 119.916 119.800 0.026 0.000 2.084 479 Q HA -0.026 4.316 4.340 0.004 0.000 0.202 479 Q C 2.344 178.379 176.000 0.060 0.000 0.978 479 Q CA 1.673 57.500 55.803 0.041 0.000 0.844 479 Q CB -0.273 28.481 28.738 0.027 0.000 0.898 479 Q HN 0.536 nan 8.270 nan 0.000 0.426 480 L N -0.465 120.786 121.223 0.048 0.000 2.044 480 L HA -0.150 4.192 4.340 0.004 0.000 0.205 480 L C 2.340 179.291 176.870 0.135 0.000 1.075 480 L CA 0.667 55.547 54.840 0.067 0.000 0.747 480 L CB -0.438 41.638 42.059 0.028 0.000 0.903 480 L HN 0.071 nan 8.230 nan 0.000 0.435 481 V N -0.760 119.214 119.914 0.101 0.000 2.295 481 V HA -0.261 3.861 4.120 0.004 0.000 0.246 481 V C 2.590 178.886 176.094 0.336 0.000 1.049 481 V CA 2.058 64.464 62.300 0.177 0.000 1.024 481 V CB -0.405 31.404 31.823 -0.024 0.000 0.648 481 V HN 0.378 nan 8.190 nan 0.000 0.447 482 S N -0.136 115.692 115.700 0.215 0.000 2.370 482 S HA -0.212 4.260 4.470 0.004 0.000 0.226 482 S C 2.060 176.820 174.600 0.266 0.000 1.033 482 S CA 2.018 60.363 58.200 0.241 0.000 1.011 482 S CB -0.479 62.807 63.200 0.144 0.000 0.852 482 S HN 0.702 nan 8.310 nan 0.000 0.457 483 T N 2.296 116.967 114.554 0.195 0.000 2.777 483 T HA 0.024 4.377 4.350 0.004 0.000 0.266 483 T C 2.162 176.955 174.700 0.154 0.000 1.040 483 T CA 1.179 63.366 62.100 0.145 0.000 1.141 483 T CB -0.461 68.464 68.868 0.095 0.000 0.868 483 T HN 0.465 nan 8.240 nan 0.000 0.444 484 A N 1.149 124.107 122.820 0.230 0.000 1.930 484 A HA -0.057 4.266 4.320 0.004 0.000 0.217 484 A C 2.137 179.789 177.584 0.114 0.000 1.175 484 A CA 0.988 53.141 52.037 0.193 0.000 0.627 484 A CB -1.014 18.201 19.000 0.357 0.000 0.815 484 A HN 0.739 nan 8.150 nan 0.000 0.443 485 W N 0.922 122.288 121.300 0.110 0.000 2.355 485 W HA -0.218 4.445 4.660 0.004 0.000 0.309 485 W C 2.255 178.780 176.519 0.011 0.000 1.206 485 W CA 2.067 59.423 57.345 0.019 0.000 1.284 485 W CB -0.352 29.208 29.460 0.165 0.000 1.145 485 W HN 0.421 nan 8.180 nan 0.000 0.502 486 A N 1.117 123.984 122.820 0.079 0.000 1.917 486 A HA -0.162 4.160 4.320 0.004 0.000 0.219 486 A C 2.166 179.690 177.584 -0.102 0.000 1.182 486 A CA 3.001 55.033 52.037 -0.009 0.000 0.633 486 A CB -1.362 17.694 19.000 0.094 0.000 0.819 486 A HN 0.367 nan 8.150 nan 0.000 0.448 487 A N -0.539 122.229 122.820 -0.088 0.000 1.873 487 A HA 0.230 4.552 4.320 0.004 0.000 0.215 487 A C 2.478 179.963 177.584 -0.165 0.000 1.186 487 A CA 2.078 54.055 52.037 -0.099 0.000 0.616 487 A CB -0.909 18.053 19.000 -0.064 0.000 0.823 487 A HN 1.065 nan 8.150 nan 0.000 0.442 488 A N -0.086 122.568 122.820 -0.276 0.000 1.975 488 A HA 0.070 4.393 4.320 0.004 0.000 0.215 488 A C 2.254 179.587 177.584 -0.419 0.000 1.170 488 A CA 1.670 53.501 52.037 -0.344 0.000 0.656 488 A CB -0.672 18.060 19.000 -0.448 0.000 0.821 488 A HN 0.952 nan 8.150 nan 0.000 0.449 489 S N -0.020 115.274 115.700 -0.677 0.000 2.603 489 S HA -0.057 4.416 4.470 0.004 0.000 0.220 489 S C 1.490 175.890 174.600 -0.333 0.000 0.967 489 S CA 1.148 58.867 58.200 -0.802 0.000 0.920 489 S CB -1.036 61.131 63.200 -1.721 0.000 0.773 489 S HN 0.679 nan 8.310 nan 0.000 0.529 490 T N -1.534 112.927 114.554 -0.155 0.000 3.085 490 T HA 0.154 4.507 4.350 0.004 0.000 0.263 490 T C 0.299 175.014 174.700 0.025 0.000 1.127 490 T CA -0.335 61.767 62.100 0.003 0.000 1.103 490 T CB -0.805 68.126 68.868 0.105 0.000 0.921 490 T HN 0.370 nan 8.240 nan 0.000 0.510 491 F N 4.308 124.190 119.950 -0.115 0.000 2.572 491 F HA 0.314 4.843 4.527 0.003 0.000 0.370 491 F C 0.726 176.495 175.800 -0.052 0.000 1.103 491 F CA -0.944 57.014 58.000 -0.070 0.000 1.286 491 F CB 0.571 39.508 39.000 -0.105 0.000 1.105 491 F HN 0.187 nan 8.300 nan 0.000 0.583 492 R N 4.189 124.206 120.500 -0.806 0.000 2.532 492 R HA 0.483 4.825 4.340 0.004 0.000 0.297 492 R C 0.292 176.118 176.300 -0.791 0.000 0.984 492 R CA -0.493 55.289 56.100 -0.531 0.000 0.884 492 R CB 1.176 31.317 30.300 -0.265 0.000 1.182 492 R HN 0.753 nan 8.270 nan 0.000 0.442 493 G N 1.249 109.867 108.800 -0.303 0.000 2.598 493 G HA2 -0.237 3.726 3.960 0.004 0.000 0.215 493 G HA3 -0.237 3.726 3.960 0.004 0.000 0.215 493 G C 1.203 176.065 174.900 -0.064 0.000 1.131 493 G CA 0.677 45.748 45.100 -0.050 0.000 0.785 493 G HN 0.754 nan 8.290 nan 0.000 0.539 494 S N 1.662 117.300 115.700 -0.102 0.000 2.353 494 S HA -0.171 4.301 4.470 0.004 0.000 0.222 494 S C 1.652 176.246 174.600 -0.009 0.000 1.035 494 S CA 1.784 59.956 58.200 -0.047 0.000 1.025 494 S CB -0.206 62.957 63.200 -0.062 0.000 0.902 494 S HN 0.479 nan 8.310 nan 0.000 0.440 495 D N -0.273 120.107 120.400 -0.034 0.000 2.503 495 D HA 0.190 4.833 4.640 0.004 0.000 0.218 495 D C 0.090 176.353 176.300 -0.060 0.000 1.183 495 D CA -0.244 53.765 54.000 0.016 0.000 0.827 495 D CB -0.528 40.387 40.800 0.192 0.000 1.034 495 D HN 0.476 nan 8.370 nan 0.000 0.510 496 K N 0.156 120.440 120.400 -0.193 0.000 3.088 496 K HA -0.223 4.100 4.320 0.004 0.000 0.273 496 K C -0.078 176.445 176.600 -0.127 0.000 1.111 496 K CA 0.572 56.733 56.287 -0.209 0.000 0.803 496 K CB -1.233 31.300 32.500 0.055 0.000 1.226 496 K HN 0.331 nan 8.250 nan 0.000 0.485 497 R N 0.244 120.625 120.500 -0.197 0.000 2.543 497 R HA 0.523 4.865 4.340 0.004 0.000 0.268 497 R C 0.970 177.220 176.300 -0.083 0.000 1.067 497 R CA 0.255 56.325 56.100 -0.049 0.000 1.142 497 R CB 1.053 31.362 30.300 0.015 0.000 1.110 497 R HN 0.332 nan 8.270 nan 0.000 0.549 498 G N -0.494 108.351 108.800 0.075 0.000 2.698 498 G HA2 0.213 4.176 3.960 0.004 0.000 0.225 498 G HA3 0.213 4.176 3.960 0.004 0.000 0.225 498 G C -0.070 174.979 174.900 0.249 0.000 1.345 498 G CA -0.452 44.719 45.100 0.119 0.000 0.871 498 G HN 1.140 nan 8.290 nan 0.000 0.540 499 G N -2.718 106.182 108.800 0.168 0.000 2.541 499 G HA2 0.491 4.453 3.960 0.004 0.000 0.686 499 G HA3 0.491 4.453 3.960 0.004 0.000 0.686 499 G C 0.919 175.813 174.900 -0.011 0.000 1.286 499 G CA 0.932 46.081 45.100 0.083 0.000 0.894 499 G HN 2.439 nan 8.290 nan 0.000 0.575 500 A N -0.188 122.586 122.820 -0.077 0.000 2.067 500 A HA 0.267 4.590 4.320 0.004 0.000 0.217 500 A C 1.314 178.871 177.584 -0.044 0.000 1.156 500 A CA 1.587 53.579 52.037 -0.074 0.000 0.683 500 A CB -0.328 18.611 19.000 -0.102 0.000 0.808 500 A HN 1.153 nan 8.150 nan 0.000 0.455 501 N N -0.121 118.555 118.700 -0.039 0.000 2.412 501 N HA 0.300 5.042 4.740 0.004 0.000 0.254 501 N C 1.143 176.648 175.510 -0.008 0.000 1.232 501 N CA 1.589 54.626 53.050 -0.022 0.000 0.880 501 N CB 0.526 39.002 38.487 -0.019 0.000 1.076 501 N HN 0.603 nan 8.380 nan 0.000 0.458 502 G N 2.173 110.968 108.800 -0.009 0.000 2.232 502 G HA2 -0.155 3.808 3.960 0.004 0.000 0.226 502 G HA3 -0.155 3.808 3.960 0.004 0.000 0.226 502 G C 0.447 175.337 174.900 -0.016 0.000 0.996 502 G CA 0.400 45.494 45.100 -0.010 0.000 0.626 502 G HN 1.642 nan 8.290 nan 0.000 0.509 503 A N -0.584 122.224 122.820 -0.020 0.000 2.704 503 A HA -0.270 4.052 4.320 0.004 0.000 0.299 503 A C 1.530 179.086 177.584 -0.047 0.000 1.507 503 A CA 2.286 54.306 52.037 -0.028 0.000 0.776 503 A CB -1.627 17.363 19.000 -0.016 0.000 1.027 503 A HN 1.009 nan 8.150 nan 0.000 0.475 504 R N -0.798 119.666 120.500 -0.058 0.000 2.280 504 R HA 0.105 4.448 4.340 0.004 0.000 0.207 504 R C 1.914 178.127 176.300 -0.146 0.000 1.043 504 R CA 1.052 57.099 56.100 -0.088 0.000 1.006 504 R CB -0.206 30.049 30.300 -0.077 0.000 0.885 504 R HN 0.825 nan 8.270 nan 0.000 0.467 505 I N 1.965 122.456 120.570 -0.132 0.000 2.567 505 I HA -0.270 3.903 4.170 0.004 0.000 0.257 505 I C 2.324 178.356 176.117 -0.141 0.000 1.184 505 I CA 1.232 62.436 61.300 -0.161 0.000 1.451 505 I CB 0.014 37.955 38.000 -0.100 0.000 1.089 505 I HN 0.125 nan 8.210 nan 0.000 0.441 506 R N 0.356 120.796 120.500 -0.100 0.000 2.297 506 R HA 0.116 4.459 4.340 0.004 0.000 0.197 506 R C 0.330 176.578 176.300 -0.087 0.000 0.943 506 R CA 0.094 56.148 56.100 -0.078 0.000 1.038 506 R CB -0.164 30.106 30.300 -0.049 0.000 0.957 506 R HN 0.287 nan 8.270 nan 0.000 0.484 507 L N 0.870 122.024 121.223 -0.114 0.000 2.365 507 L HA 0.560 4.903 4.340 0.004 0.000 0.267 507 L C 0.226 177.007 176.870 -0.149 0.000 1.033 507 L CA -1.378 53.399 54.840 -0.105 0.000 0.802 507 L CB 1.340 43.346 42.059 -0.087 0.000 1.267 507 L HN 0.020 nan 8.230 nan 0.000 0.457 508 A N 1.544 124.299 122.820 -0.109 0.000 2.462 508 A HA 0.342 4.664 4.320 0.004 0.000 0.243 508 A C -1.796 175.707 177.584 -0.135 0.000 1.076 508 A CA -0.825 51.143 52.037 -0.115 0.000 0.773 508 A CB -0.148 18.823 19.000 -0.048 0.000 1.010 508 A HN 0.603 nan 8.150 nan 0.000 0.493 509 P HA 0.013 nan 4.420 nan 0.000 0.257 509 P C 0.792 177.631 177.300 -0.768 0.000 1.241 509 P CA 0.446 63.402 63.100 -0.241 0.000 0.816 509 P CB 0.367 32.095 31.700 0.046 0.000 1.150 510 Q N 1.331 120.519 119.800 -1.019 0.000 2.135 510 Q HA -0.173 4.169 4.340 0.004 0.000 0.204 510 Q C 2.115 177.676 176.000 -0.731 0.000 0.981 510 Q CA 1.778 56.688 55.803 -1.489 0.000 0.856 510 Q CB -0.446 27.704 28.738 -0.981 0.000 0.902 510 Q HN 0.459 nan 8.270 nan 0.000 0.425 511 K N 0.233 120.390 120.400 -0.405 0.000 2.362 511 K HA -0.125 4.197 4.320 0.004 0.000 0.200 511 K C 0.591 177.120 176.600 -0.119 0.000 1.046 511 K CA 1.523 57.691 56.287 -0.198 0.000 0.952 511 K CB 0.211 32.632 32.500 -0.131 0.000 0.753 511 K HN 0.096 nan 8.250 nan 0.000 0.466 512 D N -0.207 120.111 120.400 -0.137 0.000 2.369 512 D HA -0.002 4.641 4.640 0.004 0.000 0.211 512 D C -0.221 176.170 176.300 0.153 0.000 1.077 512 D CA -0.007 53.996 54.000 0.005 0.000 0.842 512 D CB 