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 2b2s_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 0.000 175.478 175.510 -0.053 0.000 1.280 35 N CA 0.000 53.023 53.050 -0.046 0.000 0.885 35 N CB 0.000 38.454 38.487 -0.055 0.000 1.341 36 G N 0.788 109.564 108.800 -0.040 0.000 2.340 36 G HA2 0.452 4.415 3.960 0.005 0.000 0.245 36 G HA3 0.452 4.415 3.960 0.005 0.000 0.245 36 G C 0.381 175.236 174.900 -0.075 0.000 1.294 36 G CA 0.713 45.792 45.100 -0.034 0.000 0.896 36 G HN 0.971 nan 8.290 nan 0.000 0.522 37 T N 1.596 116.094 114.554 -0.094 0.000 2.794 37 T HA 0.457 4.810 4.350 0.005 0.000 0.296 37 T C 0.845 175.451 174.700 -0.158 0.000 0.949 37 T CA -0.184 61.773 62.100 -0.237 0.000 1.101 37 T CB 1.046 69.696 68.868 -0.364 0.000 0.905 37 T HN 0.789 nan 8.240 nan 0.000 0.516 38 S N 2.685 118.247 115.700 -0.230 0.000 2.739 38 S HA 0.412 4.885 4.470 0.005 0.000 0.306 38 S C 1.052 175.642 174.600 -0.017 0.000 1.115 38 S CA -0.995 57.173 58.200 -0.054 0.000 0.985 38 S CB 1.050 64.233 63.200 -0.030 0.000 1.133 38 S HN 0.468 nan 8.310 nan 0.000 0.541 39 N N 0.701 119.517 118.700 0.194 0.000 2.166 39 N HA -0.074 4.669 4.740 0.005 0.000 0.186 39 N C 1.632 177.306 175.510 0.274 0.000 1.019 39 N CA 0.999 54.285 53.050 0.392 0.000 0.856 39 N CB -0.626 38.121 38.487 0.433 0.000 0.993 39 N HN 0.607 nan 8.380 nan 0.000 0.426 40 R N 1.130 121.706 120.500 0.128 0.000 2.096 40 R HA -0.060 4.283 4.340 0.005 0.000 0.235 40 R C 1.159 177.441 176.300 -0.030 0.000 1.127 40 R CA 1.270 57.415 56.100 0.075 0.000 0.968 40 R CB -0.080 30.243 30.300 0.039 0.000 0.861 40 R HN 0.216 nan 8.270 nan 0.000 0.440 41 D N -1.213 119.080 120.400 -0.177 0.000 2.097 41 D HA -0.175 4.468 4.640 0.005 0.000 0.197 41 D C 1.771 177.828 176.300 -0.405 0.000 0.984 41 D CA 1.232 55.024 54.000 -0.347 0.000 0.826 41 D CB -0.507 39.954 40.800 -0.565 0.000 0.973 41 D HN 0.323 nan 8.370 nan 0.000 0.460 42 W N -0.004 121.041 121.300 -0.425 0.000 2.358 42 W HA -0.089 4.574 4.660 0.005 0.000 0.303 42 W C 0.714 176.688 176.519 -0.909 0.000 1.208 42 W CA 0.222 57.017 57.345 -0.917 0.000 1.274 42 W CB 0.019 28.392 29.460 -1.812 0.000 1.138 42 W HN -0.027 nan 8.180 nan 0.000 0.515 43 W N 0.749 122.180 121.300 0.218 0.000 2.104 43 W HA 0.231 4.894 4.660 0.005 0.000 0.291 43 W C -1.984 174.579 176.519 0.074 0.000 0.936 43 W CA -1.765 55.654 57.345 0.125 0.000 1.856 43 W CB -0.325 29.197 29.460 0.103 0.000 2.036 43 W HN -0.164 nan 8.180 nan 0.000 0.393 44 P HA -0.121 nan 4.420 nan 0.000 0.223 44 P C 0.849 178.211 177.300 0.104 0.000 1.151 44 P CA 1.269 64.430 63.100 0.101 0.000 0.787 44 P CB 0.453 32.177 31.700 0.040 0.000 0.788 45 N N -0.568 118.207 118.700 0.125 0.000 2.398 45 N HA 0.001 4.744 4.740 0.005 0.000 0.188 45 N C 0.940 176.509 175.510 0.098 0.000 1.122 45 N CA 0.277 53.383 53.050 0.093 0.000 0.866 45 N CB -0.358 38.179 38.487 0.083 0.000 0.970 45 N HN 0.247 nan 8.380 nan 0.000 0.462 46 Q N 0.788 120.674 119.800 0.143 0.000 2.454 46 Q HA 0.143 4.486 4.340 0.005 0.000 0.247 46 Q C -0.490 175.582 176.000 0.120 0.000 1.028 46 Q CA -0.338 55.546 55.803 0.134 0.000 0.910 46 Q CB 0.476 29.310 28.738 0.160 0.000 1.276 46 Q HN 0.094 nan 8.270 nan 0.000 0.489 47 L N 2.713 124.021 121.223 0.141 0.000 2.455 47 L HA 0.152 4.495 4.340 0.005 0.000 0.272 47 L C -0.777 176.144 176.870 0.084 0.000 1.174 47 L CA 0.680 55.547 54.840 0.046 0.000 0.869 47 L CB 0.649 42.648 42.059 -0.100 0.000 1.130 47 L HN 0.656 nan 8.230 nan 0.000 0.474 48 D N 4.046 124.458 120.400 0.020 0.000 2.443 48 D HA 0.194 4.837 4.640 0.005 0.000 0.221 48 D C 0.733 177.025 176.300 -0.013 0.000 1.097 48 D CA -0.084 53.940 54.000 0.040 0.000 0.865 48 D CB 0.494 41.317 40.800 0.038 0.000 1.034 48 D HN 0.565 nan 8.370 nan 0.000 0.511 49 L N 2.191 123.416 121.223 0.003 0.000 2.554 49 L HA 0.018 4.361 4.340 0.005 0.000 0.226 49 L C 1.910 178.786 176.870 0.010 0.000 1.137 49 L CA 0.066 54.891 54.840 -0.026 0.000 0.863 49 L CB -0.083 41.995 42.059 0.031 0.000 0.985 49 L HN 0.310 nan 8.230 nan 0.000 0.451 50 S N 0.994 116.734 115.700 0.067 0.000 2.419 50 S HA -0.137 4.336 4.470 0.005 0.000 0.233 50 S C 1.949 176.560 174.600 0.019 0.000 1.016 50 S CA 1.249 59.508 58.200 0.098 0.000 0.974 50 S CB -0.219 63.037 63.200 0.093 0.000 0.786 50 S HN 0.587 nan 8.310 nan 0.000 0.492 51 I N -0.976 119.573 120.570 -0.035 0.000 2.756 51 I HA -0.050 4.123 4.170 0.005 0.000 0.262 51 I C 1.472 177.512 176.117 -0.128 0.000 1.225 51 I CA 1.337 62.600 61.300 -0.061 0.000 1.472 51 I CB -0.367 37.596 38.000 -0.062 0.000 1.094 51 I HN 0.166 nan 8.210 nan 0.000 0.454 52 L N 0.176 121.246 121.223 -0.255 0.000 2.492 52 L HA 0.044 4.387 4.340 0.005 0.000 0.223 52 L C 1.108 177.717 176.870 -0.435 0.000 1.132 52 L CA 0.708 55.312 54.840 -0.394 0.000 0.850 52 L CB -0.552 41.181 42.059 -0.544 0.000 0.966 52 L HN 0.379 nan 8.230 nan 0.000 0.454 53 H N -1.651 117.440 119.070 0.036 0.000 2.567 53 H HA 0.255 4.814 4.556 0.005 0.000 0.267 53 H C 0.410 175.779 175.328 0.068 0.000 1.148 53 H CA -0.618 55.462 56.048 0.052 0.000 1.031 53 H CB 0.439 30.233 29.762 0.053 0.000 1.691 53 H HN 0.013 nan 8.280 nan 0.000 0.588 54 R N 0.079 120.653 120.500 0.123 0.000 2.747 54 R HA 0.101 4.444 4.340 0.005 0.000 0.278 54 R C 0.312 176.775 176.300 0.271 0.000 1.153 54 R CA -0.118 56.084 56.100 0.170 0.000 1.206 54 R CB 0.068 30.466 30.300 0.163 0.000 1.161 54 R HN 0.640 nan 8.270 nan 0.000 0.589 55 H N -1.775 117.336 119.070 0.069 0.000 3.179 55 H HA -0.166 4.393 4.556 0.005 0.000 0.250 55 H C 0.246 175.640 175.328 0.111 0.000 1.142 55 H CA 0.567 56.673 56.048 0.098 0.000 1.165 55 H CB -1.137 28.680 29.762 0.092 0.000 1.253 55 H HN 0.682 nan 8.280 nan 0.000 0.325 56 S N 0.495 116.314 115.700 0.198 0.000 2.580 56 S HA 0.132 4.605 4.470 0.005 0.000 0.266 56 S C 1.731 176.397 174.600 0.110 0.000 1.354 56 S CA 0.051 58.338 58.200 0.144 0.000 1.008 56 S CB 1.634 64.902 63.200 0.113 0.000 0.898 56 S HN 0.409 nan 8.310 nan 0.000 0.555 57 S N 1.818 117.570 115.700 0.087 0.000 2.419 57 S HA -0.118 4.355 4.470 0.005 0.000 0.235 57 S C 1.804 176.417 174.600 0.021 0.000 1.019 57 S CA 1.135 59.369 58.200 0.058 0.000 0.982 57 S CB -1.055 62.175 63.200 0.051 0.000 0.789 57 S HN 0.682 nan 8.310 nan 0.000 0.490 58 L N 2.125 123.364 121.223 0.025 0.000 2.012 58 L HA -0.112 4.231 4.340 0.005 0.000 0.210 58 L C 3.038 179.898 176.870 -0.017 0.000 1.073 58 L CA 1.694 56.536 54.840 0.004 0.000 0.748 58 L CB -0.981 41.088 42.059 0.016 0.000 0.891 58 L HN 0.601 nan 8.230 nan 0.000 0.431 59 S N -2.403 113.297 115.700 -0.000 0.000 2.527 59 S HA -0.041 4.432 4.470 0.005 0.000 0.222 59 S C 0.721 175.269 174.600 -0.088 0.000 0.985 59 S CA -0.207 57.985 58.200 -0.013 0.000 0.921 59 S CB -0.263 62.958 63.200 0.035 0.000 0.772 59 S HN 0.283 nan 8.310 nan 0.000 0.529 60 D N 3.131 123.452 120.400 -0.132 0.000 2.277 60 D HA 0.261 4.904 4.640 0.005 0.000 0.249 60 D C -1.478 174.548 176.300 -0.458 0.000 1.134 60 D CA -2.015 51.756 54.000 -0.383 0.000 0.863 60 D CB 1.807 42.538 40.800 -0.114 0.000 1.143 60 D HN 0.087 nan 8.370 nan 0.000 0.458 61 P HA 0.018 nan 4.420 nan 0.000 0.236 61 P C 0.425 177.479 177.300 -0.410 0.000 1.177 61 P CA 0.193 62.975 63.100 -0.529 0.000 0.773 61 P CB 0.291 31.604 31.700 -0.645 0.000 0.878 62 M N 0.200 119.540 119.600 -0.433 0.000 2.247 62 M HA 0.360 4.843 4.480 0.005 0.000 0.326 62 M C 1.250 177.496 176.300 -0.090 0.000 1.134 62 M CA -0.881 54.243 55.300 -0.294 0.000 1.136 62 M CB -0.274 32.085 32.600 -0.402 0.000 1.454 62 M HN -0.192 nan 8.290 nan 0.000 0.467 63 G N 1.156 109.953 108.800 -0.006 0.000 2.699 63 G HA2 0.104 4.067 3.960 0.005 0.000 0.246 63 G HA3 0.104 4.067 3.960 0.005 0.000 0.246 63 G C 0.699 175.669 174.900 0.117 0.000 1.219 63 G CA -0.361 44.772 45.100 0.055 0.000 0.866 63 G HN 0.746 nan 8.290 nan 0.000 0.572 64 K N -0.265 120.187 120.400 0.087 0.000 2.103 64 K HA -0.063 4.260 4.320 0.005 0.000 0.207 64 K C 1.851 178.523 176.600 0.119 0.000 1.048 64 K CA 1.582 57.926 56.287 0.095 0.000 0.930 64 K CB 0.067 32.605 32.500 0.064 0.000 0.716 64 K HN 0.428 nan 8.250 nan 0.000 0.444 65 D N -0.731 119.743 120.400 0.122 0.000 2.347 65 D HA -0.067 4.576 4.640 0.005 0.000 0.213 65 D C -0.085 176.312 176.300 0.162 0.000 0.985 65 D CA 0.082 54.152 54.000 0.116 0.000 0.879 65 D CB -0.181 40.675 40.800 0.093 0.000 0.919 65 D HN 0.049 nan 8.370 nan 0.000 0.526 66 F N 2.320 122.315 119.950 0.075 0.000 2.602 66 F HA 0.041 4.571 4.527 0.005 0.000 0.385 66 F C 0.503 176.383 175.800 0.133 0.000 1.063 66 F CA -0.181 57.883 58.000 0.106 0.000 1.233 66 F CB 0.198 39.270 39.000 0.121 0.000 1.067 66 F HN -0.266 nan 8.300 nan 0.000 0.564 67 N N 6.311 124.645 118.700 -0.610 0.000 2.569 67 N HA 0.005 4.748 4.740 0.005 0.000 0.254 67 N C 0.373 175.419 175.510 -0.773 0.000 1.004 67 N CA -0.400 52.346 53.050 -0.507 0.000 0.904 67 N CB 0.300 38.665 38.487 -0.202 0.000 1.165 67 N HN 0.769 nan 8.380 nan 0.000 0.513 68 Y N 4.481 124.282 120.300 -0.832 0.000 2.181 68 Y HA -0.126 4.427 4.550 0.005 0.000 0.288 68 Y C 1.983 177.819 175.900 -0.108 0.000 1.146 68 Y CA 2.313 60.143 58.100 -0.450 0.000 1.164 68 Y CB -0.270 38.164 38.460 -0.044 0.000 0.982 68 Y HN 0.618 nan 8.280 nan 0.000 0.515 69 A N 0.284 122.947 122.820 -0.262 0.000 1.892 69 A HA -0.302 4.021 4.320 0.005 0.000 0.218 69 A C 2.153 179.641 177.584 -0.159 0.000 1.188 69 A CA 2.167 54.070 52.037 -0.224 0.000 0.631 69 A CB -0.869 18.085 19.000 -0.077 0.000 0.822 69 A HN 0.684 nan 8.150 nan 0.000 0.447 70 Q N -0.929 118.785 119.800 -0.144 0.000 2.124 70 Q HA -0.100 4.243 4.340 0.005 0.000 0.202 70 Q C 2.409 178.363 176.000 -0.076 0.000 0.977 70 Q CA 1.344 57.094 55.803 -0.089 0.000 0.850 70 Q CB -0.356 28.338 28.738 -0.074 0.000 0.901 70 Q HN 0.716 nan 8.270 nan 0.000 0.429 71 A N 0.261 123.020 122.820 -0.102 0.000 1.897 71 A HA -0.161 4.162 4.320 0.005 0.000 0.215 71 A C 1.819 179.383 177.584 -0.033 0.000 1.181 71 A CA 0.876 52.922 52.037 0.016 0.000 0.620 71 A CB -0.692 18.442 19.000 0.224 0.000 0.821 71 A HN 0.442 nan 8.150 nan 0.000 0.443 72 F N 0.935 120.670 119.950 -0.358 0.000 2.171 72 F HA -0.118 4.412 4.527 0.005 0.000 0.300 72 F C 2.114 177.822 175.800 -0.154 0.000 1.090 72 F CA 1.860 59.668 58.000 -0.321 0.000 1.293 72 F CB 0.044 38.690 39.000 -0.590 0.000 1.013 72 F HN 0.193 nan 8.300 nan 0.000 0.486 73 E N 0.383 120.541 120.200 -0.070 0.000 2.338 73 E HA -0.166 4.187 4.350 0.005 0.000 0.197 73 E C 1.738 178.250 176.600 -0.146 0.000 1.007 73 E CA 0.871 57.217 56.400 -0.089 0.000 0.849 73 E CB -0.185 29.512 29.700 -0.005 0.000 0.774 73 E HN 0.478 nan 8.360 nan 0.000 0.506 74 K N 0.107 120.425 120.400 -0.137 0.000 2.393 74 K HA 0.070 4.393 4.320 0.005 0.000 0.193 74 K C 0.549 177.070 176.600 -0.132 0.000 1.026 74 K CA -0.308 55.918 56.287 -0.101 0.000 1.064 74 K CB 0.301 32.778 32.500 -0.039 0.000 0.833 74 K HN -0.059 nan 8.250 nan 0.000 0.521 75 L N 2.026 123.099 121.223 -0.250 0.000 2.453 75 L HA 0.020 4.363 4.340 0.005 0.000 0.272 75 L C -0.153 176.569 176.870 -0.247 0.000 1.182 75 L CA 0.292 54.975 54.840 -0.263 0.000 0.858 75 L CB 0.520 42.290 42.059 -0.482 0.000 1.120 75 L HN -0.007 nan 8.230 nan 0.000 0.474 76 D N 4.125 124.439 120.400 -0.144 0.000 2.455 76 D HA -0.012 4.631 4.640 0.005 0.000 0.234 76 D C 0.947 177.127 176.300 -0.201 0.000 1.224 76 D CA -0.059 53.869 54.000 -0.120 0.000 0.999 76 D CB 0.434 41.223 40.800 -0.018 0.000 1.072 76 D HN 0.618 nan 8.370 nan 0.000 0.514 77 L N 4.637 125.730 121.223 -0.218 0.000 2.046 77 L HA -0.069 4.274 4.340 0.005 0.000 0.208 77 L C 2.145 178.925 176.870 -0.150 0.000 1.077 77 L CA 2.052 56.767 54.840 -0.209 0.000 0.747 77 L CB -0.716 41.263 42.059 -0.134 0.000 0.896 77 L HN 0.393 nan 8.230 nan 0.000 0.432 78 A N -0.305 122.458 122.820 -0.094 0.000 1.892 78 A HA -0.255 4.068 4.320 0.005 0.000 0.218 78 A C 2.474 180.027 177.584 -0.052 0.000 1.188 78 A CA 2.398 54.401 52.037 -0.056 0.000 0.631 78 A CB -1.341 17.637 19.000 -0.038 0.000 0.822 78 A HN 0.594 nan 8.150 nan 0.000 0.447 79 A N -0.771 122.017 122.820 -0.053 0.000 1.902 79 A HA -0.000 4.323 4.320 0.005 0.000 0.217 79 A C 2.244 179.811 177.584 -0.029 0.000 1.181 79 A CA 1.867 53.908 52.037 0.007 0.000 0.623 79 A CB -0.979 18.076 19.000 0.092 0.000 0.818 79 A HN 0.467 nan 8.150 nan 0.000 0.443 80 V N 0.240 119.990 119.914 -0.273 0.000 2.295 80 V HA -0.294 3.829 4.120 0.005 0.000 0.246 80 V C 2.418 178.408 176.094 -0.173 0.000 1.049 80 V CA 2.405 64.446 62.300 -0.431 0.000 1.024 80 V CB -0.733 30.709 31.823 -0.636 0.000 0.648 80 V HN 0.556 nan 8.190 nan 0.000 0.447 81 K N -0.245 120.080 120.400 -0.125 0.000 2.097 81 K HA -0.113 4.210 4.320 0.005 0.000 0.205 81 K C 2.387 179.045 