0.092 40.907 40.800 0.024 0.000 0.947 512 D HN 0.170 nan 8.370 nan 0.000 0.509 513 W N 2.439 123.746 121.300 0.011 0.000 2.210 513 W HA 0.105 4.772 4.660 0.012 0.000 0.330 513 W C 1.796 178.309 176.519 -0.011 0.000 1.334 513 W CA -1.014 56.337 57.345 0.009 0.000 1.227 513 W CB 0.334 29.792 29.460 -0.003 0.000 1.178 513 W HN 0.069 nan 8.180 nan 0.000 0.560 514 E N 2.488 122.823 120.200 0.224 0.000 2.097 514 E HA -0.233 4.120 4.350 0.004 0.000 0.196 514 E C 2.023 178.588 176.600 -0.059 0.000 1.000 514 E CA 1.981 58.451 56.400 0.117 0.000 0.804 514 E CB 0.123 29.937 29.700 0.190 0.000 0.740 514 E HN 0.490 nan 8.360 nan 0.000 0.454 515 A N 0.906 123.565 122.820 -0.269 0.000 2.019 515 A HA -0.165 4.158 4.320 0.004 0.000 0.219 515 A C 1.697 179.186 177.584 -0.159 0.000 1.164 515 A CA 1.473 53.141 52.037 -0.614 0.000 0.644 515 A CB -0.367 18.249 19.000 -0.639 0.000 0.805 515 A HN 0.250 nan 8.150 nan 0.000 0.449 516 N N -0.074 118.645 118.700 0.031 0.000 2.398 516 N HA 0.042 4.784 4.740 0.004 0.000 0.188 516 N C -0.498 175.042 175.510 0.051 0.000 1.122 516 N CA 0.360 53.456 53.050 0.076 0.000 0.866 516 N CB -0.139 38.415 38.487 0.111 0.000 0.970 516 N HN 0.562 nan 8.380 nan 0.000 0.462 517 Q N -1.029 118.793 119.800 0.037 0.000 2.454 517 Q HA -0.155 4.188 4.340 0.004 0.000 0.341 517 Q C -1.832 174.192 176.000 0.040 0.000 1.437 517 Q CA -0.201 55.627 55.803 0.041 0.000 0.935 517 Q CB -1.181 27.582 28.738 0.041 0.000 1.164 517 Q HN 0.275 nan 8.270 nan 0.000 0.373 518 P HA -0.253 nan 4.420 nan 0.000 0.218 518 P C 1.137 178.450 177.300 0.023 0.000 1.154 518 P CA 1.350 64.468 63.100 0.029 0.000 0.872 518 P CB 0.180 31.902 31.700 0.037 0.000 0.790 519 E N -0.529 119.688 120.200 0.028 0.000 2.047 519 E HA -0.217 4.136 4.350 0.004 0.000 0.191 519 E C 2.133 178.747 176.600 0.022 0.000 0.987 519 E CA 1.065 57.479 56.400 0.024 0.000 0.799 519 E CB -0.732 28.984 29.700 0.027 0.000 0.752 519 E HN 0.434 nan 8.360 nan 0.000 0.449 520 Q N 0.639 120.455 119.800 0.026 0.000 2.050 520 Q HA -0.175 4.167 4.340 0.004 0.000 0.202 520 Q C 2.379 178.393 176.000 0.024 0.000 0.980 520 Q CA 1.092 56.911 55.803 0.027 0.000 0.840 520 Q CB -0.151 28.606 28.738 0.033 0.000 0.898 520 Q HN 0.155 nan 8.270 nan 0.000 0.424 521 L N 0.987 122.225 121.223 0.025 0.000 2.021 521 L HA -0.213 4.129 4.340 0.004 0.000 0.215 521 L C 2.294 179.169 176.870 0.009 0.000 1.074 521 L CA 2.519 57.370 54.840 0.019 0.000 0.760 521 L CB -1.066 41.000 42.059 0.011 0.000 0.889 521 L HN 0.305 nan 8.230 nan 0.000 0.433 522 A N -0.685 122.139 122.820 0.006 0.000 1.908 522 A HA -0.159 4.164 4.320 0.004 0.000 0.218 522 A C 2.458 180.045 177.584 0.004 0.000 1.181 522 A CA 2.204 54.242 52.037 0.001 0.000 0.627 522 A CB -1.266 17.736 19.000 0.003 0.000 0.818 522 A HN 0.638 nan 8.150 nan 0.000 0.445 523 A N -0.619 122.206 122.820 0.009 0.000 1.877 523 A HA -0.009 4.313 4.320 0.004 0.000 0.216 523 A C 2.254 179.843 177.584 0.009 0.000 1.186 523 A CA 1.874 53.917 52.037 0.009 0.000 0.620 523 A CB -0.997 18.010 19.000 0.012 0.000 0.822 523 A HN 0.420 nan 8.150 nan 0.000 0.443 524 V N 0.215 120.136 119.914 0.012 0.000 2.295 524 V HA -0.263 3.860 4.120 0.004 0.000 0.246 524 V C 2.574 178.672 176.094 0.007 0.000 1.049 524 V CA 1.990 64.298 62.300 0.013 0.000 1.024 524 V CB -0.849 30.987 31.823 0.021 0.000 0.648 524 V HN 0.566 nan 8.190 nan 0.000 0.447 525 L N -0.157 121.068 121.223 0.004 0.000 2.083 525 L HA -0.219 4.123 4.340 0.004 0.000 0.209 525 L C 2.595 179.463 176.870 -0.002 0.000 1.083 525 L CA 1.984 56.823 54.840 -0.002 0.000 0.752 525 L CB -0.596 41.458 42.059 -0.008 0.000 0.899 525 L HN 0.454 nan 8.230 nan 0.000 0.433 526 E N -0.070 120.130 120.200 -0.000 0.000 2.058 526 E HA -0.215 4.138 4.350 0.004 0.000 0.194 526 E C 1.975 178.577 176.600 0.002 0.000 0.997 526 E CA 1.960 58.361 56.400 0.001 0.000 0.801 526 E CB 0.091 29.793 29.700 0.002 0.000 0.746 526 E HN 0.384 nan 8.360 nan 0.000 0.450 527 T N 1.303 115.859 114.554 0.002 0.000 2.746 527 T HA -0.112 4.241 4.350 0.004 0.000 0.267 527 T C 1.883 176.583 174.700 -0.001 0.000 1.039 527 T CA 1.138 63.239 62.100 0.002 0.000 1.142 527 T CB -0.164 68.705 68.868 0.002 0.000 0.866 527 T HN 0.150 nan 8.240 nan 0.000 0.444 528 L N 0.562 121.783 121.223 -0.004 0.000 2.056 528 L HA -0.073 4.269 4.340 0.004 0.000 0.207 528 L C 2.715 179.581 176.870 -0.008 0.000 1.078 528 L CA 1.377 56.211 54.840 -0.011 0.000 0.749 528 L CB -0.575 41.475 42.059 -0.014 0.000 0.901 528 L HN 0.301 nan 8.230 nan 0.000 0.433 529 E N 0.239 120.437 120.200 -0.003 0.000 2.118 529 E HA -0.235 4.118 4.350 0.004 0.000 0.195 529 E C 2.283 178.888 176.600 0.008 0.000 0.992 529 E CA 1.268 57.669 56.400 0.001 0.000 0.804 529 E CB -0.159 29.541 29.700 -0.000 0.000 0.741 529 E HN 0.502 nan 8.360 nan 0.000 0.458 530 A N 0.879 123.704 122.820 0.008 0.000 1.898 530 A HA -0.159 4.163 4.320 0.004 0.000 0.216 530 A C 2.163 179.760 177.584 0.023 0.000 1.181 530 A CA 1.019 53.064 52.037 0.013 0.000 0.620 530 A CB -0.515 18.491 19.000 0.010 0.000 0.819 530 A HN 0.147 nan 8.150 nan 0.000 0.442 531 I N -0.968 119.613 120.570 0.018 0.000 2.226 531 I HA -0.266 3.907 4.170 0.004 0.000 0.245 531 I C 2.742 178.892 176.117 0.055 0.000 1.100 531 I CA 1.703 63.020 61.300 0.028 0.000 1.374 531 I CB -0.315 37.684 38.000 -0.001 0.000 1.057 531 I HN 0.380 nan 8.210 nan 0.000 0.413 532 R N 0.505 121.024 120.500 0.033 0.000 2.073 532 R HA -0.166 4.176 4.340 0.004 0.000 0.234 532 R C 2.277 178.636 176.300 0.097 0.000 1.134 532 R CA 2.143 58.276 56.100 0.054 0.000 0.952 532 R CB -0.316 29.994 30.300 0.017 0.000 0.850 532 R HN 0.257 nan 8.270 nan 0.000 0.433 533 T N 0.662 115.250 114.554 0.057 0.000 2.708 533 T HA -0.122 4.231 4.350 0.004 0.000 0.266 533 T C 1.797 176.528 174.700 0.051 0.000 1.037 533 T CA 1.443 63.569 62.100 0.043 0.000 1.146 533 T CB -0.292 68.589 68.868 0.023 0.000 0.865 533 T HN 0.472 nan 8.240 nan 0.000 0.435 534 A N 0.847 123.704 122.820 0.061 0.000 1.902 534 A HA -0.015 4.307 4.320 0.004 0.000 0.217 534 A C 2.030 179.657 177.584 0.071 0.000 1.181 534 A CA 1.361 53.430 52.037 0.053 0.000 0.623 534 A CB -0.957 18.076 19.000 0.054 0.000 0.818 534 A HN 0.497 nan 8.150 nan 0.000 0.443 535 F N 1.397 121.336 119.950 -0.019 0.000 2.075 535 F HA -0.197 4.332 4.527 0.003 0.000 0.297 535 F C 2.022 177.807 175.800 -0.024 0.000 1.113 535 F CA 2.130 60.119 58.000 -0.019 0.000 1.218 535 F CB -0.229 38.759 39.000 -0.020 0.000 0.984 535 F HN 0.201 nan 8.300 nan 0.000 0.472 536 N N 0.577 119.363 118.700 0.143 0.000 2.166 536 N HA -0.105 4.638 4.740 0.004 0.000 0.186 536 N C 2.040 177.501 175.510 -0.081 0.000 1.019 536 N CA 1.318 54.382 53.050 0.022 0.000 0.856 536 N CB -1.192 37.333 38.487 0.063 0.000 0.993 536 N HN 0.474 nan 8.380 nan 0.000 0.426 537 G N -0.054 108.713 108.800 -0.056 0.000 2.471 537 G HA2 -0.070 3.893 3.960 0.004 0.000 0.219 537 G HA3 -0.070 3.893 3.960 0.004 0.000 0.219 537 G C 1.374 176.215 174.900 -0.098 0.000 1.125 537 G CA 0.832 45.895 45.100 -0.062 0.000 0.775 537 G HN 0.429 nan 8.290 nan 0.000 0.548 538 A N -0.729 121.997 122.820 -0.157 0.000 2.218 538 A HA 0.286 4.609 4.320 0.004 0.000 0.209 538 A C 1.351 178.801 177.584 -0.223 0.000 1.168 538 A CA 0.229 52.158 52.037 -0.180 0.000 0.804 538 A CB 0.043 18.924 19.000 -0.199 0.000 0.834 538 A HN 0.298 nan 8.150 nan 0.000 0.482 539 Q N 0.443 120.086 119.800 -0.263 0.000 2.312 539 Q HA 0.439 4.782 4.340 0.004 0.000 0.236 539 Q C -0.275 175.649 176.000 -0.128 0.000 0.965 539 Q CA 0.067 55.728 55.803 -0.237 0.000 0.894 539 Q CB 0.770 29.355 28.738 -0.255 0.000 1.225 539 Q HN 0.245 nan 8.270 nan 0.000 0.478 540 R N -1.026 119.417 120.500 -0.096 0.000 2.888 540 R HA 0.560 4.903 4.340 0.004 0.000 0.266 540 R C 0.449 176.729 176.300 -0.033 0.000 1.020 540 R CA -0.232 55.835 56.100 -0.055 0.000 0.963 540 R CB 1.271 31.544 30.300 -0.045 0.000 1.197 540 R HN 0.857 nan 8.270 nan 0.000 0.481 541 G N -0.328 108.462 108.800 -0.017 0.000 2.148 541 G HA2 -0.238 3.725 3.960 0.004 0.000 0.254 541 G HA3 -0.238 3.725 3.960 0.004 0.000 0.254 541 G C 0.781 175.690 174.900 0.016 0.000 0.981 541 G CA 0.795 45.896 45.100 0.001 0.000 0.670 541 G HN 1.305 nan 8.290 nan 0.000 0.528 542 G N -0.749 108.054 108.800 0.005 0.000 2.162 542 G HA2 -0.295 3.667 3.960 0.004 0.000 0.260 542 G HA3 -0.295 3.667 3.960 0.004 0.000 0.260 542 G C 0.378 175.295 174.900 0.027 0.000 0.976 542 G CA 1.412 46.523 45.100 0.018 0.000 0.655 542 G HN 1.407 nan 8.290 nan 0.000 0.533 543 K N 1.016 121.432 120.400 0.026 0.000 2.412 543 K HA 0.405 4.727 4.320 0.004 0.000 0.281 543 K C 0.658 177.252 176.600 -0.010 0.000 1.027 543 K CA 0.526 56.849 56.287 0.060 0.000 0.989 543 K CB 0.073 32.619 32.500 0.076 0.000 0.935 543 K HN 0.681 nan 8.250 nan 0.000 0.475 544 Q N 1.098 120.859 119.800 -0.064 0.000 2.534 544 Q HA 0.461 4.804 4.340 0.004 0.000 0.290 544 Q C -1.707 174.303 176.000 0.016 0.000 0.991 544 Q CA -1.169 54.596 55.803 -0.064 0.000 0.783 544 Q CB 1.753 30.324 28.738 -0.279 0.000 1.470 544 Q HN 0.318 nan 8.270 nan 0.000 0.406 545 V N 1.464 121.437 119.914 0.099 0.000 2.513 545 V HA 0.554 4.676 4.120 0.004 0.000 0.299 545 V C -0.320 175.796 176.094 0.035 0.000 1.035 545 V CA -0.129 62.205 62.300 0.057 0.000 0.889 545 V CB 1.908 33.671 31.823 -0.099 0.000 0.988 545 V HN 0.951 nan 8.190 nan 0.000 0.440 546 S N 5.689 121.436 115.700 0.078 0.000 2.603 546 S HA 0.203 4.676 4.470 0.004 0.000 0.268 546 S C 0.847 175.465 174.600 0.031 0.000 1.317 