176.600 0.097 0.000 1.050 81 K CA 1.130 57.393 56.287 -0.040 0.000 0.938 81 K CB -0.235 32.260 32.500 -0.007 0.000 0.718 81 K HN 0.399 nan 8.250 nan 0.000 0.442 82 R N 0.958 121.503 120.500 0.075 0.000 2.081 82 R HA -0.126 4.217 4.340 0.005 0.000 0.235 82 R C 1.730 178.089 176.300 0.097 0.000 1.131 82 R CA 1.490 57.646 56.100 0.094 0.000 0.960 82 R CB -0.222 30.103 30.300 0.042 0.000 0.856 82 R HN 0.211 nan 8.270 nan 0.000 0.436 83 D N 0.701 121.144 120.400 0.072 0.000 2.144 83 D HA -0.116 4.527 4.640 0.005 0.000 0.199 83 D C 1.976 178.299 176.300 0.038 0.000 0.984 83 D CA 0.994 55.037 54.000 0.071 0.000 0.834 83 D CB -0.056 40.817 40.800 0.121 0.000 0.955 83 D HN 0.186 nan 8.370 nan 0.000 0.465 84 L N 0.145 121.360 121.223 -0.014 0.000 2.072 84 L HA -0.136 4.207 4.340 0.005 0.000 0.205 84 L C 2.511 179.340 176.870 -0.068 0.000 1.079 84 L CA 0.873 55.656 54.840 -0.095 0.000 0.752 84 L CB -0.409 41.531 42.059 -0.200 0.000 0.906 84 L HN 0.160 nan 8.230 nan 0.000 0.436 85 H N -0.090 118.969 119.070 -0.018 0.000 2.319 85 H HA -0.163 4.396 4.556 0.005 0.000 0.299 85 H C 2.267 177.601 175.328 0.011 0.000 1.092 85 H CA 1.698 57.750 56.048 0.006 0.000 1.302 85 H CB 0.017 29.783 29.762 0.007 0.000 1.373 85 H HN 0.372 nan 8.280 nan 0.000 0.497 86 A N 1.090 123.991 122.820 0.135 0.000 1.908 86 A HA -0.151 4.172 4.320 0.005 0.000 0.218 86 A C 2.500 180.131 177.584 0.079 0.000 1.181 86 A CA 1.373 53.461 52.037 0.085 0.000 0.627 86 A CB -0.765 18.276 19.000 0.070 0.000 0.818 86 A HN 0.310 nan 8.150 nan 0.000 0.445 87 L N -0.770 120.507 121.223 0.090 0.000 2.131 87 L HA -0.142 4.201 4.340 0.005 0.000 0.210 87 L C 2.238 179.248 176.870 0.233 0.000 1.092 87 L CA 1.782 56.712 54.840 0.151 0.000 0.759 87 L CB -0.516 41.618 42.059 0.125 0.000 0.903 87 L HN 0.313 nan 8.230 nan 0.000 0.435 88 M N -0.607 119.072 119.600 0.131 0.000 2.195 88 M HA -0.132 4.351 4.480 0.005 0.000 0.260 88 M C 1.677 177.877 176.300 -0.168 0.000 1.066 88 M CA 2.011 57.328 55.300 0.029 0.000 1.089 88 M CB -1.675 30.775 32.600 -0.249 0.000 1.377 88 M HN 0.611 nan 8.290 nan 0.000 0.411 89 T N -4.241 110.236 114.554 -0.127 0.000 3.182 89 T HA 0.167 4.520 4.350 0.005 0.000 0.277 89 T C 0.287 174.957 174.700 -0.050 0.000 1.013 89 T CA -0.306 61.707 62.100 -0.145 0.000 0.900 89 T CB -0.349 68.451 68.868 -0.114 0.000 1.098 89 T HN 0.073 nan 8.240 nan 0.000 0.543 90 T N 2.679 117.261 114.554 0.047 0.000 3.162 90 T HA 0.405 4.758 4.350 0.005 0.000 0.316 90 T C 0.147 174.928 174.700 0.135 0.000 1.182 90 T CA -0.244 61.905 62.100 0.082 0.000 1.015 90 T CB 0.505 69.440 68.868 0.113 0.000 1.089 90 T HN 0.356 nan 8.240 nan 0.000 0.646 91 S N 3.587 119.287 115.700 -0.000 0.000 2.531 91 S HA 0.160 4.633 4.470 0.005 0.000 0.279 91 S C 0.058 174.670 174.600 0.019 0.000 1.305 91 S CA -0.651 57.524 58.200 -0.042 0.000 1.058 91 S CB 0.302 63.403 63.200 -0.166 0.000 0.899 91 S HN 0.440 nan 8.310 nan 0.000 0.493 92 Q N 3.212 123.010 119.800 -0.004 0.000 2.241 92 Q HA 0.242 4.585 4.340 0.005 0.000 0.254 92 Q C 0.237 176.065 176.000 -0.287 0.000 0.917 92 Q CA -0.586 55.070 55.803 -0.244 0.000 0.919 92 Q CB 1.460 29.765 28.738 -0.721 0.000 1.237 92 Q HN 0.677 nan 8.270 nan 0.000 0.434 93 D N 1.648 121.965 120.400 -0.139 0.000 2.219 93 D HA -0.134 4.509 4.640 0.005 0.000 0.205 93 D C 1.608 177.935 176.300 0.044 0.000 0.970 93 D CA 0.859 54.842 54.000 -0.029 0.000 0.851 93 D CB 0.099 40.933 40.800 0.056 0.000 0.943 93 D HN 0.699 nan 8.370 nan 0.000 0.488 94 W N -1.411 119.986 121.300 0.162 0.000 2.699 94 W HA 0.016 4.679 4.660 0.005 0.000 0.249 94 W C 0.332 177.070 176.519 0.365 0.000 1.280 94 W CA -0.147 57.319 57.345 0.202 0.000 1.345 94 W CB -0.516 29.048 29.460 0.173 0.000 1.128 94 W HN -0.028 nan 8.180 nan 0.000 0.642 95 W N 3.228 124.375 121.300 -0.254 0.000 1.982 95 W HA 0.245 4.908 4.660 0.005 0.000 0.299 95 W C -2.868 173.611 176.519 -0.067 0.000 1.011 95 W CA -1.932 55.339 57.345 -0.123 0.000 1.324 95 W CB 0.682 30.070 29.460 -0.120 0.000 1.372 95 W HN -0.369 nan 8.180 nan 0.000 0.323 96 P HA 0.027 nan 4.420 nan 0.000 0.266 96 P C -0.049 177.195 177.300 -0.093 0.000 1.195 96 P CA 0.621 63.653 63.100 -0.114 0.000 0.768 96 P CB 0.793 32.455 31.700 -0.064 0.000 0.838 97 A N 3.211 125.850 122.820 -0.301 0.000 2.454 97 A HA 0.135 4.458 4.320 0.005 0.000 0.260 97 A C 0.093 177.464 177.584 -0.355 0.000 1.106 97 A CA -0.285 51.400 52.037 -0.587 0.000 0.780 97 A CB -0.417 17.838 19.000 -1.242 0.000 1.044 97 A HN 0.440 nan 8.150 nan 0.000 0.498 98 D N 1.897 122.160 120.400 -0.227 0.000 2.493 98 D HA 0.175 4.818 4.640 0.005 0.000 0.240 98 D C 0.432 176.511 176.300 -0.369 0.000 1.142 98 D CA 0.717 54.409 54.000 -0.513 0.000 0.872 98 D CB -0.210 40.534 40.800 -0.094 0.000 1.173 98 D HN 0.500 nan 8.370 nan 0.000 0.467 99 F N 0.444 120.072 119.950 -0.536 0.000 3.048 99 F HA -0.261 4.269 4.527 0.005 0.000 0.287 99 F C 1.605 177.280 175.800 -0.208 0.000 0.796 99 F CA 0.588 58.407 58.000 -0.301 0.000 1.111 99 F CB -2.028 36.888 39.000 -0.140 0.000 1.320 99 F HN 0.639 nan 8.300 nan 0.000 0.430 100 G N -0.844 107.841 108.800 -0.192 0.000 2.155 100 G HA2 -0.332 3.631 3.960 0.005 0.000 0.257 100 G HA3 -0.332 3.631 3.960 0.005 0.000 0.257 100 G C -0.104 174.733 174.900 -0.105 0.000 0.983 100 G CA 0.469 45.478 45.100 -0.151 0.000 0.676 100 G HN 0.934 nan 8.290 nan 0.000 0.528 101 H N -1.545 117.435 119.070 -0.150 0.000 2.934 101 H HA 0.417 4.976 4.556 0.005 0.000 0.340 101 H C -0.089 175.210 175.328 -0.048 0.000 1.008 101 H CA -0.836 55.175 56.048 -0.062 0.000 1.317 101 H CB 0.891 30.684 29.762 0.053 0.000 1.670 101 H HN 0.040 nan 8.280 nan 0.000 0.516 102 Y N 2.829 123.221 120.300 0.153 0.000 2.502 102 Y HA 0.064 4.617 4.550 0.005 0.000 0.295 102 Y C 2.166 178.154 175.900 0.146 0.000 1.193 102 Y CA 0.728 58.846 58.100 0.030 0.000 1.295 102 Y CB 0.049 38.371 38.460 -0.229 0.000 1.059 102 Y HN 0.806 nan 8.280 nan 0.000 0.514 103 G N 0.230 109.408 108.800 0.629 0.000 2.480 103 G HA2 -0.284 3.679 3.960 0.005 0.000 0.216 103 G HA3 -0.284 3.679 3.960 0.005 0.000 0.216 103 G C 2.089 177.115 174.900 0.209 0.000 1.200 103 G CA 0.990 46.336 45.100 0.410 0.000 0.782 103 G HN 0.496 nan 8.290 nan 0.000 0.554 104 G N 0.791 109.708 108.800 0.195 0.000 2.476 104 G HA2 -0.208 3.755 3.960 0.005 0.000 0.218 104 G HA3 -0.208 3.755 3.960 0.005 0.000 