546 S CA -0.225 58.013 58.200 0.063 0.000 1.012 546 S CB 1.295 64.550 63.200 0.091 0.000 0.926 546 S HN 0.827 nan 8.310 nan 0.000 0.539 547 L N 2.220 123.454 121.223 0.018 0.000 2.141 547 L HA 0.084 4.426 4.340 0.004 0.000 0.209 547 L C 2.586 179.462 176.870 0.011 0.000 1.094 547 L CA 2.142 56.984 54.840 0.004 0.000 0.763 547 L CB -1.469 40.589 42.059 -0.001 0.000 0.908 547 L HN 0.968 nan 8.230 nan 0.000 0.437 548 A N -0.667 122.166 122.820 0.020 0.000 1.873 548 A HA -0.273 4.049 4.320 0.004 0.000 0.218 548 A C 2.064 179.681 177.584 0.056 0.000 1.193 548 A CA 2.150 54.201 52.037 0.023 0.000 0.629 548 A CB -0.909 18.102 19.000 0.017 0.000 0.826 548 A HN 0.497 nan 8.150 nan 0.000 0.447 549 D N -0.738 119.718 120.400 0.093 0.000 2.117 549 D HA -0.111 4.532 4.640 0.004 0.000 0.197 549 D C 1.845 178.211 176.300 0.111 0.000 0.987 549 D CA 1.231 55.358 54.000 0.212 0.000 0.829 549 D CB -0.366 40.595 40.800 0.269 0.000 0.961 549 D HN 0.313 nan 8.370 nan 0.000 0.460 550 L N 0.789 122.011 121.223 -0.001 0.000 2.056 550 L HA -0.059 4.284 4.340 0.004 0.000 0.207 550 L C 2.119 178.950 176.870 -0.066 0.000 1.078 550 L CA 1.164 55.947 54.840 -0.094 0.000 0.749 550 L CB -0.509 41.495 42.059 -0.092 0.000 0.901 550 L HN 0.006 nan 8.230 nan 0.000 0.433 551 I N -1.609 118.954 120.570 -0.013 0.000 2.151 551 I HA -0.343 3.829 4.170 0.004 0.000 0.243 551 I C 2.315 178.456 176.117 0.039 0.000 1.080 551 I CA 1.532 62.839 61.300 0.011 0.000 1.339 551 I CB -0.429 37.579 38.000 0.014 0.000 1.039 551 I HN 0.082 nan 8.210 nan 0.000 0.409 552 V N 0.373 120.324 119.914 0.063 0.000 2.307 552 V HA -0.260 3.863 4.120 0.004 0.000 0.245 552 V C 2.333 178.477 176.094 0.084 0.000 1.045 552 V CA 1.577 63.952 62.300 0.125 0.000 1.024 552 V CB -0.550 31.401 31.823 0.213 0.000 0.651 552 V HN 0.346 nan 8.190 nan 0.000 0.449 553 L N 1.008 122.121 121.223 -0.184 0.000 2.017 553 L HA -0.108 4.234 4.340 0.004 0.000 0.208 553 L C 2.484 179.225 176.870 -0.215 0.000 1.073 553 L CA 2.390 56.908 54.840 -0.538 0.000 0.745 553 L CB -1.039 40.451 42.059 -0.948 0.000 0.894 553 L HN 0.234 nan 8.230 nan 0.000 0.432 554 A N -0.566 122.179 122.820 -0.126 0.000 1.908 554 A HA -0.139 4.183 4.320 0.004 0.000 0.218 554 A C 2.360 179.962 177.584 0.030 0.000 1.181 554 A CA 1.725 53.732 52.037 -0.049 0.000 0.627 554 A CB -1.630 17.352 19.000 -0.030 0.000 0.818 554 A HN 0.545 nan 8.150 nan 0.000 0.445 555 G N -0.968 107.910 108.800 0.129 0.000 2.440 555 G HA2 -0.274 3.689 3.960 0.004 0.000 0.218 555 G HA3 -0.274 3.689 3.960 0.004 0.000 0.218 555 G C 1.578 176.613 174.900 0.224 0.000 1.154 555 G CA 1.325 46.598 45.100 0.289 0.000 0.767 555 G HN 0.539 nan 8.290 nan 0.000 0.552 556 C N 0.899 120.342 119.300 0.239 0.000 2.429 556 C HA 0.178 4.640 4.460 0.004 0.000 0.277 556 C C 3.540 178.530 174.990 -0.000 0.000 1.262 556 C CA 0.747 59.860 59.018 0.157 0.000 1.733 556 C CB -0.993 26.851 27.740 0.174 0.000 2.010 556 C HN 0.576 nan 8.230 nan 0.000 0.483 557 A N 0.948 123.752 122.820 -0.027 0.000 1.908 557 A HA 0.010 4.332 4.320 0.004 0.000 0.218 557 A C 2.400 179.951 177.584 -0.055 0.000 1.181 557 A CA 2.180 54.188 52.037 -0.047 0.000 0.627 557 A CB -1.245 17.720 19.000 -0.058 0.000 0.818 557 A HN 0.563 nan 8.150 nan 0.000 0.445 558 G N -0.675 108.091 108.800 -0.057 0.000 2.418 558 G HA2 -0.104 3.858 3.960 0.004 0.000 0.217 558 G HA3 -0.104 3.858 3.960 0.004 0.000 0.217 558 G C 1.503 176.315 174.900 -0.147 0.000 1.158 558 G CA 1.227 46.276 45.100 -0.084 0.000 0.771 558 G HN 0.328 nan 8.290 nan 0.000 0.545 559 V N 0.757 120.535 119.914 -0.228 0.000 2.358 559 V HA -0.169 3.954 4.120 0.004 0.000 0.246 559 V C 2.675 178.676 176.094 -0.154 0.000 1.047 559 V CA 2.176 64.304 62.300 -0.287 0.000 1.035 559 V CB -0.522 31.009 31.823 -0.487 0.000 0.658 559 V HN 0.471 nan 8.190 nan 0.000 0.452 560 E N -0.231 119.910 120.200 -0.098 0.000 2.085 560 E HA -0.324 4.029 4.350 0.004 0.000 0.194 560 E C 2.262 178.838 176.600 -0.040 0.000 0.994 560 E CA 1.573 57.944 56.400 -0.049 0.000 0.801 560 E CB -0.160 29.523 29.700 -0.028 0.000 0.743 560 E HN 0.515 nan 8.360 nan 0.000 0.453 561 Q N 0.836 120.606 119.800 -0.050 0.000 2.084 561 Q HA -0.114 4.228 4.340 0.004 0.000 0.202 561 Q C 1.940 177.916 176.000 -0.040 0.000 0.978 561 Q CA 1.797 57.578 55.803 -0.038 0.000 0.844 561 Q CB -0.335 28.379 28.738 -0.039 0.000 0.898 561 Q HN 0.247 nan 8.270 nan 0.000 0.426 562 A N 0.273 123.050 122.820 -0.070 0.000 1.902 562 A HA -0.076 4.247 4.320 0.004 0.000 0.217 562 A C 2.288 179.850 177.584 -0.038 0.000 1.181 562 A CA 1.936 53.928 52.037 -0.076 0.000 0.623 562 A CB -1.178 17.736 19.000 -0.143 0.000 0.818 562 A HN 0.523 nan 8.150 nan 0.000 0.443 563 A N -0.334 122.466 122.820 -0.033 0.000 1.902 563 A HA -0.164 4.158 4.320 0.004 0.000 0.217 563 A C 2.143 179.783 177.584 0.094 0.000 1.181 563 A CA 1.954 54.013 52.037 0.037 0.000 0.623 563 A CB -0.466 18.544 19.000 0.016 0.000 0.818 563 A HN 0.544 nan 8.150 nan 0.000 0.443 564 K N -0.316 120.110 120.400 0.043 0.000 2.063 564 K HA -0.204 4.118 4.320 0.004 0.000 0.208 564 K C 1.557 178.172 176.600 0.025 0.000 1.048 564 K CA 1.618 57.925 56.287 0.033 0.000 0.928 564 K CB -0.230 32.277 32.500 0.012 0.000 0.713 564 K HN 0.418 nan 8.250 nan 0.000 0.442 565 N N 0.515 119.225 118.700 0.017 0.000 2.272 565 N HA -0.148 4.594 4.740 0.004 0.000 0.185 565 N C 1.189 176.715 175.510 0.025 0.000 1.014 565 N CA 1.306 54.363 53.050 0.011 0.000 0.870 565 N CB -0.164 38.322 38.487 -0.001 0.000 0.975 565 N HN 0.275 nan 8.380 nan 0.000 0.433 566 A N -0.575 122.283 122.820 0.063 0.000 2.275 566 A HA 0.484 4.807 4.320 0.004 0.000 0.212 566 A C 1.346 178.946 177.584 0.026 0.000 1.201 566 A CA 0.525 52.623 52.037 0.102 0.000 0.843 566 A CB -0.208 18.924 19.000 0.220 0.000 0.873 566 A HN 0.268 nan 8.150 nan 0.000 0.492 567 G N -0.617 108.169 108.800 -0.022 0.000 2.136 567 G HA2 -0.193 3.769 3.960 0.004 0.000 0.242 567 G HA3 -0.193 3.769 3.960 0.004 0.000 0.242 567 G C -0.094 174.664 174.900 -0.236 0.000 0.989 567 G CA 0.233 45.255 45.100 -0.130 0.000 0.682 567 G HN 0.689 nan 8.290 nan 0.000 0.522 568 H N -0.277 118.802 119.070 0.015 0.000 2.492 568 H HA 0.649 5.207 4.556 0.004 0.000 0.345 568 H C 0.255 175.589 175.328 0.011 0.000 1.136 568 H CA 0.081 56.141 56.048 0.019 0.000 1.202 568 H CB 1.988 31.766 29.762 0.027 0.000 1.524 568 H HN 0.484 nan 8.280 nan 0.000 0.506 569 A N 3.419 126.318 122.820 0.132 0.000 2.341 569 A HA 0.474 4.797 4.320 0.004 0.000 0.326 569 A C -0.441 177.187 177.584 0.075 0.000 1.402 569 A CA -0.494 51.589 52.037 0.077 0.000 0.957 569 A CB -0.168 18.861 19.000 0.050 0.000 1.151 569 A HN 0.358 nan 8.150 nan 0.000 0.533 570 V N 2.851 122.800 119.914 0.057 0.000 2.577 570 V HA 0.436 4.559 4.120 0.004 0.000 0.303 570 V C -0.024 176.087 176.094 0.028 0.000 1.042 570 V CA -0.445 61.878 62.300 0.040 0.000 0.872 570 V CB 2.095 33.933 31.823 0.024 0.000 0.998 570 V HN 0.830 nan 8.190 nan 0.000 0.423 571 T N 4.152 118.725 114.554 0.031 0.000 2.767 571 T HA 0.549 4.902 4.350 0.004 0.000 0.284 571 T C -0.171 174.555 174.700 0.044 0.000 0.973 571 T CA -0.404 61.716 62.100 0.034 0.000 0.996 571 T CB 1.593 70.483 68.868 0.036 0.000 0.927 571 T HN 0.337 nan 8.240 nan 0.000 0.456 572 V N 6.055 126.002 119.914 0.056 0.000 2.407 572 V HA 0.318 4.441 4.120 0.004 0.000 0.278 572 V C -1.946 174.223 176.094 0.125 0.000 1.037 572 V CA -1.964 60.391 62.300 0.092 0.000 0.900 572 V CB 0.853 32.739 31.823 0.105 0.000 0.983 572 V HN 0.739 nan 8.190 nan 0.000 0.459 573 P HA 0.260 nan 4.420 nan 0.000 0.269 573 P C -1.050 176.372 177.300 0.203 0.000 1.209 573 P CA 0.018 63.188 63.100 0.117 0.000 0.776 573 P CB 0.289 32.022 31.700 0.056 0.000 0.876 574 F N 1.247 121.201 119.950 0.007 0.000 2.588 574 F HA 0.621 5.150 4.527 0.004 0.000 0.314 574 F C -1.529 174.256 175.800 -0.025 0.000 1.134 574 F CA -0.894 57.102 58.000 -0.005 0.000 0.961 574 F CB 1.467 40.470 39.000 0.005 0.000 1.239 574 F HN 0.386 nan 8.300 nan 0.000 0.448 575 A N 7.984 130.213 122.820 -0.985 0.000 2.285 575 A HA 0.753 5.076 4.320 0.004 0.000 0.310 575 A C -2.818 174.095 177.584 -1.118 0.000 1.266 575 A CA -1.640 49.926 52.037 -0.785 0.000 0.832 575 A CB 0.368 19.108 19.000 -0.433 0.000 1.163 575 A HN 0.483 nan 8.150 nan 0.000 0.499 576 P HA 0.495 nan 4.420 nan 0.000 0.279 576 P C 0.754 177.925 177.300 -0.216 0.000 1.282 576 P CA 0.902 63.773 63.100 -0.381 0.000 0.788 576 P CB 0.986 32.683 31.700 -0.005 0.000 1.139 577 G N -1.179 107.568 108.800 -0.088 0.000 2.227 577 G HA2 -0.139 3.823 3.960 0.004 0.000 0.168 577 G HA3 -0.139 3.823 3.960 0.004 0.000 0.168 577 G C 0.156 175.019 174.900 -0.062 0.000 1.006 577 G CA -0.536 44.516 45.100 -0.080 0.000 0.684 577 G HN 0.523 nan 8.290 nan 0.000 0.489 578 R N 0.698 121.173 120.500 -0.041 0.000 2.594 578 R HA 0.613 4.956 4.340 0.004 0.000 0.272 578 R C 0.502 176.811 176.300 0.015 0.000 1.074 578 R CA 0.680 56.768 56.100 -0.020 0.000 1.105 578 R CB 0.881 31.175 30.300 -0.010 0.000 1.008 578 R HN 0.506 nan 8.270 nan 0.000 0.472 579 A N 1.731 124.557 122.820 0.009 0.000 2.350 579 A HA 0.377 4.699 4.320 0.004 0.000 0.318 579 A C -1.120 176.476 177.584 0.021 0.000 1.132 579 A CA -0.926 51.129 52.037 0.030 0.000 0.811 579 A CB 1.158 20.166 19.000 0.013 0.000 1.313 579 A HN 0.602 nan 8.150 nan 0.000 0.454 580 D N 1.318 121.735 120.400 0.028 0.000 2.274 580 D HA 0.513 5.156 4.640 0.004 0.000 0.239 580 D C 0.189 176.491 176.300 0.004 0.000 1.104 580 D CA 0.399 54.406 54.000 0.012 0.000 0.840 580 D CB 1.644 42.452 40.800 0.015 0.000 1.100 580 D HN 0.690 nan 8.370 nan 0.000 0.477 581 A N 2.010 124.826 122.820 -0.007 0.000 2.302 581 A HA 0.530 4.852 4.320 0.004 0.000 0.285 581 A C 0.651 178.227 177.584 -0.012 0.000 1.105 581 A CA -0.539 51.491 52.037 -0.011 0.000 0.816 581 A CB 0.533 19.523 19.000 -0.016 0.000 1.067 581 A HN 0.521 nan 8.150 nan 0.000 0.489 582 S N 0.357 116.050 115.700 -0.011 0.000 2.669 582 S HA 0.278 4.750 4.470 0.004 0.000 0.270 582 S C 0.881 175.473 174.600 -0.012 0.000 1.225 582 S CA 0.051 58.245 58.200 -0.010 0.000 0.991 582 S CB 1.080 64.277 63.200 -0.006 0.000 0.987 582 S HN 0.727 nan 8.310 nan 0.000 0.552 583 Q N 0.632 120.425 119.800 -0.012 0.000 2.096 583 Q HA -0.143 4.200 4.340 0.004 0.000 0.204 583 Q C 1.606 177.606 176.000 -0.001 0.000 0.982 583 Q CA 2.209 58.006 55.803 -0.011 0.000 0.850 583 Q CB -0.573 28.159 28.738 -0.010 0.000 0.901 583 Q HN 0.875 nan 8.270 nan 0.000 0.422 584 E N -0.186 120.015 120.200 0.001 0.000 2.268 584 E HA -0.131 4.221 4.350 0.004 0.000 0.195 584 E C 1.296 177.901 176.600 0.007 0.000 0.995 584 E CA 0.947 57.352 56.400 0.008 0.000 0.836 584 E CB 0.038 29.742 29.700 0.007 0.000 0.763 584 E HN 0.489 nan 8.360 nan 0.000 0.491 585 Q N -0.247 119.552 119.800 -0.001 0.000 2.322 585 Q HA 0.106 4.448 4.340 0.004 0.000 0.203 585 Q C -0.420 175.580 176.000 -0.000 0.000 0.923 585 Q CA 0.406 56.205 55.803 -0.006 0.000 0.949 585 Q CB 0.658 29.386 28.738 -0.017 0.000 1.039 585 Q HN -0.019 nan 8.270 nan 0.000 0.496 586 T N 0.893 115.452 114.554 0.008 0.000 2.991 586 T HA 0.055 4.408 4.350 0.004 0.000 0.347 586 T C -0.983 173.737 174.700 0.034 0.000 1.122 586 T CA -0.731 61.378 62.100 0.016 0.000 1.062 586 T CB 0.882 69.747 68.868 -0.005 0.000 1.043 586 T HN 0.022 nan 8.240 nan 0.000 0.491 587 D N 3.226 123.661 120.400 0.059 0.000 2.349 587 D HA 0.038 4.680 4.640 0.004 0.000 0.266 587 D C 1.233 177.583 176.300 0.084 0.000 1.293 587 D CA -0.039 54.009 54.000 0.079 0.000 0.926 587 D CB 1.039 41.906 40.800 0.112 0.000 1.090 587 D HN 0.182 nan 8.370 nan 0.000 0.502 588 V N 4.688 124.645 119.914 0.072 0.000 2.427 588 V HA -0.180 3.942 4.120 0.004 0.000 0.248 588 V C 2.201 178.362 176.094 0.112 0.000 1.051 588 V CA 1.307 63.654 62.300 0.078 0.000 1.048 588 V CB -0.224 31.634 31.823 0.059 0.000 0.666 588 V HN 0.525 nan 8.190 nan 0.000 0.456 589 E N -0.218 120.045 120.200 0.106 0.000 2.072 589 E HA -0.151 4.202 4.350 0.004 0.000 0.191 589 E C 2.451 179.126 176.600 0.125 0.000 0.985 589 E CA 1.466 57.933 56.400 0.112 0.000 0.801 589 E CB -0.607 29.151 29.700 0.097 0.000 0.750 589 E HN 0.519 nan 8.360 nan 0.000 0.452 590 S N 0.498 116.276 115.700 0.131 0.000 2.382 590 S HA -0.150 4.323 4.470 0.004 0.000 0.228 590 S C 1.867 176.561 174.600 0.156 0.000 1.027 590 S CA 1.191 59.478 58.200 0.144 0.000 0.991 590 S CB -0.075 63.223 63.200 0.162 0.000 0.823 590 S HN 0.094 nan 8.310 nan 0.000 0.469 591 M N 1.816 121.517 119.600 0.168 0.000 2.374 591 M HA 0.192 4.674 4.480 0.004 0.000 0.264 591 M C 1.836 178.336 176.300 0.335 0.000 1.067 591 M CA 1.200 56.635 55.300 0.226 0.000 1.103 591 M CB -0.919 31.788 32.600 0.179 0.000 1.402 591 M HN 0.336 nan 8.290 nan 0.000 0.444 592 A N -0.486 122.493 122.820 0.265 0.000 1.978 592 A HA -0.138 4.185 4.320 0.004 0.000 0.220 592 A C 2.079 179.710 177.584 0.079 0.000 1.170 592 A CA 2.068 54.243 52.037 0.231 0.000 0.636 592 A CB -1.586 17.509 19.000 0.158 0.000 0.810 592 A HN 0.638 nan 8.150 nan 0.000 0.448 593 V N -2.456 117.499 119.914 0.068 0.000 3.078 593 V HA -0.028 4.095 4.120 0.004 0.000 0.265 593 V C 1.817 177.882 176.094 -0.048 0.000 1.122 593 V CA 1.566 63.862 62.300 -0.007 0.000 1.141 593 V CB -0.802 31.024 31.823 0.007 0.000 0.735 593 V HN 0.464 nan 8.190 nan 0.000 0.498 594 L N 0.273 121.502 121.223 0.010 0.000 2.558 594 L HA 0.236 4.579 4.340 0.004 0.000 0.225 594 L C 1.358 178.013 176.870 -0.358 0.000 1.128 594 L CA 0.287 55.115 54.840 -0.019 0.000 0.868 594 L CB -0.286 41.893 42.059 0.201 0.000 1.006 594 L HN 0.458 nan 8.230 nan 0.000 0.454 595 E N 3.401 123.125 120.200 -0.794 0.000 2.417 595 E HA 0.037 4.390 4.350 0.004 0.000 0.261 595 E C -2.067 174.122 176.600 -0.685 0.000 1.000 595 E CA -1.631 53.820 56.400 -1.582 0.000 0.919 595 E CB 0.710 29.500 29.700 -1.517 0.000 0.955 595 E HN -0.019 nan 8.360 nan 0.000 0.455 596 P HA -0.020 nan 4.420 nan 0.000 0.282 596 P C 0.538 177.853 177.300 0.026 0.000 1.274 596 P CA -0.104 62.921 63.100 -0.126 0.000 0.770 596 P CB 1.300 33.009 31.700 0.016 0.000 0.867 597 V N 0.887 120.821 119.914 0.033 0.000 3.174 597 V HA 0.452 4.574 4.120 0.004 0.000 0.254 597 V C 0.716 176.915 176.094 0.176 0.000 1.120 597 V CA 0.755 63.135 62.300 0.133 0.000 1.114 597 V CB -0.671 31.162 31.823 0.016 0.000 0.756 597 V HN 0.554 nan 8.190 nan 0.000 0.467 598 A N 0.444 123.350 122.820 0.143 0.000 2.381 598 A HA 0.735 5.057 4.320 0.004 0.000 0.299 598 A C -1.536 176.187 177.584 0.231 0.000 1.049 598 A CA -0.178 51.953 52.037 0.156 0.000 0.715 598 A CB 1.663 20.704 19.000 0.068 0.000 1.222 598 A HN 0.268 nan 8.150 nan 0.000 0.428 599 D N 2.129 122.724 120.400 0.326 0.000 2.330 599 D HA 0.383 5.026 4.640 0.004 0.000 0.249 599 D C 1.180 177.633 176.300 0.255 0.000 1.306 599 D CA 0.392 54.599 54.000 0.346 0.000 0.956 599 D CB 0.981 42.049 40.800 0.446 0.000 1.261 599 D HN 0.531 nan 8.370 nan 0.000 0.544 600 G N 1.427 110.266 108.800 0.066 0.000 2.462 600 G HA2 -0.247 3.716 3.960 0.004 0.000 0.220 600 G HA3 -0.247 3.716 3.960 0.004 0.000 0.220 600 G C 1.213 176.012 174.900 -0.168 0.000 1.121 600 G CA 0.445 45.483 45.100 -0.102 0.000 0.758 600 G HN 0.498 nan 8.290 nan 0.000 0.559 601 F N 0.137 120.129 119.950 0.071 0.000 2.365 601 F HA 0.141 4.670 4.527 0.004 0.000 0.300 601 F C 2.578 178.258 175.800 -0.199 0.000 1.090 601 F CA 0.720 58.642 58.000 -0.131 0.000 1.408 601 F CB 0.211 39.087 39.000 -0.206 0.000 1.060 601 F HN 0.002 nan 8.300 nan 0.000 0.534 602 R N -0.192 120.398 120.500 0.151 0.000 2.546 602 R HA 0.096 4.439 4.340 0.004 0.000 0.320 602 R C 0.034 176.420 176.300 0.143 0.000 1.021 602 R CA -0.199 55.971 56.100 0.117 0.000 1.088 602 R CB -0.118 30.311 30.300 0.215 0.000 1.278 602 R HN -0.038 nan 8.270 nan 0.000 0.557 603 N N 1.169 119.930 118.700 0.102 0.000 2.714 603 N HA -0.279 4.463 4.740 0.004 0.000 0.252 603 N C -1.562 174.068 175.510 0.199 0.000 1.014 603 N CA 0.930 54.047 53.050 0.111 0.000 0.735 603 N CB -0.945 37.597 38.487 0.091 0.000 0.924 603 N HN 0.369 nan 8.380 nan 0.000 0.540 604 Y N 0.046 120.399 120.300 0.087 0.000 2.341 604 Y HA 0.652 5.206 4.550 0.006 0.000 0.338 604 Y C -0.702 175.258 175.900 0.100 0.000 0.965 604 Y CA -0.870 57.290 58.100 0.101 0.000 1.108 604 Y CB 0.972 39.507 38.460 0.124 0.000 1.180 604 Y HN 0.112 nan 8.280 nan 0.000 0.458 605 L N 7.388 128.248 121.223 -0.606 0.000 2.409 605 L HA 0.427 4.769 4.340 0.004 0.000 0.272 605 L C 0.789 177.166 176.870 -0.821 0.000 0.980 605 L CA -0.643 53.874 54.840 -0.538 0.000 0.826 605 L CB 2.149 44.072 42.059 -0.228 0.000 1.268 605 L HN 0.695 nan 8.230 nan 0.000 0.407 606 K N 1.709 121.740 120.400 -0.616 0.000 2.155 606 K HA 0.108 4.431 4.320 0.004 0.000 0.203 606 K C 0.651 177.110 176.600 -0.235 0.000 1.052 606 K CA 1.042 57.139 56.287 -0.316 0.000 0.948 606 K CB 0.347 32.887 32.500 0.067 0.000 0.728 606 K HN 0.834 nan 8.250 nan 0.000 0.448 607 G N -0.176 108.353 108.800 -0.453 0.000 2.827 607 G HA2 0.252 4.215 3.960 0.004 0.000 0.296 607 G HA3 0.252 4.215 3.960 0.004 0.000 0.296 607 G C -1.715 172.596 174.900 -0.981 0.000 1.362 607 G CA -0.727 43.999 45.100 -0.623 0.000 0.809 607 G HN 0.005 nan 8.290 nan 0.000 0.522 608 K N 0.401 120.388 120.400 -0.687 0.000 2.262 608 K HA 0.498 4.821 4.320 0.004 0.000 0.282 608 K C -1.217 175.088 176.600 -0.491 0.000 1.066 608 K CA -0.256 55.732 56.287 -0.498 0.000 0.901 608 K CB 0.448 32.807 32.500 -0.236 0.000 1.089 608 K HN 0.494 nan 8.250 nan 0.000 0.476 609 Y N 1.396 121.665 120.300 -0.053 0.000 2.587 609 Y HA 0.335 4.887 4.550 0.003 0.000 0.337 609 Y C 1.392 177.263 175.900 -0.048 0.000 1.065 609 Y CA -1.201 56.867 58.100 -0.053 0.000 1.126 609 Y CB 1.458 39.878 38.460 -0.066 0.000 1.279 609 Y HN 0.440 nan 8.280 nan 0.000 0.489 610 R N 0.117 120.700 120.500 0.139 0.000 2.153 610 R HA 0.059 4.401 4.340 0.004 0.000 0.218 610 R C -0.301 176.011 176.300 0.020 0.000 1.072 610 R CA 0.409 56.538 56.100 0.049 0.000 0.990 610 R CB 0.051 30.364 30.300 0.022 0.000 0.889 610 R HN 0.293 nan 8.270 nan 0.000 0.452 611 V N 4.020 123.940 119.914 0.010 0.000 2.488 611 V HA 0.118 4.241 4.120 0.004 0.000 0.277 611 V C -2.042 174.056 176.094 0.006 0.000 1.046 611 V CA -1.631 60.647 62.300 -0.038 0.000 0.986 611 V CB 1.015 32.770 31.823 -0.113 0.000 0.989 611 V HN 0.066 nan 8.190 nan 0.000 0.475 612 P HA 0.143 nan 4.420 nan 0.000 0.269 612 P C 0.626 177.925 177.300 -0.001 0.000 1.209 612 P CA -0.071 63.033 63.100 0.006 0.000 0.776 612 P CB 0.764 32.464 31.700 0.000 0.000 0.876 613 A N 3.415 126.243 122.820 0.013 0.000 1.978 613 A HA -0.217 4.106 4.320 0.004 0.000 0.220 613 A C 1.863 179.427 177.584 -0.033 0.000 1.170 613 A CA 1.640 53.681 52.037 0.007 0.000 0.636 613 A CB -0.924 18.086 19.000 0.016 0.000 0.810 613 A HN 0.697 nan 8.150 nan 0.000 0.448 614 E N 0.250 120.419 120.200 -0.051 0.000 2.152 614 E HA -0.098 4.255 4.350 0.004 0.000 0.192 614 E C 1.841 178.374 176.600 -0.111 0.000 0.983 614 E CA 1.484 57.822 56.400 -0.103 0.000 0.818 614 E CB -0.902 