0.218 104 G C 1.792 176.830 174.900 0.229 0.000 1.164 104 G CA 1.175 46.409 45.100 0.224 0.000 0.768 104 G HN 0.442 nan 8.290 nan 0.000 0.560 105 L N -0.503 120.840 121.223 0.199 0.000 2.042 105 L HA 0.048 4.391 4.340 0.005 0.000 0.210 105 L C 2.472 179.393 176.870 0.084 0.000 1.076 105 L CA 1.670 56.574 54.840 0.105 0.000 0.749 105 L CB -0.527 41.538 42.059 0.009 0.000 0.893 105 L HN 0.171 nan 8.230 nan 0.000 0.432 106 F N -0.659 119.399 119.950 0.180 0.000 2.259 106 F HA -0.048 4.482 4.527 0.005 0.000 0.298 106 F C 2.298 178.190 175.800 0.153 0.000 1.088 106 F CA 0.895 58.977 58.000 0.135 0.000 1.358 106 F CB -0.656 38.411 39.000 0.113 0.000 1.040 106 F HN 0.042 nan 8.300 nan 0.000 0.505 107 I N -0.358 120.393 120.570 0.301 0.000 2.252 107 I HA -0.283 3.890 4.170 0.005 0.000 0.245 107 I C 2.703 179.062 176.117 0.402 0.000 1.102 107 I CA 1.205 62.656 61.300 0.252 0.000 1.385 107 I CB -0.403 37.603 38.000 0.011 0.000 1.064 107 I HN 0.013 nan 8.210 nan 0.000 0.414 108 R N 1.050 121.740 120.500 0.318 0.000 2.081 108 R HA -0.221 4.122 4.340 0.005 0.000 0.235 108 R C 2.410 178.785 176.300 0.125 0.000 1.131 108 R CA 1.632 57.896 56.100 0.274 0.000 0.960 108 R CB -0.247 30.136 30.300 0.137 0.000 0.856 108 R HN 0.303 nan 8.270 nan 0.000 0.436 109 M N 0.135 119.828 119.600 0.155 0.000 2.065 109 M HA -0.178 4.305 4.480 0.005 0.000 0.259 109 M C 2.168 178.573 176.300 0.175 0.000 1.069 109 M CA 2.254 57.634 55.300 0.133 0.000 1.110 109 M CB -0.227 32.508 32.600 0.225 0.000 1.328 109 M HN 0.324 nan 8.290 nan 0.000 0.405 110 A N 0.549 123.544 122.820 0.292 0.000 1.902 110 A HA -0.247 4.076 4.320 0.005 0.000 0.217 110 A C 2.075 179.825 177.584 0.277 0.000 1.181 110 A CA 1.596 53.804 52.037 0.284 0.000 0.623 110 A CB -1.677 17.588 19.000 0.442 0.000 0.818 110 A HN 0.934 nan 8.150 nan 0.000 0.443 111 W N 0.230 121.720 121.300 0.317 0.000 2.338 111 W HA -0.232 4.431 4.660 0.004 0.000 0.304 111 W C 1.816 178.483 176.519 0.246 0.000 1.212 111 W CA 1.819 59.339 57.345 0.290 0.000 1.264 111 W CB -0.639 29.111 29.460 0.483 0.000 1.142 111 W HN 0.601 nan 8.180 nan 0.000 0.512 112 H N -0.325 118.488 119.070 -0.429 0.000 2.428 112 H HA -0.144 4.415 4.556 0.005 0.000 0.296 112 H C 2.690 177.760 175.328 -0.431 0.000 1.062 112 H CA 1.205 56.868 56.048 -0.641 0.000 1.350 112 H CB -0.046 29.483 29.762 -0.390 0.000 1.403 112 H HN 0.115 nan 8.280 nan 0.000 0.533 113 S N 0.440 116.063 115.700 -0.128 0.000 2.359 113 S HA -0.189 4.284 4.470 0.005 0.000 0.224 113 S C 2.351 176.838 174.600 -0.188 0.000 1.035 113 S CA 1.135 59.243 58.200 -0.154 0.000 1.018 113 S CB -0.189 62.959 63.200 -0.087 0.000 0.876 113 S HN 0.503 nan 8.310 nan 0.000 0.448 114 A N 0.191 122.905 122.820 -0.176 0.000 2.016 114 A HA 0.287 4.610 4.320 0.005 0.000 0.217 114 A C 2.118 179.609 177.584 -0.155 0.000 1.162 114 A CA 1.253 53.191 52.037 -0.166 0.000 0.662 114 A CB -1.050 17.851 19.000 -0.165 0.000 0.812 114 A HN 0.607 nan 8.150 nan 0.000 0.450 115 G N -0.414 108.150 108.800 -0.393 0.000 2.848 115 G HA2 0.073 4.036 3.960 0.005 0.000 0.208 115 G HA3 0.073 4.036 3.960 0.005 0.000 0.208 115 G C 1.244 175.786 174.900 -0.597 0.000 1.152 115 G CA 1.307 46.008 45.100 -0.664 0.000 0.789 115 G HN 0.608 nan 8.290 nan 0.000 0.531 116 T N -3.028 111.343 114.554 -0.306 0.000 3.100 116 T HA 0.091 4.444 4.350 0.005 0.000 0.253 116 T C 0.879 175.664 174.700 0.141 0.000 1.118 116 T CA -0.518 61.525 62.100 -0.094 0.000 1.058 116 T CB -0.242 68.558 68.868 -0.113 0.000 0.953 116 T HN 0.152 nan 8.240 nan 0.000 0.515 117 Y N 3.359 123.651 120.300 -0.013 0.000 2.610 117 Y HA 0.371 4.923 4.550 0.004 0.000 0.332 117 Y C 0.060 176.000 175.900 0.067 0.000 1.201 117 Y CA -0.869 57.245 58.100 0.024 0.000 1.465 117 Y CB 0.312 38.766 38.460 -0.011 0.000 1.283 117 Y HN 0.063 nan 8.280 nan 0.000 0.563 118 R N 2.736 122.872 120.500 -0.606 0.000 2.480 118 R HA 0.244 4.587 4.340 0.005 0.000 0.306 118 R C 1.077 176.879 176.300 -0.830 0.000 0.958 118 R CA -0.004 55.791 56.100 -0.509 0.000 0.861 118 R CB 1.261 31.417 30.300 -0.239 0.000 1.171 118 R HN 0.767 nan 8.270 nan 0.000 0.445 119 T N -1.000 113.229 114.554 -0.542 0.000 2.915 119 T HA -0.127 4.226 4.350 0.005 0.000 0.269 119 T C 1.848 176.428 174.700 -0.200 0.000 1.071 119 T CA 1.010 62.916 62.100 -0.324 0.000 1.132 119 T CB -0.076 68.751 68.868 -0.069 0.000 0.878 119 T HN 0.521 nan 8.240 nan 0.000 0.479 120 A N 3.088 125.800 122.820 -0.180 0.000 1.883 120 A HA -0.138 4.185 4.320 0.005 0.000 0.217 120 A C 2.071 179.568 177.584 -0.144 0.000 1.186 120 A CA 1.989 53.946 52.037 -0.133 0.000 0.624 120 A CB -0.616 18.315 19.000 -0.115 0.000 0.822 120 A HN 0.773 nan 8.150 nan 0.000 0.444 121 D N -4.165 116.130 120.400 -0.173 0.000 2.500 121 D HA 0.312 4.955 4.640 0.005 0.000 0.217 121 D C 1.083 177.290 176.300 -0.154 0.000 1.159 121 D CA 0.879 54.786 54.000 -0.154 0.000 0.828 121 D CB -0.534 40.175 40.800 -0.151 0.000 1.039 121 D HN 0.907 nan 8.370 nan 0.000 0.512 122 G N 0.826 109.499 108.800 -0.212 0.000 2.168 122 G HA2 -0.353 3.610 3.960 0.005 0.000 0.263 122 G HA3 -0.353 3.610 3.960 0.005 0.000 0.263 122 G C 0.345 175.208 174.900 -0.061 0.000 0.977 122 G CA 0.191 45.216 45.100 -0.125 0.000 0.659 122 G HN 0.435 nan 8.290 nan 0.000 0.533 123 R N 0.147 120.555 120.500 -0.152 0.000 2.637 123 R HA 0.531 4.874 4.340 0.005 0.000 0.269 123 R C 1.204 177.487 176.300 -0.030 0.000 1.089 123 R CA 0.516 56.553 56.100 -0.104 0.000 1.177 123 R CB 0.431 30.610 30.300 -0.202 0.000 1.091 123 R HN 1.414 nan 8.270 nan 0.000 0.540 124 G N -0.408 108.426 108.800 0.058 0.000 2.750 124 G HA2 0.130 4.093 3.960 0.005 0.000 0.228 124 G HA3 0.130 4.093 3.960 0.005 0.000 0.228 124 G C 0.073 175.089 174.900 0.192 0.000 1.367 124 G CA -0.360 44.861 45.100 0.201 0.000 0.871 124 G HN 1.160 nan 8.290 nan 0.000 0.560 125 G N -2.855 106.026 108.800 0.136 0.000 2.655 125 G HA2 0.455 4.418 3.960 0.005 0.000 0.680 125 G HA3 0.455 4.418 3.960 0.005 0.000 0.680 125 G C 0.886 175.747 174.900 -0.066 0.000 1.302 125 G CA 1.017 46.137 45.100 0.034 0.000 0.872 125 G HN 2.474 nan 8.290 nan 0.000 0.540 126 A N -0.428 122.309 122.820 -0.138 0.000 2.178 126 A HA 0.506 4.829 4.320 0.005 0.000 0.211 126 A C 2.544 180.042 177.584 -0.142 0.000 1.157 126 A CA 1.774 53.718 52.037 -0.154 0.000 0.780 126 A CB -0.424 18.456 19.000 -0.201 0.000 0.828 