28.720 29.700 -0.130 0.000 0.758 614 E HN 0.333 nan 8.360 nan 0.000 0.467 615 V N 1.958 121.822 119.914 -0.083 0.000 2.343 615 V HA -0.227 3.895 4.120 0.004 0.000 0.247 615 V C 2.656 178.697 176.094 -0.088 0.000 1.051 615 V CA 1.481 63.729 62.300 -0.087 0.000 1.036 615 V CB -0.538 31.236 31.823 -0.081 0.000 0.654 615 V HN 0.209 nan 8.190 nan 0.000 0.451 616 L N -0.771 120.407 121.223 -0.075 0.000 2.141 616 L HA -0.134 4.208 4.340 0.004 0.000 0.209 616 L C 2.408 179.248 176.870 -0.050 0.000 1.094 616 L CA 0.959 55.759 54.840 -0.067 0.000 0.763 616 L CB -0.548 41.482 42.059 -0.049 0.000 0.908 616 L HN 0.355 nan 8.230 nan 0.000 0.437 617 L N -0.375 120.803 121.223 -0.075 0.000 2.017 617 L HA -0.141 4.201 4.340 0.004 0.000 0.208 617 L C 2.343 179.172 176.870 -0.069 0.000 1.073 617 L CA 1.693 56.462 54.840 -0.118 0.000 0.745 617 L CB -0.373 41.575 42.059 -0.185 0.000 0.894 617 L HN -0.100 nan 8.230 nan 0.000 0.432 618 V N 0.091 119.957 119.914 -0.080 0.000 2.427 618 V HA -0.275 3.848 4.120 0.004 0.000 0.248 618 V C 2.307 178.387 176.094 -0.024 0.000 1.051 618 V CA 1.830 64.096 62.300 -0.057 0.000 1.048 618 V CB -0.803 30.956 31.823 -0.106 0.000 0.666 618 V HN 0.616 nan 8.190 nan 0.000 0.456 619 D N 0.353 120.729 120.400 -0.039 0.000 2.104 619 D HA -0.247 4.396 4.640 0.004 0.000 0.194 619 D C 2.117 178.423 176.300 0.011 0.000 0.994 619 D CA 1.588 55.566 54.000 -0.037 0.000 0.830 619 D CB -0.097 40.661 40.800 -0.069 0.000 0.959 619 D HN 0.254 nan 8.370 nan 0.000 0.452 620 K N 0.449 120.885 120.400 0.061 0.000 2.057 620 K HA 0.011 4.333 4.320 0.004 0.000 0.207 620 K C 1.900 178.645 176.600 0.243 0.000 1.049 620 K CA 1.586 57.968 56.287 0.159 0.000 0.931 620 K CB -0.862 31.785 32.500 0.246 0.000 0.714 620 K HN 0.144 nan 8.250 nan 0.000 0.440 621 A N 0.889 123.886 122.820 0.294 0.000 1.917 621 A HA -0.249 4.074 4.320 0.004 0.000 0.219 621 A C 2.253 179.913 177.584 0.125 0.000 1.182 621 A CA 1.921 54.137 52.037 0.299 0.000 0.633 621 A CB -0.755 18.405 19.000 0.267 0.000 0.819 621 A HN 0.511 nan 8.150 nan 0.000 0.448 622 Q N -0.170 119.663 119.800 0.054 0.000 2.084 622 Q HA -0.107 4.236 4.340 0.004 0.000 0.202 622 Q C 2.098 178.095 176.000 -0.003 0.000 0.978 622 Q CA 1.544 57.344 55.803 -0.005 0.000 0.844 622 Q CB -0.312 28.402 28.738 -0.039 0.000 0.898 622 Q HN 0.727 nan 8.270 nan 0.000 0.426 623 L N 0.270 121.499 121.223 0.010 0.000 2.083 623 L HA -0.163 4.179 4.340 0.004 0.000 0.209 623 L C 2.318 179.215 176.870 0.045 0.000 1.083 623 L CA 0.727 55.564 54.840 -0.005 0.000 0.752 623 L CB -0.326 41.719 42.059 -0.022 0.000 0.899 623 L HN 0.190 nan 8.230 nan 0.000 0.433 624 L N -0.174 121.094 121.223 0.075 0.000 2.610 624 L HA -0.037 4.305 4.340 0.004 0.000 0.232 624 L C 1.217 178.129 176.870 0.070 0.000 1.149 624 L CA 0.767 55.658 54.840 0.085 0.000 0.872 624 L CB -0.663 41.406 42.059 0.016 0.000 0.992 624 L HN 0.575 nan 8.230 nan 0.000 0.447 625 T N -3.425 111.161 114.554 0.054 0.000 4.886 625 T HA -0.228 4.125 4.350 0.004 0.000 0.295 625 T C 0.018 174.725 174.700 0.012 0.000 1.495 625 T CA 0.459 62.571 62.100 0.020 0.000 2.670 625 T CB -2.667 66.224 68.868 0.038 0.000 1.686 625 T HN 0.190 nan 8.240 nan 0.000 0.981 626 L N 1.999 123.240 121.223 0.031 0.000 2.350 626 L HA 0.636 4.978 4.340 0.004 0.000 0.275 626 L C 1.380 178.284 176.870 0.056 0.000 1.099 626 L CA -0.451 54.420 54.840 0.052 0.000 0.808 626 L CB 1.309 43.425 42.059 0.094 0.000 1.149 626 L HN 0.568 nan 8.230 nan 0.000 0.442 627 S N 1.500 117.260 115.700 0.099 0.000 2.634 627 S HA 0.374 4.846 4.470 0.004 0.000 0.261 627 S C 1.072 175.790 174.600 0.196 0.000 1.271 627 S CA -0.147 58.152 58.200 0.165 0.000 0.985 627 S CB 1.501 64.867 63.200 0.277 0.000 0.968 627 S HN 0.690 nan 8.310 nan 0.000 0.568 628 A N 1.030 124.049 122.820 0.332 0.000 1.877 628 A HA 0.096 4.419 4.320 0.004 0.000 0.216 628 A C -0.383 177.380 177.584 0.298 0.000 1.186 628 A CA 1.431 53.640 52.037 0.285 0.000 0.620 628 A CB -2.177 17.030 19.000 0.346 0.000 0.822 628 A HN 0.728 nan 8.150 nan 0.000 0.443 629 P HA -0.140 nan 4.420 nan 0.000 0.215 629 P C 1.146 178.575 177.300 0.214 0.000 1.153 629 P CA 1.452 64.718 63.100 0.277 0.000 0.853 629 P CB -0.080 31.765 31.700 0.242 0.000 0.788 630 E N -0.839 119.465 120.200 0.173 0.000 2.051 630 E HA -0.199 4.153 4.350 0.004 0.000 0.192 630 E C 2.019 178.703 176.600 0.141 0.000 0.991 630 E CA 1.109 57.572 56.400 0.107 0.000 0.799 630 E CB -0.564 29.182 29.700 0.077 0.000 0.748 630 E HN 0.213 nan 8.360 nan 0.000 0.449 631 M N 0.751 120.492 119.600 0.236 0.000 2.080 631 M HA -0.198 4.285 4.480 0.004 0.000 0.260 631 M C 2.061 178.578 176.300 0.360 0.000 1.068 631 M CA 1.754 57.290 55.300 0.394 0.000 1.109 631 M CB -0.190 32.647 32.600 0.394 0.000 1.342 631 M HN 0.015 nan 8.290 nan 0.000 0.405 632 T N 0.540 115.288 114.554 0.323 0.000 2.652 632 T HA -0.139 4.214 4.350 0.004 0.000 0.267 632 T C 1.762 176.549 174.700 0.145 0.000 1.039 632 T CA 1.916 64.171 62.100 0.257 0.000 1.153 632 T CB -0.544 68.561 68.868 0.395 0.000 0.863 632 T HN 0.307 nan 8.240 nan 0.000 0.428 633 V N 1.465 121.393 119.914 0.025 0.000 2.358 633 V HA -0.094 4.029 4.120 0.004 0.000 0.246 633 V C 2.408 178.626 176.094 0.207 0.000 1.047 633 V CA 1.233 63.509 62.300 -0.040 0.000 1.035 633 V CB -0.762 30.859 31.823 -0.337 0.000 0.658 633 V HN 0.289 nan 8.190 nan 0.000 0.452 634 L N -0.189 121.108 121.223 0.124 0.000 1.989 634 L HA -0.167 4.176 4.340 0.004 0.000 0.211 634 L C 2.243 179.215 176.870 0.169 0.000 1.071 634 L CA 1.943 56.861 54.840 0.130 0.000 0.749 634 L CB -0.621 41.420 42.059 -0.031 0.000 0.890 634 L HN 0.273 nan 8.230 nan 0.000 0.431 635 L N -0.927 120.356 121.223 0.100 0.000 2.017 635 L HA -0.085 4.257 4.340 0.004 0.000 0.208 635 L C 2.336 178.866 176.870 -0.566 0.000 1.073 635 L CA 1.775 56.512 54.840 -0.171 0.000 0.745 635 L CB -1.001 40.837 42.059 -0.368 0.000 0.894 635 L HN 0.397 nan 8.230 nan 0.000 0.432 636 G N -1.090 107.302 108.800 -0.681 0.000 2.442 636 G HA2 -0.249 3.713 3.960 0.004 0.000 0.219 636 G HA3 -0.249 3.713 3.960 0.004 0.000 0.219 636 G C 1.430 176.064 174.900 -0.443 0.000 1.141 636 G CA 0.673 45.138 45.100 -1.059 0.000 0.763 636 G HN 0.575 nan 8.290 nan 0.000 0.554 637 G N 0.683 109.477 108.800 -0.009 0.000 2.394 637 G HA2 -0.072 3.891 3.960 0.004 0.000 0.214 637 G HA3 -0.072 3.891 3.960 0.004 0.000 0.214 637 G C 1.804 176.519 174.900 -0.309 0.000 1.176 637 G CA 0.569 45.553 45.100 -0.193 0.000 0.786 637 G HN 0.407 nan 8.290 nan 0.000 0.533 638 L N -0.015 121.132 121.223 -0.127 0.000 2.042 638 L HA -0.085 4.257 4.340 0.004 0.000 0.210 638 L C 3.205 179.936 176.870 -0.231 0.000 1.076 638 L CA 0.780 55.523 54.840 -0.161 0.000 0.749 638 L CB -0.329 41.606 42.059 -0.208 0.000 0.893 638 L HN 0.077 nan 8.230 nan 0.000 0.432 639 R N 0.078 120.381 120.500 -0.328 0.000 2.096 639 R HA -0.155 4.187 4.340 0.004 0.000 0.240 639 R C 2.180 178.345 176.300 -0.226 0.000 1.139 639 R CA 1.917 57.825 56.100 -0.321 0.000 0.952 639 R CB -1.096 28.902 30.300 -0.503 0.000 0.854 639 R HN 0.472 nan 8.270 nan 0.000 0.436 640 V N -1.672 118.104 119.914 -0.230 0.000 3.306 640 V HA 0.032 4.155 4.120 0.004 0.000 0.264 640 V C 1.995 178.003 176.094 -0.143 0.000 1.149 640 V CA 1.041 63.243 62.300 -0.162 0.000 1.143 640 V CB -0.487 31.243 31.823 -0.155 0.000 0.767 640 V HN 0.097 nan 8.190 nan 0.000 0.476 641 L N 1.354 122.471 121.223 -0.177 0.000 2.509 641 L HA 0.447 4.789 4.340 0.004 0.000 0.222 641 L C 1.771 178.581 176.870 -0.099 0.000 1.123 641 L CA 0.818 55.563 54.840 -0.158 0.000 0.856 641 L CB -0.459 41.471 42.059 -0.216 0.000 0.985 641 L HN 0.626 nan 8.230 nan 0.000 0.456 642 G N 0.043 108.791 108.800 -0.088 0.000 2.203 642 G HA2 -0.240 3.723 3.960 0.004 0.000 0.231 642 G HA3 -0.240 3.723 3.960 0.004 0.000 0.231 642 G C 0.674 175.556 174.900 -0.030 0.000 1.058 642 G CA 0.178 45.249 45.100 -0.049 0.000 0.781 642 G HN 0.382 nan 8.290 nan 0.000 0.496 643 A N -0.591 122.198 122.820 -0.051 0.000 2.218 643 A HA 0.348 4.671 4.320 0.004 0.000 0.209 643 A C 1.164 178.745 177.584 -0.005 0.000 1.168 643 A CA 0.506 52.528 52.037 -0.024 0.000 0.804 643 A CB -0.066 18.881 19.000 -0.088 0.000 0.834 643 A HN 0.454 nan 8.150 nan 0.000 0.482 644 N N 0.469 119.160 118.700 -0.015 0.000 2.412 644 N HA 0.178 4.921 4.740 0.004 0.000 0.254 644 N C -0.123 175.422 175.510 0.057 0.000 1.232 644 N CA 0.175 53.239 53.050 0.023 0.000 0.880 644 N CB 0.687 39.180 38.487 0.010 0.000 1.076 644 N HN 0.035 nan 8.380 nan 0.000 0.458 645 V N 1.643 121.616 119.914 0.098 0.000 2.694 645 V HA 0.150 4.272 4.120 0.004 0.000 0.306 645 V C 1.538 177.687 176.094 0.091 0.000 1.054 645 V CA 1.071 63.431 62.300 0.099 0.000 1.161 645 V CB 0.322 32.228 31.823 0.137 0.000 0.916 645 V HN 0.977 nan 8.190 nan 0.000 0.490 646 G N 3.666 112.507 108.800 0.069 0.000 2.168 646 G HA2 -0.287 3.676 3.960 0.004 0.000 0.257 646 G HA3 -0.287 3.676 3.960 0.004 0.000 0.257 646 G C 0.353 175.270 174.900 0.029 0.000 0.997 646 G CA 0.276 45.408 45.100 0.053 0.000 0.708 646 G HN 0.875 nan 8.290 nan 0.000 0.520 647 Q N -1.373 118.443 119.800 0.025 0.000 2.411 647 Q HA -0.225 4.118 4.340 0.004 0.000 0.305 647 Q C 0.905 176.898 176.000 -0.011 0.000 1.273 647 Q CA 1.429 57.238 55.803 0.010 0.000 0.895 647 Q CB -1.954 26.790 28.738 0.011 0.000 1.198 647 Q HN 1.474 nan 8.270 nan 0.000 0.470 648 S N -0.035 115.650 115.700 -0.024 0.000 2.558 648 S HA 0.110 4.583 4.470 0.004 0.000 0.288 648 S C 1.228 175.782 174.600 -0.076 0.000 1.318 648 S CA -0.199 57.940 58.200 -0.102 0.000 1.056 648 S CB 0.629 63.758 63.200 -0.117 0.000 0.853 648 S HN 0.251 nan 8.310 nan 0.000 0.505 649 R N 2.334 122.773 120.500 -0.101 0.000 2.310 649 R HA 0.098 4.441 4.340 0.004 0.000 0.202 649 R C 0.046 176.422 176.300 0.126 0.000 0.933 649 R CA 0.227 56.347 56.100 0.033 0.000 1.054 649 R CB -1.099 29.259 30.300 0.096 0.000 0.985 649 R HN 0.740 nan 8.270 nan 0.000 0.489 650 H N 0.384 119.516 119.070 0.103 0.000 3.145 650 H HA 0.097 4.655 4.556 0.005 0.000 0.288 650 H C 1.183 176.478 175.328 -0.055 0.000 0.969 650 H CA 0.488 56.601 56.048 0.108 0.000 1.444 650 H CB 0.321 30.145 29.762 0.104 0.000 1.500 650 H HN 0.420 nan 8.280 nan 0.000 0.552 651 G N 2.625 111.365 108.800 -0.100 0.000 2.179 651 G HA2 -0.305 3.658 3.960 0.004 0.000 0.260 651 G HA3 -0.305 3.658 3.960 0.004 0.000 0.260 651 G C 0.366 174.710 174.900 -0.927 0.000 0.977 651 G CA 0.203 44.790 45.100 -0.855 0.000 0.641 651 G HN 0.534 nan 8.290 nan 0.000 0.533 652 V N 1.908 121.594 119.914 -0.381 0.000 2.153 652 V HA 0.335 4.458 4.120 0.004 0.000 0.250 652 V C 0.634 176.664 176.094 -0.108 0.000 1.334 652 V CA -0.041 62.146 62.300 -0.189 0.000 1.249 652 V CB -0.780 31.031 31.823 -0.020 0.000 1.371 652 V HN 0.330 nan 8.190 nan 0.000 0.498 653 F N 2.172 121.910 119.950 -0.354 0.000 2.669 653 F HA 0.398 4.928 4.527 0.005 0.000 0.353 653 F C 0.897 176.279 175.800 -0.697 0.000 1.192 653 F CA -0.200 57.145 58.000 -1.092 0.000 1.317 653 F CB 0.402 38.685 39.000 -1.195 0.000 1.652 653 F HN 0.406 nan 8.300 nan 0.000 0.608 654 T N -0.259 114.252 114.554 -0.072 0.000 2.889 654 T HA 0.550 4.902 4.350 0.004 0.000 0.315 654 T C -0.017 174.851 174.700 0.279 0.000 1.291 654 T CA -0.249 61.919 62.100 0.113 0.000 1.028 654 T CB 1.702 70.581 68.868 0.020 0.000 1.235 654 T HN 0.231 nan 8.240 nan 0.000 0.491 655 A N 3.100 126.061 122.820 0.236 0.000 2.423 655 A HA 0.354 4.676 4.320 0.004 0.000 0.246 655 A C 0.876 178.518 177.584 0.097 0.000 1.278 655 A CA -0.227 51.913 52.037 0.171 0.000 0.903 655 A CB -0.139 18.947 19.000 0.143 0.000 0.997 655 A HN 0.683 nan 8.150 nan 0.000 0.510 656 R N 0.379 120.925 120.500 0.076 0.000 2.674 656 R HA 0.349 4.691 4.340 0.004 0.000 0.270 656 R C -0.564 175.748 176.300 0.020 0.000 1.492 656 R CA -0.425 55.699 56.100 0.041 0.000 1.624 656 R CB -0.136 30.184 30.300 0.034 0.000 1.307 656 R HN 0.345 nan 8.270 nan 0.000 0.683 657 E N 1.953 122.167 120.200 0.023 0.000 2.437 657 E HA -0.127 4.225 4.350 0.004 0.000 0.263 657 E C -0.251 176.338 176.600 -0.019 0.000 1.030 657 E CA 0.692 57.090 56.400 -0.003 0.000 0.934 657 E CB 0.455 30.161 29.700 0.009 0.000 0.943 657 E HN 0.491 nan 8.360 nan 0.000 0.444 658 Q N -1.254 118.519 119.800 -0.045 0.000 2.424 658 Q HA -0.249 4.093 4.340 0.004 0.000 0.234 658 Q C -1.069 174.899 176.000 -0.053 0.000 0.748 658 Q CA 0.640 56.409 55.803 -0.055 0.000 1.286 658 Q CB -1.767 26.949 28.738 -0.036 0.000 1.494 658 Q HN 0.492 nan 8.270 nan 0.000 0.683 659 A N 0.870 123.663 122.820 -0.044 0.000 2.303 659 A HA 0.623 4.946 4.320 0.004 0.000 0.320 659 A C -0.422 177.135 177.584 -0.045 0.000 1.192 659 A CA -0.585 51.437 52.037 -0.026 0.000 0.821 659 A CB 0.968 19.971 19.000 0.004 0.000 1.188 659 A HN 0.184 nan 8.150 nan 0.000 0.492 660 L N 4.106 125.302 121.223 -0.045 0.000 2.385 660 L HA 0.468 4.810 4.340 0.004 0.000 0.285 660 L C 0.574 177.494 176.870 0.083 0.000 1.125 660 L CA 0.939 55.744 54.840 -0.059 0.000 0.890 660 L CB -0.411 41.556 42.059 -0.153 0.000 1.251 660 L HN 0.855 nan 8.230 nan 0.000 0.445 661 T N 0.289 114.879 114.554 0.059 0.000 2.838 661 T HA 0.396 4.749 4.350 0.004 0.000 0.292 661 T C 0.505 174.939 174.700 -0.444 0.000 1.113 661 T CA -0.497 61.596 62.100 -0.012 0.000 1.008 661 T CB 1.167 70.030 68.868 -0.009 0.000 1.259 661 T HN 0.475 nan 8.240 nan 0.000 0.520 662 N N -0.132 118.246 118.700 -0.537 0.000 2.362 662 N HA 0.054 4.796 4.740 0.004 0.000 0.211 662 N C 0.229 175.621 175.510 -0.197 0.000 1.170 662 N CA -0.090 52.558 53.050 -0.670 0.000 0.828 662 N CB -0.349 37.929 38.487 -0.348 0.000 1.034 662 N HN 0.537 nan 8.380 nan 0.000 0.475 663 D N 0.703 120.998 120.400 -0.175 0.000 2.158 663 D HA -0.177 4.465 4.640 0.004 0.000 0.197 663 D C 1.231 177.454 176.300 -0.127 0.000 0.995 663 D CA 0.733 54.677 54.000 -0.093 0.000 0.846 663 D CB -0.365 40.397 40.800 -0.062 0.000 0.941 663 D HN 0.356 nan 8.370 nan 0.000 0.456 664 F N 0.310 120.029 119.950 -0.385 0.000 2.091 664 F HA -0.253 4.277 4.527 0.005 0.000 0.299 664 F C 1.903 177.466 175.800 -0.394 0.000 1.103 664 F CA 1.526 59.232 58.000 -0.490 0.000 1.228 664 F CB -0.396 38.082 39.000 -0.869 0.000 0.984 664 F HN -0.091 nan 8.300 nan 0.000 0.477 665 F N -0.680 119.249 119.950 -0.035 0.000 2.149 665 F HA -0.110 4.420 4.527 0.004 0.000 0.294 665 F C 2.313 178.054 175.800 -0.098 0.000 1.095 665 F CA 1.144 59.112 58.000 -0.053 0.000 1.276 665 F CB -1.126 37.914 39.000 0.067 0.000 1.023 665 F HN -0.251 nan 8.300 nan 0.000 0.480 666 V N 0.527 120.499 119.914 0.098 0.000 2.287 666 V HA -0.297 3.826 4.120 0.004 0.000 0.248 666 V C 2.105 178.188 176.094 -0.019 0.000 1.053 666 V CA 2.014 64.341 62.300 0.044 0.000 1.027 666 V CB -0.627 31.220 31.823 0.040 0.000 0.646 666 V HN 0.366 nan 8.190 nan 0.000 0.447 667 N N -0.090 118.550 118.700 -0.100 0.000 2.216 667 N HA -0.090 4.652 4.740 0.004 0.000 0.183 667 N C 1.745 177.087 175.510 -0.280 0.000 1.017 667 N CA 1.184 54.136 53.050 -0.163 0.000 0.861 667 N CB -0.383 37.911 38.487 -0.322 0.000 0.986 667 N HN 0.394 nan 8.380 nan 0.000 0.428 668 L N 1.287 122.269 121.223 -0.401 0.000 2.042 668 L HA -0.061 4.281 4.340 0.004 0.000 0.210 668 L C 1.598 178.382 176.870 -0.143 0.000 1.076 668 L CA 1.552 56.149 54.840 -0.405 0.000 0.749 668 L CB -0.449 41.295 42.059 -0.525 0.000 0.893 668 L HN 0.105 nan 8.230 nan 0.000 0.432 669 L N -0.496 120.690 121.223 -0.062 0.000 2.611 669 L HA 0.113 4.456 4.340 0.004 0.000 0.229 669 L C 0.195 177.083 176.870 0.031 0.000 1.137 669 L CA -0.278 54.568 54.840 0.009 0.000 0.901 669 L CB -0.566 41.518 42.059 0.042 0.000 1.098 669 L HN 0.162 nan 8.230 nan 0.000 0.456 670 D N 1.003 121.424 120.400 0.035 0.000 2.346 670 D HA -0.035 4.608 4.640 0.004 0.000 0.260 670 D C 0.929 177.268 176.300 0.064 0.000 1.252 670 D CA 0.018 54.048 54.000 0.050 0.000 0.895 670 D CB 1.220 42.057 40.800 0.062 0.000 1.097 670 D HN -0.059 nan 8.370 nan 0.000 0.489 671 M N 3.411 123.038 119.600 0.045 0.000 2.630 671 M HA 0.114 4.597 4.480 0.004 0.000 0.254 671 M C 1.756 178.067 176.300 0.018 0.000 1.092 671 M CA 0.721 56.045 55.300 0.040 0.000 1.087 671 M CB -0.304 32.311 32.600 0.026 0.000 1.453 671 M HN 0.405 nan 8.290 nan 0.000 0.509 672 G N -0.838 107.967 108.800 0.008 0.000 2.559 672 G HA2 -0.068 3.894 3.960 0.004 0.000 0.216 672 G HA3 -0.068 3.894 3.960 0.004 0.000 0.216 672 G C 0.386 175.252 174.900 -0.057 0.000 1.126 672 G CA 0.680 45.768 45.100 -0.021 0.000 0.778 672 G HN 0.464 nan 8.290 nan 0.000 0.543 673 T N 0.118 114.638 114.554 -0.057 0.000 2.797 673 T HA 0.463 4.816 4.350 0.004 0.000 0.279 673 T C -0.718 173.868 174.700 -0.189 0.000 0.991 673 T CA -0.474 61.516 62.100 -0.183 0.000 0.979 673 T CB 2.556 71.289 68.868 -0.225 0.000 0.943 673 T HN 0.236 nan 8.240 nan 0.000 0.444 674 E N 2.103 122.143 120.200 -0.266 0.000 2.191 674 E HA 0.388 4.741 4.350 0.004 0.000 0.278 674 E C -1.325 175.101 176.600 -0.290 0.000 0.972 674 E CA -0.824 55.487 56.400 -0.150 0.000 0.804 674 E CB 1.004 30.659 29.700 -0.075 0.000 1.110 674 E HN 0.546 nan 8.360 nan 0.000 0.394 675 W N 3.297 124.608 121.300 0.020 0.000 2.573 675 W HA 0.480 5.142 4.660 0.004 0.000 0.326 675 W C -0.270 176.317 176.519 0.112 0.000 1.049 675 W CA -0.631 56.753 57.345 0.064 0.000 1.220 675 W CB 1.481 30.953 29.460 0.019 0.000 1.373 675 W HN 0.254 nan 8.180 nan 0.000 0.507 676 K N 3.239 123.874 120.400 0.391 0.000 2.502 676 K HA 0.403 4.725 4.320 0.004 0.000 0.257 676 K C -2.643 174.158 176.600 0.336 0.000 0.938 676 K CA -1.932 54.543 56.287 0.313 0.000 0.819 676 K CB 2.682 35.272 32.500 0.149 0.000 1.333 676 K HN 0.040 nan 8.250 nan 0.000 0.434 677 P HA -0.014 nan 4.420 nan 0.000 0.272 677 P C -0.372 176.863 177.300 -0.109 0.000 1.223 677 P CA -0.214 62.771 63.100 -0.192 0.000 0.784 677 P CB 0.398 31.942 31.700 -0.259 0.000 0.923 678 T N -1.695 112.756 114.554 -0.172 0.000 2.899 678 T HA 0.385 4.737 4.350 0.004 0.000 0.295 678 T C 1.501 176.157 174.700 -0.074 0.000 1.033 678 T CA -0.110 61.942 62.100 -0.080 0.000 1.084 678 T CB 0.667 69.498 68.868 -0.062 0.000 0.979 678 T HN 0.404 nan 8.240 nan 0.000 0.532 679 A N 1.903 124.700 122.820 -0.038 0.000 1.902 679 A HA 0.202 4.524 4.320 0.004 0.000 0.217 679 A C 2.595 180.158 177.584 -0.036 0.000 1.181 679 A CA 1.562 53.580 52.037 -0.031 0.000 0.623 679 A CB -1.431 17.559 19.000 -0.017 0.000 0.818 679 A HN 1.238 nan 8.150 nan 0.000 0.443 680 A N -1.801 121.000 122.820 -0.032 0.000 2.066 680 A HA 0.134 4.457 4.320 0.004 0.000 0.218 680 A C 0.690 178.248 177.584 -0.044 0.000 1.157 680 A CA 1.447 53.467 52.037 -0.028 0.000 0.670 680 A CB -0.028 18.965 19.000 -0.013 0.000 0.804 680 A HN 0.416 nan 8.150 nan 0.000 0.453 681 D N -2.632 117.725 120.400 -0.072 0.000 2.591 681 D HA 0.470 5.112 4.640 0.004 0.000 0.222 681 D C 0.368 176.558 176.300 -0.184 0.000 1.360 681 D CA 0.282 54.221 54.000 -0.102 0.000 0.967 681 D CB 1.090 41.841 40.800 -0.082 0.000 1.456 681 D HN 0.007 nan 8.370 nan 0.000 0.588 682 A N 2.964 125.677 122.820 -0.178 0.000 2.121 682 A HA -0.079 4.243 4.320 0.004 0.000 0.218 682 A C 1.219 178.553 177.584 -0.416 0.000 1.154 682 A CA 0.973 52.857 52.037 -0.255 0.000 0.679 682 A CB 0.085 19.007 19.000 -0.130 0.000 0.795 682 A HN 0.479 nan 8.150 nan 0.000 0.458 683 D N -0.771 119.451 120.400 -0.298 0.000 2.339 683 D HA 0.184 4.826 4.640 0.004 0.000 0.217 683 D C -0.082 176.043 176.300 -0.292 0.000 1.050 683 D CA 0.414 54.282 54.000 -0.220 0.000 0.856 683 D CB 0.495 41.246 40.800 -0.082 0.000 0.922 683 D HN 0.176 nan 8.370 nan 0.000 0.518 684 V N 0.846 120.470 119.914 -0.483 0.000 2.680 684 V HA 0.441 4.564 4.120 0.004 0.000 0.309 684 V C -0.651 175.134 176.094 -0.516 0.000 1.052 684 V CA -0.788 61.303 62.300 -0.348 0.000 0.908 684 V CB 1.952 33.647 31.823 -0.212 0.000 1.001 684 V HN -0.176 nan 8.190 nan 0.000 0.431 685 F N 1.198 121.196 119.950 0.080 0.000 2.551 685 F HA 0.568 5.098 4.527 0.004 0.000 0.316 685 F C 0.261 176.268 175.800 0.346 0.000 1.089 685 F CA -0.725 57.409 58.000 0.223 0.000 0.915 685 F CB 1.870 41.033 39.000 0.271 0.000 1.186 685 F HN 0.390 nan 8.300 nan 0.000 0.456 686 E N 0.824 121.280 120.200 0.427 0.000 2.166 686 E HA 0.550 4.903 4.350 0.004 0.000 0.275 686 E C -0.308 176.291 176.600 -0.001 0.000 0.941 686 E CA -0.760 55.773 56.400 0.221 0.000 0.784 686 E CB 1.946 31.698 29.700 0.086 0.000 1.115 686 E HN 0.802 nan 8.360 nan 0.000 0.399 687 G N 3.258 111.759 108.800 -0.497 0.000 2.415 687 G HA2 0.382 4.344 3.960 0.004 0.000 0.317 687 G HA3 0.382 4.344 3.960 0.004 0.000 0.317 687 G C -0.380 174.107 174.900 -0.689 0.000 1.152 687 G CA -0.506 43.785 45.100 -1.350 0.000 0.956 687 G HN 0.330 nan 8.290 nan 0.000 0.458 688 R N 1.941 122.135 120.500 -0.510 0.000 2.589 688 R HA 0.247 4.590 4.340 0.004 0.000 0.293 688 R C -0.658 175.471 176.300 -0.285 0.000 0.963 688 R CA -0.935 54.972 56.100 -0.321 0.000 0.905 688 R CB 2.002 32.181 30.300 -0.202 0.000 1.144 688 R HN 0.540 nan 8.270 nan 0.000 0.459 689 D N 1.927 122.186 120.400 -0.235 0.000 2.531 689 D HA -0.071 4.571 4.640 0.004 0.000 0.239 689 D C 0.717 176.939 176.300 -0.130 0.000 1.144 689 D CA 0.564 54.460 54.000 -0.173 0.000 0.869 689 D CB 0.820 41.529 40.800 -0.152 0.000 1.160 689 D HN 0.422 nan 8.370 nan 0.000 0.484 690 R N 2.765 123.202 120.500 -0.105 0.000 2.120 690 R HA -0.143 4.199 4.340 0.004 0.000 0.234 690 R C 1.851 178.115 176.300 -0.060 0.000 1.123 690 R CA 1.421 57.477 56.100 -0.074 0.000 0.975 690 R CB 0.033 30.301 30.300 -0.053 0.000 0.866 690 R HN 0.495 nan 8.270 nan 0.000 0.446 691 A N 0.141 122.924 122.820 -0.061 0.000 1.861 691 A HA -0.100 4.222 4.320 0.004 0.000 0.212 691 A C 2.176 179.728 177.584 -0.053 0.000 1.199 691 A CA 1.651 53.658 52.037 -0.050 0.000 0.613 691 A CB -0.513 18.460 19.000 -0.046 0.000 0.846 691 A HN 0.423 nan 8.150 nan 0.000 0.446 692 T N -5.008 109.507 114.554 -0.065 0.000 3.044 692 T HA 0.396 4.749 4.350 0.004 0.000 0.255 692 T C 1.501 176.160 174.700 -0.069 0.000 1.073 692 T CA 1.242 63.303 62.100 -0.064 0.000 1.125 692 T CB 0.186 69.011 68.868 -0.072 0.000 0.908 692 T HN 1.747 nan 8.240 nan 0.000 0.480 693 G N 1.369 110.119 108.800 -0.083 0.000 2.179 693 G HA2 -0.268 3.695 3.960 0.004 0.000 0.260 693 G HA3 -0.268 3.695 3.960 0.004 0.000 0.260 693 G C -0.154 174.684 174.900 -0.103 0.000 0.977 693 G CA 0.257 45.305 45.100 -0.087 0.000 0.641 693 G HN 0.870 nan 8.290 nan 0.000 0.533 694 E N 0.167 120.297 120.200 -0.117 0.000 2.384 694 E HA 0.364 4.716 4.350 0.004 0.000 0.266 694 E C 0.467 176.961 176.600 -0.177 0.000 1.012 694 E CA -0.809 55.512 56.400 -0.132 0.000 0.901 694 E CB 0.358 29.976 29.700 -0.137 0.000 0.967 694 E HN 0.332 nan 8.360 nan 0.000 0.435 695 L N 5.227 126.352 121.223 -0.164 0.000 2.477 695 L HA 0.046 4.389 4.340 0.004 0.000 0.272 695 L C 0.440 177.138 176.870 -0.287 0.000 1.157 695 L CA 0.862 55.586 54.840 -0.193 0.000 0.889 695 L CB 0.506 42.495 42.059 -0.117 0.000 1.158 695 L HN 0.611 nan 8.230 nan 0.000 0.473 696 K N 3.538 123.682 120.400 -0.427 0.000 2.306 696 K HA 0.239 4.562 4.320 0.004 0.000 0.200 696 K C -0.794 175.302 176.600 -0.841 0.000 1.083 696 K CA 0.611 56.427 56.287 -0.786 0.000 0.959 696 K CB 0.306 32.202 32.500 -1.007 0.000 0.994 696 K HN 0.578 nan 8.250 nan 0.000 0.492 697 W N 0.284 121.505 121.300 -0.131 0.000 3.075 697 W HA 0.321 4.983 4.660 0.004 0.000 0.334 697 W C -0.785 175.847 176.519 0.189 0.000 1.243 697 W CA -1.072 56.320 57.345 0.079 0.000 1.170 697 W CB 1.062 30.578 29.460 0.093 0.000 1.452 697 W HN -0.221 nan 8.180 nan 0.000 0.572 698 T N -0.731 114.253 114.554 0.717 0.000 2.907 698 T HA 0.932 5.284 4.350 0.004 0.000 0.292 698 T C -0.464 174.719 174.700 0.805 0.000 1.043 698 T CA -0.666 61.843 62.100 0.681 0.000 1.003 698 T CB 1.968 71.162 68.868 0.544 0.000 1.084 698 T HN 0.954 nan 8.240 nan 0.000 0.483 699 G N 0.533 109.705 108.800 0.619 0.000 2.692 699 G HA2 0.674 4.637 3.960 0.004 0.000 0.291 699 G HA3 0.674 4.637 3.960 0.004 0.000 0.291 699 G C -0.448 174.562 174.900 0.184 0.000 1.423 699 G CA -0.356 44.976 45.100 0.386 0.000 0.843 699 G HN 1.080 nan 8.290 nan 0.000 0.486 700 T N -2.191 112.419 114.554 0.094 0.000 2.893 700 T HA 0.405 4.757 4.350 0.004 0.000 0.279 700 T C 1.373 176.173 174.700 0.166 0.000 0.991 700 T CA -0.589 61.580 62.100 0.115 0.000 0.950 700 T CB 1.721 70.608 68.868 0.032 0.000 1.223 700 T HN 0.447 nan 8.240 nan 0.000 0.585 701 R N -0.421 120.197 120.500 0.198 0.000 2.096 701 R HA -0.037 4.306 4.340 0.004 0.000 0.235 701 R C 2.321 178.609 176.300 -0.019 0.000 1.127 701 R CA 1.114 57.258 56.100 0.072 0.000 0.968 701 R CB -0.985 29.380 30.300 0.108 0.000 0.861 701 R HN 0.462 nan 8.270 nan 0.000 0.440 702 V N 1.717 121.641 119.914 0.017 0.000 2.407 702 V HA -0.237 3.885 4.120 0.004 0.000 0.248 702 V C 1.628 177.809 176.094 0.144 0.000 1.055 702 V CA 1.873 64.190 62.300 0.027 0.000 1.049 702 V CB -0.409 31.417 31.823 0.005 0.000 0.662 702 V HN 0.286 nan 8.190 nan 0.000 0.455 703 D N 0.129 120.598 120.400 0.116 0.000 2.084 703 D HA -0.089 4.554 4.640 0.004 0.000 0.196 703 D C 2.092 178.501 176.300 0.182 0.000 0.985 703 D CA 1.211 55.336 54.000 0.208 0.000 0.826 703 D CB -0.180 40.682 40.800 0.102 0.000 0.978 703 D HN 0.324 nan 8.370 nan 0.000 0.456 704 L N 0.799 121.962 121.223 -0.100 0.000 2.395 704 L HA -0.020 4.323 4.340 0.004 0.000 0.218 704 L C 2.457 179.192 176.870 -0.225 0.000 1.130 704 L CA 0.115 54.754 54.840 -0.334 0.000 0.826 704 L CB -0.080 41.559 42.059 -0.701 0.000 0.941 704 L HN -0.076 nan 8.230 nan 0.000 0.451 705 V N -0.091 119.728 119.914 -0.159 0.000 2.594 705 V HA -0.278 3.845 4.120 0.004 0.000 0.253 705 V C 2.141 178.099 176.094 -0.227 0.000 1.069 705 V CA 1.743 63.909 62.300 -0.223 0.000 1.082 705 V CB -0.376 31.266 31.823 -0.301 0.000 0.680 705 V HN 0.283 nan 8.190 nan 0.000 0.469 706 F N 0.868 120.820 119.950 0.004 0.000 2.451 706 F HA 0.090 4.619 4.527 0.004 0.000 0.299 706 F C 2.126 177.954 175.800 0.046 0.000 1.101 706 F CA 1.209 59.264 58.000 0.092 0.000 1.436 706 F CB -0.457 38.687 39.000 0.241 0.000 1.074 706 F HN 0.314 nan 8.300 nan 0.000 0.553 707 G N -2.221 106.613 108.800 0.057 0.000 3.159 707 G HA2 0.072 4.035 3.960 0.004 0.000 0.232 707 G HA3 0.072 4.035 3.960 0.004 0.000 0.232 707 G C 1.302 176.155 174.900 -0.080 0.000 1.116 707 G CA 0.687 45.767 45.100 -0.034 0.000 0.767 707 G HN 0.320 nan 8.290 nan 0.000 0.547 708 S N -0.896 114.752 115.700 -0.087 0.000 2.979 708 S HA 0.128 4.600 4.470 0.004 0.000 0.243 708 S C 0.749 175.298 174.600 -0.085 0.000 1.036 708 S CA -0.337 57.798 58.200 -0.109 0.000 0.846 708 S CB -0.331 62.777 63.200 -0.153 0.000 0.806 708 S HN 0.317 nan 8.310 nan 0.000 0.568 709 H N 2.792 121.772 119.070 -0.149 0.000 3.070 709 H HA 0.106 4.665 4.556 0.005 0.000 0.313 709 H C 1.520 176.790 175.328 -0.096 0.000 0.997 709 H CA 1.051 57.017 56.048 -0.137 0.000 1.438 709 H CB 1.177 30.843 29.762 -0.161 0.000 1.455 709 H HN 0.538 nan 8.280 nan 0.000 0.575 710 S N 2.843 118.327 115.700 -0.360 0.000 2.402 710 S HA -0.191 4.281 4.470 0.004 0.000 0.229 710 S C 1.865 176.460 174.600 -0.008 0.000 1.021 710 S CA 1.184 59.279 58.200 -0.174 0.000 0.974 710 S CB -0.029 63.028 63.200 -0.238 0.000 0.800 710 S HN 0.774 nan 8.310 nan 0.000 0.484 711 Q N 0.650 120.532 119.800 0.137 0.000 2.096 711 Q HA 0.148 4.490 4.340 0.004 0.000 0.197 711 Q C 2.194 178.332 176.000 0.231 0.000 0.964 711 Q CA 0.998 56.939 55.803 0.230 0.000 0.838 711 Q CB -0.178 28.759 28.738 0.332 0.000 0.906 711 Q HN 0.581 nan 8.270 nan 0.000 0.444 712 L N 0.067 121.462 121.223 0.286 0.000 2.093 712 L HA -0.143 4.200 4.340 0.004 0.000 0.208 712 L C 2.684 179.697 176.870 0.240 0.000 1.085 712 L CA 1.035 55.981 54.840 0.176 0.000 0.755 712 L CB -0.395 41.615 42.059 -0.081 0.000 0.904 712 L HN 0.218 nan 8.230 nan 0.000 0.435 713 R N 0.348 120.953 120.500 0.175 0.000 2.096 713 R HA -0.163 4.180 4.340 0.004 0.000 0.235 713 R C 2.319 178.697 176.300 0.129 0.000 1.127 713 R CA 1.299 57.490 56.100 0.150 0.000 0.968 713 R CB -0.159 30.183 30.300 0.070 0.000 0.861 713 R HN 0.338 nan 8.270 nan 0.000 0.440 714 A N 0.918 123.800 122.820 0.102 0.000 1.933 714 A HA -0.124 4.198 4.320 0.004 0.000 0.218 714 A C 2.122 179.751 177.584 0.075 0.000 1.175 714 A CA 1.130 53.208 52.037 0.068 0.000 0.628 714 A CB -0.415 18.615 19.000 0.051 0.000 0.814 714 A HN 0.317 nan 8.150 nan 0.000 0.444 715 L N -0.939 120.367 121.223 0.137 0.000 2.027 715 L HA -0.138 4.204 4.340 0.004 0.000 0.206 715 L C 3.093 180.067 176.870 0.173 0.000 