126 A HN 2.303 nan 8.150 nan 0.000 0.476 127 G N -0.254 108.466 108.800 -0.134 0.000 2.559 127 G HA2 -0.084 3.879 3.960 0.005 0.000 0.216 127 G HA3 -0.084 3.879 3.960 0.005 0.000 0.216 127 G C 1.020 175.868 174.900 -0.087 0.000 1.126 127 G CA 0.886 45.909 45.100 -0.127 0.000 0.778 127 G HN 0.653 nan 8.290 nan 0.000 0.543 128 E N -0.981 119.180 120.200 -0.065 0.000 2.601 128 E HA 0.281 4.634 4.350 0.005 0.000 0.219 128 E C 1.363 177.915 176.600 -0.080 0.000 0.964 128 E CA 0.052 56.418 56.400 -0.056 0.000 1.050 128 E CB 0.714 30.417 29.700 0.005 0.000 1.068 128 E HN 0.255 nan 8.360 nan 0.000 0.496 129 G N 2.445 111.187 108.800 -0.096 0.000 2.249 129 G HA2 -0.328 3.635 3.960 0.005 0.000 0.273 129 G HA3 -0.328 3.635 3.960 0.005 0.000 0.273 129 G C 0.880 175.673 174.900 -0.178 0.000 1.036 129 G CA 0.296 45.318 45.100 -0.130 0.000 0.824 129 G HN 0.191 nan 8.290 nan 0.000 0.504 130 Q N -0.779 118.966 119.800 -0.092 0.000 2.500 130 Q HA -0.055 4.288 4.340 0.005 0.000 0.213 130 Q C 2.322 178.217 176.000 -0.176 0.000 0.974 130 Q CA 1.301 57.092 55.803 -0.021 0.000 0.918 130 Q CB 0.002 28.762 28.738 0.036 0.000 0.980 130 Q HN 0.903 nan 8.270 nan 0.000 0.505 131 Q N 1.123 120.764 119.800 -0.266 0.000 2.291 131 Q HA -0.154 4.189 4.340 0.005 0.000 0.206 131 Q C 1.719 177.490 176.000 -0.382 0.000 0.976 131 Q CA 0.934 56.546 55.803 -0.318 0.000 0.875 131 Q CB 0.136 28.718 28.738 -0.261 0.000 0.927 131 Q HN 0.361 nan 8.270 nan 0.000 0.450 132 R N -1.263 118.901 120.500 -0.559 0.000 2.310 132 R HA 0.102 4.445 4.340 0.005 0.000 0.202 132 R C -0.306 175.528 176.300 -0.777 0.000 0.933 132 R CA -0.040 55.597 56.100 -0.770 0.000 1.054 132 R CB 0.164 29.794 30.300 -1.117 0.000 0.985 132 R HN 0.012 nan 8.270 nan 0.000 0.489 133 F N 0.551 120.353 119.950 -0.247 0.000 2.594 133 F HA 0.611 5.141 4.527 0.005 0.000 0.335 133 F C 0.507 176.203 175.800 -0.172 0.000 1.058 133 F CA -1.614 56.274 58.000 -0.185 0.000 0.981 133 F CB 1.135 40.047 39.000 -0.146 0.000 1.289 133 F HN -0.094 nan 8.300 nan 0.000 0.490 134 A N 1.600 124.491 122.820 0.119 0.000 2.407 134 A HA 0.357 4.680 4.320 0.005 0.000 0.248 134 A C -1.844 175.771 177.584 0.052 0.000 1.082 134 A CA -1.036 51.026 52.037 0.042 0.000 0.785 134 A CB -0.188 18.849 19.000 0.060 0.000 1.020 134 A HN 0.551 nan 8.150 nan 0.000 0.489 135 P HA 0.061 nan 4.420 nan 0.000 0.245 135 P C 1.160 178.295 177.300 -0.275 0.000 1.203 135 P CA 0.368 63.486 63.100 0.030 0.000 0.792 135 P CB 0.145 32.006 31.700 0.268 0.000 0.997 136 L N 1.004 121.880 121.223 -0.579 0.000 2.131 136 L HA -0.165 4.178 4.340 0.005 0.000 0.210 136 L C 2.303 178.880 176.870 -0.489 0.000 1.092 136 L CA 1.764 56.015 54.840 -0.982 0.000 0.759 136 L CB -1.191 40.331 42.059 -0.895 0.000 0.903 136 L HN 0.124 nan 8.230 nan 0.000 0.435 137 N N -1.085 117.442 118.700 -0.288 0.000 2.430 137 N HA -0.164 4.579 4.740 0.005 0.000 0.186 137 N C 1.183 176.667 175.510 -0.044 0.000 1.032 137 N CA 1.424 54.369 53.050 -0.176 0.000 0.893 137 N CB -0.373 37.992 38.487 -0.204 0.000 0.957 137 N HN 0.104 nan 8.380 nan 0.000 0.442 138 S N -1.708 113.958 115.700 -0.057 0.000 2.730 138 S HA 0.175 4.648 4.470 0.005 0.000 0.244 138 S C -0.668 173.963 174.600 0.050 0.000 1.022 138 S CA -0.814 57.364 58.200 -0.036 0.000 1.014 138 S CB 0.036 63.131 63.200 -0.176 0.000 0.963 138 S HN 0.244 nan 8.310 nan 0.000 0.540 139 W N 3.402 124.570 121.300 -0.220 0.000 2.193 139 W HA 0.220 4.883 4.660 0.004 0.000 0.338 139 W C -1.932 174.435 176.519 -0.253 0.000 1.310 139 W CA -1.986 55.110 57.345 -0.414 0.000 1.243 139 W CB -0.276 28.985 29.460 -0.330 0.000 1.165 139 W HN 0.103 nan 8.180 nan 0.000 0.566 140 P HA -0.231 nan 4.420 nan 0.000 0.216 140 P C 1.230 178.429 177.300 -0.169 0.000 1.153 140 P CA 1.883 64.885 63.100 -0.163 0.000 0.858 140 P CB 0.312 31.904 31.700 -0.181 0.000 0.789 141 D N -1.547 118.806 120.400 -0.078 0.000 2.310 141 D HA -0.077 4.566 4.640 0.005 0.000 0.212 141 D C 0.946 177.299 176.300 0.088 0.000 0.965 141 D CA 0.741 54.745 54.000 0.006 0.000 0.879 141 D CB -0.559 40.212 40.800 -0.049 0.000 0.921 141 D HN 0.028 nan 8.370 nan 0.000 0.510 142 N N 0.024 118.730 118.700 0.011 0.000 2.276 142 N HA 0.158 4.901 4.740 0.005 0.000 0.212 142 N C -0.340 174.948 175.510 -0.370 0.000 1.127 142 N CA -0.077 52.963 53.050 -0.018 0.000 0.834 142 N CB 0.374 38.877 38.487 0.028 0.000 1.014 142 N HN 0.003 nan 8.380 nan 0.000 0.491 143 A N 1.067 123.395 122.820 -0.819 0.000 2.567 143 A HA 0.084 4.407 4.320 0.005 0.000 0.240 143 A C 0.932 177.987 177.584 -0.881 0.000 1.053 143 A CA 0.067 51.051 52.037 -1.754 0.000 0.755 143 A CB -0.058 18.040 19.000 -1.503 0.000 0.978 143 A HN 0.451 nan 8.150 nan 0.000 0.507 144 N N 0.110 118.376 118.700 -0.723 0.000 2.900 144 N HA -0.184 4.559 4.740 0.005 0.000 0.240 144 N C 0.683 176.005 175.510 -0.313 0.000 0.953 144 N CA 1.517 54.316 53.050 -0.418 0.000 0.950 144 N CB -1.286 36.937 38.487 -0.440 0.000 1.102 144 N HN 0.686 nan 8.380 nan 0.000 0.593 145 L N 1.029 122.130 121.223 -0.204 0.000 2.395 145 L HA -0.091 4.252 4.340 0.005 0.000 0.218 145 L C 2.114 178.941 176.870 -0.072 0.000 1.130 145 L CA 1.206 55.980 54.840 -0.111 0.000 0.826 145 L CB -0.326 41.686 42.059 -0.077 0.000 0.941 145 L HN 0.226 nan 8.230 nan 0.000 0.451 146 D N 0.268 120.653 120.400 -0.025 0.000 2.182 146 D HA -0.223 4.420 4.640 0.005 0.000 0.201 146 D C 1.649 177.901 176.300 -0.080 0.000 0.986 146 D CA 1.112 55.084 54.000 -0.047 0.000 0.847 146 D CB -0.151 40.655 40.800 0.009 0.000 0.942 146 D HN 0.200 nan 8.370 nan 0.000 0.467 147 K N 1.203 121.504 120.400 -0.166 0.000 2.025 147 K HA 0.069 4.392 4.320 0.005 0.000 0.207 147 K C 2.422 179.017 176.600 -0.007 0.000 1.049 147 K CA 1.180 57.392 56.287 -0.124 0.000 0.933 147 K CB -0.838 31.235 32.500 -0.712 0.000 0.714 147 K HN 0.264 nan 8.250 nan 0.000 0.438 148 A N 2.120 124.889 122.820 -0.085 0.000 1.883 148 A HA -0.198 4.125 4.320 0.005 0.000 0.217 148 A C 2.287 180.040 177.584 0.282 0.000 1.186 148 A CA 1.604 53.667 52.037 0.044 0.000 0.624 148 A CB -0.462 18.564 19.000 0.044 0.000 0.822 148 A HN 0.275 nan 8.150 nan 0.000 0.444 149 R N -1.418 119.178 120.500 0.161 0.000 2.096 149 R HA -0.106 4.237 4.340 0.005 0.000 0.235 149 R C 2.406 178.878 176.300 0.286 0.000 1.127 149 R CA 1.444 57.648 56.100 0.173 0.000 0.968 149 R CB -0.255 29.967 30.300 -0.129 0.000 0.861 149 R HN 0.412 nan 8.270 nan 0.000 0.440 150 R N 1.362 121.992 120.500 0.216 0.000 2.115 150 R HA -0.029 4.314 4.340 0.005 0.000 0.230 150 R C 1.931 178.521 176.300 0.483 0.000 1.111 150 R CA 1.171 57.447 56.100 0.293 0.000 0.976 150 R CB -0.525 29.848 30.300 0.121 0.000 0.870 150 R HN 0.193 nan 8.270 nan 0.000 0.445 151 L N -0.189 121.315 121.223 0.468 0.000 2.265 151 L HA -0.094 4.249 4.340 0.005 0.000 0.215 151 L C 1.720 178.796 176.870 0.345 0.000 1.117 151 L CA 0.859 55.932 54.840 0.389 0.000 0.782 151 L CB -0.208 41.950 42.059 0.165 0.000 0.914 151 L HN 0.197 nan 8.230 nan 0.000 0.441 152 L N -1.713 119.735 121.223 0.375 0.000 2.558 152 L HA -0.099 4.244 4.340 0.005 0.000 0.225 152 L C 2.169 179.195 176.870 0.260 0.000 1.128 152 L CA 0.119 55.108 54.840 0.249 0.000 0.868 152 L CB -0.347 41.858 42.059 0.244 0.000 1.006 152 L HN 0.485 nan 8.230 nan 0.000 0.454 153 W N 3.044 124.498 121.300 0.256 0.000 2.335 153 W HA -0.171 4.492 4.660 0.005 0.000 0.311 153 W C -0.957 175.603 176.519 0.069 0.000 1.213 153 W CA 1.211 58.680 57.345 0.206 0.000 1.274 153 W CB -1.107 28.510 29.460 0.261 0.000 1.148 153 W HN 0.098 nan 8.180 nan 0.000 0.498 154 P HA -0.205 nan 4.420 nan 0.000 0.216 154 P C 1.691 178.782 177.300 -0.348 0.000 1.150 154 P CA 2.145 64.994 63.100 -0.419 0.000 0.837 154 P CB -0.314 31.305 31.700 -0.135 0.000 0.786 155 I N -0.908 119.556 120.570 -0.177 0.000 2.252 155 I HA -0.237 3.936 4.170 0.005 0.000 0.245 155 I C 2.391 178.439 176.117 -0.114 0.000 1.102 155 I CA 1.327 62.580 61.300 -0.078 0.000 1.385 155 I CB -0.315 37.684 38.000 -0.003 0.000 1.064 155 I HN -0.138 nan 8.210 nan 0.000 0.414 156 K N 1.128 121.365 120.400 -0.272 0.000 2.032 156 K HA -0.268 4.055 4.320 0.005 0.000 0.209 156 K C 2.145 178.550 176.600 -0.325 0.000 1.048 156 K CA 1.701 57.777 56.287 -0.352 0.000 0.927 156 K CB -0.329 31.777 32.500 -0.658 0.000 0.712 156 K HN 0.258 nan 8.250 nan 0.000 0.441 157 Q N 0.418 119.794 119.800 -0.707 0.000 2.096 157 Q HA -0.253 4.090 4.340 0.005 0.000 0.204 157 Q C 2.045 177.798 176.000 -0.411 0.000 0.982 157 Q CA 2.141 57.472 55.803 -0.787 0.000 0.850 157 Q CB -0.167 27.741 28.738 -1.382 0.000 0.901 157 Q HN 0.351 nan 8.270 nan 0.000 0.422 158 K N -0.843 119.307 120.400 -0.416 0.000 2.057 158 K HA -0.179 4.144 4.320 0.005 0.000 0.207 158 K C 1.370 177.680 176.600 -0.484 0.000 1.049 158 K CA 1.560 57.571 56.287 -0.460 0.000 0.931 158 K CB -0.091 32.060 32.500 -0.581 0.000 0.714 158 K HN 0.319 nan 8.250 nan 0.000 0.440 159 Y N -0.023 120.195 120.300 -0.136 0.000 2.500 159 Y HA 0.176 4.729 4.550 0.005 0.000 0.270 159 Y C 1.479 177.362 175.900 -0.030 0.000 1.134 159 Y CA 0.193 58.248 58.100 -0.075 0.000 1.293 159 Y CB 0.478 38.896 38.460 -0.070 0.000 1.063 159 Y HN 0.377 nan 8.280 nan 0.000 0.534 160 G N 1.784 110.618 108.800 0.057 0.000 2.574 160 G HA2 -0.424 3.539 3.960 0.005 0.000 0.286 160 G HA3 -0.424 3.539 3.960 0.005 0.000 0.286 160 G C 1.180 176.171 174.900 0.151 0.000 1.212 160 G CA 0.662 45.810 45.100 0.080 0.000 0.979 160 G HN 0.479 nan 8.290 nan 0.000 0.557 161 R N 0.839 121.446 120.500 0.178 0.000 2.280 161 R HA 0.391 4.734 4.340 0.005 0.000 0.207 161 R C 2.518 179.106 176.300 0.480 0.000 1.043 161 R CA 1.803 58.068 56.100 0.276 0.000 1.006 161 R CB -0.356 30.030 30.300 0.144 0.000 0.885 161 R HN 1.047 nan 8.270 nan 0.000 0.467 162 A N 1.435 124.469 122.820 0.357 0.000 2.119 162 A HA 0.115 4.438 4.320 0.005 0.000 0.217 162 A C 1.133 178.969 177.584 0.420 0.000 1.153 162 A CA 0.500 52.734 52.037 0.330 0.000 0.692 162 A CB 0.009 19.118 19.000 0.182 0.000 0.799 162 A HN 0.433 nan 8.150 nan 0.000 0.458 163 I N 0.595 121.407 120.570 0.404 0.000 2.478 163 I HA 0.297 4.470 4.170 0.005 0.000 0.287 163 I C 0.095 176.369 176.117 0.260 0.000 1.042 163 I CA -0.660 60.902 61.300 0.436 0.000 1.067 163 I CB 1.972 40.098 38.000 0.210 0.000 1.233 163 I HN 0.198 nan 8.210 nan 0.000 0.431 164 S N 4.472 120.298 115.700 0.210 0.000 2.593 164 S HA 0.139 4.612 4.470 0.005 0.000 0.269 164 S C 0.684 175.271 174.600 -0.022 0.000 1.334 164 S CA -0.267 57.888 58.200 -0.076 0.000 1.015 164 S CB 0.690 63.649 63.200 -0.402 0.000 0.912 164 S HN 0.816 nan 8.310 nan 0.000 0.541 165 W N 1.117 122.374 121.300 -0.070 0.000 2.338 165 W HA -0.092 4.570 4.660 0.005 0.000 0.304 165 W C 2.781 179.243 176.519 -0.096 0.000 1.212 165 W CA 1.337 58.636 57.345 -0.076 0.000 1.264 165 W CB -0.631 28.738 29.460 -0.152 0.000 1.142 165 W HN 0.931 nan 8.180 nan 0.000 0.512 166 A N 0.134 123.007 122.820 0.088 0.000 1.883 166 A HA -0.250 4.073 4.320 0.005 0.000 0.217 166 A C 1.682 179.275 177.584 0.015 0.000 1.186 166 A CA 2.256 54.292 52.037 -0.003 0.000 0.624 166 A CB -0.930 18.016 19.000 -0.090 0.000 0.822 166 A HN 0.170 nan 8.150 nan 0.000 0.444 167 D N -0.659 119.767 120.400 0.043 0.000 2.117 167 D HA -0.102 4.541 4.640 0.005 0.000 0.198 167 D C 1.835 178.244 176.300 0.182 0.000 0.982 167 D CA 1.088 55.182 54.000 0.156 0.000 0.828 167 D CB -0.380 40.560 40.800 0.234 0.000 0.967 167 D HN 0.306 nan 8.370 nan 0.000 0.464 168 L N 0.728 122.012 121.223 0.101 0.000 2.083 168 L HA -0.106 4.237 4.340 0.005 0.000 0.209 168 L C 2.139 179.027 176.870 0.029 0.000 1.083 168 L CA 1.315 56.166 54.840 0.019 0.000 0.752 168 L CB -0.508 41.511 42.059 -0.067 0.000 0.899 168 L HN 0.033 nan 8.230 nan 0.000 0.433 169 L N -1.253 120.030 121.223 0.101 0.000 2.017 169 L HA -0.241 4.102 4.340 0.005 0.000 0.208 169 L C 2.478 179.396 176.870 0.079 0.000 1.073 169 L CA 0.973 55.872 54.840 0.098 0.000 0.745 169 L CB -0.712 41.405 42.059 0.097 0.000 0.894 169 L HN 0.254 nan 8.230 nan 0.000 0.432 170 I N -0.291 120.328 120.570 0.083 0.000 2.252 170 I HA -0.254 3.919 4.170 0.005 0.000 0.245 170 I C 2.531 178.720 176.117 0.119 0.000 1.102 170 I CA 1.310 62.684 61.300 0.124 0.000 1.385 170 I CB -1.055 37.003 38.000 0.096 0.000 1.064 170 I HN 0.243 nan 8.210 nan 0.000 0.414 171 L N 0.789 121.979 121.223 -0.055 0.000 2.083 171 L HA -0.179 4.164 4.340 0.005 0.000 0.209 171 L C 2.440 179.172 176.870 -0.230 0.000 1.083 171 L CA 1.982 56.564 54.840 -0.429 0.000 0.752 171 L CB -0.933 40.751 42.059 -0.625 0.000 0.899 171 L HN 0.168 nan 8.230 nan 0.000 0.433 172 T N -0.600 113.852 114.554 -0.169 0.000 2.746 172 T HA -0.108 4.245 4.350 0.005 0.000 0.267 172 T C 1.736 176.381 174.700 -0.091 0.000 