1.074 715 L CA 1.010 55.947 54.840 0.162 0.000 0.745 715 L CB -0.684 41.536 42.059 0.267 0.000 0.898 715 L HN 0.405 nan 8.230 nan 0.000 0.433 716 A N 0.088 123.066 122.820 0.263 0.000 1.940 716 A HA -0.240 4.083 4.320 0.004 0.000 0.219 716 A C 2.162 179.821 177.584 0.126 0.000 1.176 716 A CA 1.787 53.996 52.037 0.286 0.000 0.631 716 A CB -0.470 18.831 19.000 0.502 0.000 0.814 716 A HN 0.466 nan 8.150 nan 0.000 0.446 717 E N -0.487 119.766 120.200 0.089 0.000 2.077 717 E HA -0.133 4.220 4.350 0.004 0.000 0.193 717 E C 1.983 178.556 176.600 -0.045 0.000 0.989 717 E CA 1.290 57.709 56.400 0.032 0.000 0.800 717 E CB -0.278 29.436 29.700 0.023 0.000 0.746 717 E HN 0.414 nan 8.360 nan 0.000 0.452 718 V N 0.377 120.215 119.914 -0.126 0.000 2.287 718 V HA -0.277 3.845 4.120 0.004 0.000 0.248 718 V C 1.772 177.655 176.094 -0.352 0.000 1.053 718 V CA 1.852 63.986 62.300 -0.277 0.000 1.027 718 V CB -0.568 30.989 31.823 -0.443 0.000 0.646 718 V HN 0.334 nan 8.190 nan 0.000 0.447 719 Y N 0.447 120.613 120.300 -0.224 0.000 2.516 719 Y HA 0.126 4.679 4.550 0.005 0.000 0.291 719 Y C 2.308 178.087 175.900 -0.202 0.000 1.131 719 Y CA 0.737 58.641 58.100 -0.327 0.000 1.281 719 Y CB -0.230 37.712 38.460 -0.862 0.000 1.013 719 Y HN 0.316 nan 8.280 nan 0.000 0.554 720 G N -1.037 107.775 108.800 0.020 0.000 3.189 720 G HA2 0.051 4.014 3.960 0.004 0.000 0.225 720 G HA3 0.051 4.014 3.960 0.004 0.000 0.225 720 G C 0.272 175.204 174.900 0.054 0.000 1.159 720 G CA -0.138 45.028 45.100 0.111 0.000 0.763 720 G HN 0.066 nan 8.290 nan 0.000 0.549 721 S N -0.308 115.401 115.700 0.015 0.000 2.617 721 S HA 0.482 4.954 4.470 0.004 0.000 0.269 721 S C 1.640 176.255 174.600 0.024 0.000 1.292 721 S CA 0.007 58.212 58.200 0.008 0.000 1.010 721 S CB 1.661 64.848 63.200 -0.021 0.000 0.944 721 S HN 0.320 nan 8.310 nan 0.000 0.536 722 A N 1.445 124.279 122.820 0.023 0.000 2.070 722 A HA -0.120 4.203 4.320 0.004 0.000 0.220 722 A C 1.476 179.081 177.584 0.036 0.000 1.159 722 A CA 1.628 53.683 52.037 0.031 0.000 0.656 722 A CB -0.496 18.519 19.000 0.024 0.000 0.800 722 A HN 0.849 nan 8.150 nan 0.000 0.453 723 D N -1.125 119.291 120.400 0.027 0.000 2.328 723 D HA 0.349 4.992 4.640 0.004 0.000 0.221 723 D C 0.865 177.190 176.300 0.043 0.000 1.072 723 D CA 0.736 54.754 54.000 0.030 0.000 0.850 723 D CB -0.034 40.774 40.800 0.013 0.000 0.922 723 D HN 0.281 nan 8.370 nan 0.000 0.516 724 A N -0.184 122.670 122.820 0.057 0.000 2.470 724 A HA 0.138 4.460 4.320 0.004 0.000 0.251 724 A C 1.861 179.549 177.584 0.174 0.000 1.245 724 A CA -0.067 52.020 52.037 0.083 0.000 0.932 724 A CB 0.087 19.108 19.000 0.035 0.000 1.037 724 A HN 0.096 nan 8.150 nan 0.000 0.522 725 Q N 0.687 120.583 119.800 0.160 0.000 2.020 725 Q HA -0.169 4.173 4.340 0.004 0.000 0.202 725 Q C 1.780 177.906 176.000 0.210 0.000 0.982 725 Q CA 2.149 58.077 55.803 0.207 0.000 0.838 725 Q CB -0.118 28.745 28.738 0.207 0.000 0.899 725 Q HN 0.555 nan 8.270 nan 0.000 0.423 726 E N 0.195 120.498 120.200 0.172 0.000 2.072 726 E HA -0.185 4.168 4.350 0.004 0.000 0.191 726 E C 1.827 178.483 176.600 0.093 0.000 0.985 726 E CA 1.074 57.541 56.400 0.112 0.000 0.801 726 E CB -0.172 29.606 29.700 0.131 0.000 0.750 726 E HN 0.404 nan 8.360 nan 0.000 0.452 727 K N 0.208 120.687 120.400 0.132 0.000 2.032 727 K HA -0.184 4.138 4.320 0.004 0.000 0.209 727 K C 2.183 178.920 176.600 0.228 0.000 1.048 727 K CA 1.280 57.657 56.287 0.148 0.000 0.927 727 K CB -0.358 32.217 32.500 0.125 0.000 0.712 727 K HN 0.034 nan 8.250 nan 0.000 0.441 728 F N 1.395 121.461 119.950 0.193 0.000 2.095 728 F HA -0.232 4.298 4.527 0.004 0.000 0.298 728 F C 1.778 177.624 175.800 0.076 0.000 1.104 728 F CA 1.560 59.668 58.000 0.181 0.000 1.232 728 F CB -0.547 38.548 39.000 0.158 0.000 0.987 728 F HN -0.171 nan 8.300 nan 0.000 0.475 729 V N 1.360 121.185 119.914 -0.149 0.000 2.295 729 V HA -0.292 3.831 4.120 0.004 0.000 0.246 729 V C 2.680 178.663 176.094 -0.186 0.000 1.049 729 V CA 2.163 64.290 62.300 -0.289 0.000 1.024 729 V CB -0.686 30.960 31.823 -0.295 0.000 0.648 729 V HN 0.285 nan 8.190 nan 0.000 0.447 730 R N 0.139 120.587 120.500 -0.087 0.000 2.075 730 R HA -0.113 4.230 4.340 0.004 0.000 0.232 730 R C 1.950 178.226 176.300 -0.040 0.000 1.126 730 R CA 1.484 57.562 56.100 -0.036 0.000 0.963 730 R CB -1.016 29.287 30.300 0.005 0.000 0.858 730 R HN 0.516 nan 8.270 nan 0.000 0.435 731 D N 0.175 120.551 120.400 -0.039 0.000 2.144 731 D HA -0.132 4.510 4.640 0.004 0.000 0.200 731 D C 1.638 177.856 176.300 -0.135 0.000 0.978 731 D CA 0.703 54.679 54.000 -0.039 0.000 0.833 731 D CB -0.334 40.504 40.800 0.063 0.000 0.961 731 D HN 0.104 nan 8.370 nan 0.000 0.470 732 F N 1.223 120.934 119.950 -0.399 0.000 2.102 732 F HA -0.202 4.327 4.527 0.003 0.000 0.298 732 F C 2.186 177.893 175.800 -0.155 0.000 1.105 732 F CA 1.022 58.787 58.000 -0.390 0.000 1.239 732 F CB -0.263 38.315 39.000 -0.704 0.000 0.991 732 F HN -0.216 nan 8.300 nan 0.000 0.474 733 V N 0.630 120.525 119.914 -0.031 0.000 2.392 733 V HA -0.344 3.779 4.120 0.004 0.000 0.249 733 V C 2.713 178.792 176.094 -0.025 0.000 1.059 733 V CA 1.801 64.102 62.300 0.002 0.000 1.051 733 V CB -1.596 30.246 31.823 0.032 0.000 0.658 733 V HN 0.509 nan 8.190 nan 0.000 0.455 734 A N -0.579 122.204 122.820 -0.061 0.000 1.877 734 A HA -0.181 4.141 4.320 0.004 0.000 0.216 734 A C 2.468 179.995 177.584 -0.096 0.000 1.186 734 A CA 2.130 54.133 52.037 -0.056 0.000 0.620 734 A CB -0.754 18.222 19.000 -0.040 0.000 0.822 734 A HN 0.357 nan 8.150 nan 0.000 0.443 735 V N -0.649 119.170 119.914 -0.159 0.000 2.453 735 V HA -0.170 3.953 4.120 0.004 0.000 0.247 735 V C 2.042 178.009 176.094 -0.210 0.000 1.048 735 V CA 1.856 64.046 62.300 -0.183 0.000 1.049 735 V CB -0.489 31.218 31.823 -0.194 0.000 0.672 735 V HN 0.788 nan 8.190 nan 0.000 0.457 736 W N 1.202 122.200 121.300 -0.503 0.000 2.317 736 W HA -0.325 4.337 4.660 0.003 0.000 0.318 736 W C 2.266 178.665 176.519 -0.200 0.000 1.227 736 W CA 2.427 59.530 57.345 -0.403 0.000 1.269 736 W CB -0.674 28.489 29.460 -0.495 0.000 1.155 736 W HN 0.504 nan 8.180 nan 0.000 0.484 737 N N 0.966 119.630 118.700 -0.060 0.000 2.166 737 N HA -0.256 4.487 4.740 0.004 0.000 0.186 737 N C 1.919 177.298 175.510 -0.217 0.000 1.019 737 N CA 2.462 55.444 53.050 -0.114 0.000 0.856 737 N CB -0.704 37.778 38.487 -0.008 0.000 0.993 737 N HN 0.196 nan 8.380 nan 0.000 0.426 738 K N -0.064 120.216 120.400 -0.200 0.000 2.009 738 K HA -0.119 4.204 4.320 0.004 0.000 0.210 738 K C 1.691 178.109 176.600 -0.304 0.000 1.049 738 K CA 1.616 57.770 56.287 -0.221 0.000 0.929 738 K CB -0.272 32.127 32.500 -0.168 0.000 0.714 738 K HN 0.052 nan 8.250 nan 0.000 0.440 739 V N 1.457 121.169 119.914 -0.336 0.000 2.343 739 V HA -0.262 3.860 4.120 0.004 0.000 0.247 739 V C 2.470 178.280 176.094 -0.473 0.000 1.051 739 V CA 1.534 63.595 62.300 -0.397 0.000 1.036 739 V CB -0.383 31.215 31.823 -0.376 0.000 0.654 739 V HN 0.429 nan 8.190 nan 0.000 0.451 740 M N 0.176 119.461 119.600 -0.524 0.000 2.279 740 M HA -0.082 4.401 4.480 0.004 0.000 0.264 740 M C 1.324 177.412 176.300 -0.354 0.000 1.062 740 M CA 1.385 56.417 55.300 -0.446 0.000 1.099 740 M CB -1.197 31.164 32.600 -0.398 0.000 1.394 740 M HN 0.382 nan 8.290 nan 0.000 0.426 741 N N -0.019 118.461 118.700 -0.367 0.000 2.214 741 N HA 0.205 4.948 4.740 0.004 0.000 0.214 741 N C 1.494 176.695 175.510 -0.515 0.000 1.132 741 N CA 0.068 52.891 53.050 -0.378 0.000 0.856 741 N CB 0.194 38.490 38.487 -0.317 0.000 1.020 741 N HN 0.329 nan 8.380 nan 0.000 0.509 742 L N 0.639 121.489 121.223 -0.621 0.000 2.131 742 L HA -0.171 4.171 4.340 0.004 0.000 0.210 742 L C 1.295 177.364 176.870 -1.335 0.000 1.092 742 L CA 1.310 55.560 54.840 -0.984 0.000 0.759 742 L CB -0.134 41.225 42.059 -1.166 0.000 0.903 742 L HN 0.134 nan 8.230 nan 0.000 0.435 743 D N -1.612 118.257 120.400 -0.885 0.000 2.342 743 D HA -0.065 4.577 4.640 0.004 0.000 0.221 743 D C 0.817 176.882 176.300 -0.391 0.000 1.101 743 D CA -0.060 53.665 54.000 -0.459 0.000 0.837 743 D CB -0.031 40.770 40.800 0.002 0.000 0.938 743 D HN 0.002 nan 8.370 nan 0.000 0.508 744 R N 0.864 121.020 120.500 -0.574 0.000 4.680 744 R HA 0.180 4.523 4.340 0.004 0.000 0.222 744 R C 0.078 176.155 176.300 -0.372 0.000 1.803 744 R CA -0.357 55.521 56.100 -0.369 0.000 1.560 744 R CB -1.292 28.811 30.300 -0.328 0.000 1.412 744 R HN 0.248 nan 8.270 nan 0.000 0.815 745 F N 0.758 120.659 119.950 -0.081 0.000 2.604 745 F HA -0.117 4.412 4.527 0.003 0.000 0.298 745 F C 2.030 177.801 175.800 -0.049 0.000 1.131 745 F CA 0.720 58.691 58.000 -0.047 0.000 1.457 745 F CB 0.067 39.064 39.000 -0.005 0.000 1.095 745 F HN 0.256 nan 8.300 nan 0.000 0.574 746 D N 0.771 121.212 120.400 0.070 0.000 2.309 746 D HA -0.172 4.471 4.640 0.004 0.000 0.212 746 D C 1.597 177.880 176.300 -0.029 0.000 0.968 746 D CA 1.163 55.168 54.000 0.008 0.000 0.882 746 D CB -0.464 40.321 40.800 -0.025 0.000 0.918 746 D HN 0.353 nan 8.370 nan 0.000 0.503 747 L N -0.165 121.020 121.223 -0.063 0.000 2.616 747 L HA 0.340 4.683 4.340 0.004 0.000 0.229 747 L C 1.545 178.379 176.870 -0.061 0.000 1.110 747 L CA -0.287 54.504 54.840 -0.081 0.000 0.884 747 L CB 0.037 42.018 42.059 -0.131 0.000 1.115 747 L HN -0.036 nan 8.230 nan 0.000 0.481 748 A N 0.000 122.802 122.820 -0.030 0.000 2.254 748 A HA 0.000 4.323 4.320 0.004 0.000 0.244 748 A CA 0.000 52.040 52.037 0.004 0.000 0.836 748 A CB 0.000 19.052 19.000 0.086 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486