1.039 172 T CA 1.214 63.173 62.100 -0.235 0.000 1.142 172 T CB -0.948 67.689 68.868 -0.386 0.000 0.866 172 T HN 0.593 nan 8.240 nan 0.000 0.444 173 G N 1.909 110.763 108.800 0.090 0.000 2.476 173 G HA2 -0.308 3.655 3.960 0.005 0.000 0.218 173 G HA3 -0.308 3.655 3.960 0.005 0.000 0.218 173 G C 1.642 176.633 174.900 0.152 0.000 1.164 173 G CA 1.088 46.341 45.100 0.255 0.000 0.768 173 G HN 0.404 nan 8.290 nan 0.000 0.560 174 N N 0.137 118.952 118.700 0.192 0.000 2.084 174 N HA -0.093 4.650 4.740 0.005 0.000 0.190 174 N C 2.270 177.751 175.510 -0.049 0.000 1.030 174 N CA 1.143 54.263 53.050 0.115 0.000 0.849 174 N CB -0.577 37.996 38.487 0.142 0.000 1.012 174 N HN 0.189 nan 8.380 nan 0.000 0.423 175 V N 1.008 120.842 119.914 -0.133 0.000 2.407 175 V HA -0.183 3.940 4.120 0.005 0.000 0.248 175 V C 2.252 178.206 176.094 -0.234 0.000 1.055 175 V CA 1.708 63.846 62.300 -0.270 0.000 1.049 175 V CB -0.997 30.595 31.823 -0.386 0.000 0.662 175 V HN 0.332 nan 8.190 nan 0.000 0.455 176 A N -0.066 122.685 122.820 -0.116 0.000 1.865 176 A HA -0.199 4.124 4.320 0.005 0.000 0.217 176 A C 2.221 179.710 177.584 -0.158 0.000 1.191 176 A CA 1.996 54.019 52.037 -0.024 0.000 0.623 176 A CB -0.613 18.436 19.000 0.081 0.000 0.826 176 A HN 0.480 nan 8.150 nan 0.000 0.444 177 L N -0.729 120.331 121.223 -0.272 0.000 1.990 177 L HA -0.271 4.072 4.340 0.005 0.000 0.213 177 L C 2.695 179.519 176.870 -0.077 0.000 1.072 177 L CA 2.058 56.700 54.840 -0.330 0.000 0.755 177 L CB -0.653 41.189 42.059 -0.362 0.000 0.889 177 L HN 0.489 nan 8.230 nan 0.000 0.432 178 E N -0.783 119.402 120.200 -0.025 0.000 2.051 178 E HA -0.245 4.108 4.350 0.005 0.000 0.192 178 E C 2.321 179.014 176.600 0.156 0.000 0.991 178 E CA 1.460 57.899 56.400 0.065 0.000 0.799 178 E CB -0.182 29.573 29.700 0.092 0.000 0.748 178 E HN 0.313 nan 8.360 nan 0.000 0.449 179 S N 0.332 116.127 115.700 0.159 0.000 2.387 179 S HA -0.159 4.314 4.470 0.005 0.000 0.230 179 S C 1.702 176.429 174.600 0.211 0.000 1.035 179 S CA 1.210 59.577 58.200 0.279 0.000 1.014 179 S CB -0.065 63.297 63.200 0.270 0.000 0.836 179 S HN 0.184 nan 8.310 nan 0.000 0.466 180 M N 0.209 119.872 119.600 0.105 0.000 2.493 180 M HA 0.266 4.749 4.480 0.005 0.000 0.244 180 M C 1.199 177.660 176.300 0.268 0.000 1.182 180 M CA 0.512 55.884 55.300 0.120 0.000 0.981 180 M CB 0.553 33.166 32.600 0.023 0.000 1.551 180 M HN 0.520 nan 8.290 nan 0.000 0.476 181 G N 1.317 110.244 108.800 0.212 0.000 2.144 181 G HA2 -0.266 3.697 3.960 0.005 0.000 0.218 181 G HA3 -0.266 3.697 3.960 0.005 0.000 0.218 181 G C -0.367 174.631 174.900 0.164 0.000 0.988 181 G CA -0.579 44.648 45.100 0.212 0.000 0.659 181 G HN 0.467 nan 8.290 nan 0.000 0.522 182 F N 1.836 121.738 119.950 -0.081 0.000 2.427 182 F HA 0.663 5.192 4.527 0.005 0.000 0.346 182 F C 0.400 176.039 175.800 -0.269 0.000 1.120 182 F CA -1.237 56.550 58.000 -0.357 0.000 1.033 182 F CB 1.168 39.883 39.000 -0.475 0.000 1.126 182 F HN 0.002 nan 8.300 nan 0.000 0.462 183 K N 5.373 125.265 120.400 -0.846 0.000 2.316 183 K HA 0.236 4.559 4.320 0.005 0.000 0.289 183 K C -0.135 176.097 176.600 -0.613 0.000 1.070 183 K CA -0.338 55.623 56.287 -0.544 0.000 0.928 183 K CB 0.541 32.794 32.500 -0.412 0.000 1.039 183 K HN 0.803 nan 8.250 nan 0.000 0.480 184 T N 1.155 115.583 114.554 -0.210 0.000 2.882 184 T HA 0.112 4.464 4.350 0.005 0.000 0.287 184 T C 0.871 175.599 174.700 0.046 0.000 1.014 184 T CA -0.631 61.476 62.100 0.013 0.000 1.049 184 T CB 0.612 69.586 68.868 0.177 0.000 1.001 184 T HN 0.527 nan 8.240 nan 0.000 0.525 185 F N 1.343 121.289 119.950 -0.006 0.000 2.407 185 F HA 0.363 4.893 4.527 0.005 0.000 0.299 185 F C 1.282 176.975 175.800 -0.179 0.000 1.097 185 F CA 1.139 59.078 58.000 -0.102 0.000 1.422 185 F CB -0.430 38.523 39.000 -0.078 0.000 1.067 185 F HN 1.195 nan 8.300 nan 0.000 0.539 186 G N -1.113 107.704 108.800 0.028 0.000 2.356 186 G HA2 0.318 4.281 3.960 0.005 0.000 0.300 186 G HA3 0.318 4.281 3.960 0.005 0.000 0.300 186 G C -2.144 172.991 174.900 0.392 0.000 1.331 186 G CA -0.531 44.561 45.100 -0.013 0.000 0.905 186 G HN 0.191 nan 8.290 nan 0.000 0.587 187 F N 0.201 120.279 119.950 0.215 0.000 2.635 187 F HA 0.767 5.297 4.527 0.006 0.000 0.314 187 F C -0.621 175.358 175.800 0.298 0.000 1.119 187 F CA -0.005 58.216 58.000 0.368 0.000 1.000 187 F CB 1.683 40.842 39.000 0.265 0.000 1.278 187 F HN 1.361 nan 8.300 nan 0.000 0.446 188 A N 3.551 126.070 122.820 -0.500 0.000 2.355 188 A HA 0.807 5.130 4.320 0.005 0.000 0.317 188 A C -0.210 176.691 177.584 -1.139 0.000 1.094 188 A CA -0.188 51.506 52.037 -0.571 0.000 0.764 188 A CB 1.004 19.715 19.000 -0.481 0.000 1.230 188 A HN 1.278 nan 8.150 nan 0.000 0.448 189 G N -0.380 107.934 108.800 -0.811 0.000 2.557 189 G HA2 0.560 4.523 3.960 0.005 0.000 0.292 189 G HA3 0.560 4.523 3.960 0.005 0.000 0.292 189 G C 0.859 175.314 174.900 -0.743 0.000 1.237 189 G CA -0.104 44.356 45.100 -1.067 0.000 0.978 189 G HN 2.198 nan 8.290 nan 0.000 0.498 190 G N -1.547 106.908 108.800 -0.576 0.000 2.183 190 G HA2 -0.183 3.780 3.960 0.005 0.000 0.168 190 G HA3 -0.183 3.780 3.960 0.005 0.000 0.168 190 G C 0.380 175.288 174.900 0.013 0.000 1.008 190 G CA -0.309 44.680 45.100 -0.184 0.000 0.677 190 G HN 0.721 nan 8.290 nan 0.000 0.498 191 R N 1.155 121.626 120.500 -0.048 0.000 2.272 191 R HA 0.579 4.922 4.340 0.005 0.000 0.334 191 R C 0.839 177.046 176.300 -0.154 0.000 1.117 191 R CA 0.470 56.514 56.100 -0.092 0.000 0.966 191 R CB 0.863 31.073 30.300 -0.151 0.000 1.049 191 R HN 0.464 nan 8.270 nan 0.000 0.477 192 A N 3.249 126.003 122.820 -0.109 0.000 2.440 192 A HA 0.055 4.378 4.320 0.005 0.000 0.251 192 A C -0.070 177.373 177.584 -0.236 0.000 1.089 192 A CA -0.456 51.434 52.037 -0.244 0.000 0.779 192 A CB 0.266 19.284 19.000 0.031 0.000 1.022 192 A HN 0.553 nan 8.150 nan 0.000 0.492 193 D N 1.092 121.301 120.400 -0.317 0.000 2.382 193 D HA 0.364 5.007 4.640 0.005 0.000 0.240 193 D C 0.887 176.871 176.300 -0.527 0.000 1.146 193 D CA 0.959 54.717 54.000 -0.404 0.000 0.897 193 D CB 0.970 41.452 40.800 -0.531 0.000 1.197 193 D HN 0.700 nan 8.370 nan 0.000 0.432 194 T N -1.990 112.182 114.554 -0.637 0.000 2.927 194 T HA 0.537 4.890 4.350 0.005 0.000 0.286 194 T C 0.106 174.263 174.700 -0.906 0.000 1.040 194 T CA -0.814 60.892 62.100 -0.657 0.000 1.010 194 T CB 1.192 69.843 68.868 -0.363 0.000 1.177 194 T HN 0.542 nan 8.240 nan 0.000 0.546 195 W N 0.154 121.344 121.300 -0.183 0.000 2.534 195 W HA 0.335 4.998 4.660 0.005 0.000 0.339 195 W C 0.444 176.622 176.519 -0.568 0.000 0.961 195 W CA -0.664 56.566 57.345 -0.192 0.000 1.545 195 W CB 0.647 30.054 29.460 -0.089 0.000 1.104 195 W HN 0.975 nan 8.180 nan 0.000 0.538 196 E N -0.577 119.201 120.200 -0.703 0.000 2.423 196 E HA 0.391 4.744 4.350 0.005 0.000 0.280 196 E C -2.923 173.272 176.600 -0.676 0.000 1.030 196 E CA -2.517 53.448 56.400 -0.726 0.000 0.812 196 E CB 1.679 31.226 29.700 -0.257 0.000 1.313 196 E HN -0.374 nan 8.360 nan 0.000 0.456 197 P HA -0.021 nan 4.420 nan 0.000 0.265 197 P C -0.649 176.638 177.300 -0.022 0.000 1.193 197 P CA 0.184 63.199 63.100 -0.141 0.000 0.765 197 P CB 0.479 32.161 31.700 -0.030 0.000 0.823 198 E N 2.559 122.792 120.200 0.054 0.000 2.392 198 E HA -0.003 4.350 4.350 0.005 0.000 0.264 198 E C -0.489 176.148 176.600 0.062 0.000 1.024 198 E CA -0.271 56.179 56.400 0.084 0.000 0.903 198 E CB 0.330 30.090 29.700 0.101 0.000 0.963 198 E HN 0.378 nan 8.360 nan 0.000 0.432 199 D N 4.146 124.556 120.400 0.017 0.000 2.393 199 D HA 0.160 4.803 4.640 0.005 0.000 0.232 199 D C -0.816 175.430 176.300 -0.090 0.000 1.192 199 D CA -0.004 53.991 54.000 -0.009 0.000 0.882 199 D CB 1.026 41.816 40.800 -0.016 0.000 1.038 199 D HN 0.064 nan 8.370 nan 0.000 0.499 200 V N 2.913 122.725 119.914 -0.170 0.000 2.656 200 V HA 0.130 4.253 4.120 0.005 0.000 0.307 200 V C -0.483 175.286 176.094 -0.541 0.000 1.051 200 V CA -1.121 60.885 62.300 -0.490 0.000 0.893 200 V CB 1.975 33.204 31.823 -0.990 0.000 0.999 200 V HN 0.364 nan 8.190 nan 0.000 0.426 201 Y N 2.763 122.751 120.300 -0.521 0.000 2.539 201 Y HA 0.262 4.815 4.550 0.005 0.000 0.352 201 Y C 0.200 175.876 175.900 -0.374 0.000 1.004 201 Y CA -0.675 57.224 58.100 -0.334 0.000 1.278 201 Y CB 0.589 38.925 38.460 -0.207 0.000 1.136 201 Y HN 0.771 nan 8.280 nan 0.000 0.528 202 W N 4.429 125.480 121.300 -0.416 0.000 3.278 202 W HA 0.474 5.137 4.660 0.005 0.000 0.308 202 W C 0.794 176.971 176.519 -0.570 0.000 1.253 202 W CA 0.455 57.611 57.345 -0.315 0.000 1.759 202 W CB 0.432 29.919 29.460 0.045 0.000 1.093 202 W HN 0.981 nan 8.180 nan 0.000 0.648 203 G N -0.555 107.640 108.800 -1.009 0.000 2.357 203 G HA2 -0.066 3.897 3.960 0.005 0.000 0.643 203 G HA3 -0.066 3.897 3.960 0.005 0.000 0.643 203 G C -0.054 174.651 174.900 -0.325 0.000 1.358 203 G CA -0.396 44.311 45.100 -0.654 0.000 0.986 203 G HN -0.228 nan 8.290 nan 0.000 0.620 204 S N -0.203 115.474 115.700 -0.040 0.000 2.539 204 S HA 0.244 4.717 4.470 0.005 0.000 0.221 204 S C 0.611 175.200 174.600 -0.018 0.000 0.987 204 S CA 0.218 58.458 58.200 0.066 0.000 0.929 204 S CB 0.232 63.523 63.200 0.151 0.000 0.832 204 S HN 0.571 nan 8.310 nan 0.000 0.492 205 E N 1.793 121.951 120.200 -0.070 0.000 2.392 205 E HA 0.148 4.501 4.350 0.005 0.000 0.264 205 E C 0.640 177.143 176.600 -0.160 0.000 1.024 205 E CA 0.114 56.458 56.400 -0.094 0.000 0.903 205 E CB 0.455 30.097 29.700 -0.096 0.000 0.963 205 E HN -0.120 nan 8.360 nan 0.000 0.432 206 K N 1.725 122.037 120.400 -0.146 0.000 2.373 206 K HA 0.299 4.622 4.320 0.005 0.000 0.202 206 K C -0.154 176.306 176.600 -0.233 0.000 1.025 206 K CA 0.080 56.255 56.287 -0.187 0.000 1.115 206 K CB 0.333 32.765 32.500 -0.115 0.000 0.858 206 K HN 0.440 nan 8.250 nan 0.000 0.525 207 I N 0.265 120.705 120.570 -0.216 0.000 2.466 207 I HA 0.249 4.422 4.170 0.005 0.000 0.289 207 I C -0.566 175.457 176.117 -0.157 0.000 1.026 207 I CA -1.022 60.178 61.300 -0.167 0.000 1.078 207 I CB 1.483 39.451 38.000 -0.053 0.000 1.249 207 I HN -0.042 nan 8.210 nan 0.000 0.429 208 W N 6.941 128.219 121.300 -0.038 0.000 2.343 208 W HA 0.138 4.801 4.660 0.005 0.000 0.337 208 W C 0.942 177.422 176.519 -0.066 0.000 1.320 208 W CA -0.145 57.159 57.345 -0.068 0.000 1.290 208 W CB 0.175 29.612 29.460 -0.039 0.000 1.206 208 W HN 0.466 nan 8.180 nan 0.000 0.565 209 L N 0.995 122.335 121.223 0.194 0.000 4.179 209 L HA -0.302 4.041 4.340 0.005 0.000 0.418 209 L C 0.764 177.669 176.870 0.059 0.000 1.168 209 L CA 0.315 55.205 54.840 0.084 0.000 0.972 209 L CB -1.805 40.302 42.059 0.080 0.000 2.005 209 L HN 0.564 nan 8.230 nan 0.000 0.935 210 E N 1.210 121.434 120.200 0.039 0.000 2.452 210 E HA 0.214 4.567 4.350 0.005 0.000 0.261 210 E C 0.322 176.949 176.600 0.045 0.000 0.987 210 E CA -0.195 56.224 56.400 0.030 0.000 0.926 210 E CB 0.560 30.263 29.700 0.005 0.000 0.934 210 E HN 0.269 nan 8.360 nan 0.000 0.452 211 L N 2.984 124.235 121.223 0.047 0.000 2.466 211 L HA 0.139 4.482 4.340 0.005 0.000 0.257 211 L C 0.908 177.816 176.870 0.064 0.000 1.189 211 L CA -0.650 54.222 54.840 0.054 0.000 0.813 211 L CB 0.813 42.896 42.059 0.040 0.000 1.118 211 L HN 0.626 nan 8.230 nan 0.000 0.471 212 S N -0.139 115.605 115.700 0.073 0.000 2.580 212 S HA 0.369 4.842 4.470 0.005 0.000 0.266 212 S C 1.008 175.652 174.600 0.073 0.000 1.354 212 S CA -0.056 58.211 58.200 0.112 0.000 1.008 212 S CB 1.101 64.352 63.200 0.085 0.000 0.898 212 S HN 1.122 nan 8.310 nan 0.000 0.555 213 G N 0.162 109.017 108.800 0.091 0.000 2.157 213 G HA2 -0.079 3.884 3.960 0.005 0.000 0.248 213 G HA3 -0.079 3.884 3.960 0.005 0.000 0.248 213 G C 0.552 175.480 174.900 0.048 0.000 0.979 213 G CA 0.145 45.282 45.100 0.063 0.000 0.650 213 G HN 1.356 nan 8.290 nan 0.000 0.529 214 G N 0.219 109.048 108.800 0.048 0.000 2.588 214 G HA2 0.571 4.534 3.960 0.005 0.000 0.278 214 G HA3 0.571 4.534 3.960 0.005 0.000 0.278 214 G C -0.123 174.795 174.900 0.030 0.000 1.307 214 G CA 0.030 45.149 45.100 0.032 0.000 1.016 214 G HN 0.148 nan 8.290 nan 0.000 0.503 215 P HA -0.041 nan 4.420 nan 0.000 0.222 215 P C 0.397 177.709 177.300 0.021 0.000 1.147 215 P CA 0.860 63.970 63.100 0.017 0.000 0.790 215 P CB 0.333 32.038 31.700 0.008 0.000 0.780 216 N N -0.403 118.309 118.700 0.020 0.000 2.480 216 N HA 0.050 4.793 4.740 0.005 0.000 0.281 216 N C -0.202 175.329 175.510 0.035 0.000 1.381 216 N CA -0.040 53.026 53.050 0.026 0.000 0.903 216 N CB 0.447 38.941 38.487 0.012 0.000 1.274 216 N HN -0.029 nan 8.380 nan 0.000 0.505 217 S N 1.195 116.924 115.700 0.048 0.000 2.546 217 S HA -0.013 4.460 4.470 0.005 0.000 0.290 217 S C 1.559 176.191 174.600 0.054 0.000 1.290 217 S CA -0.266 57.977 58.200 0.072 0.000 1.069 217 S CB 0.588 63.846 63.200 0.096 0.000 0.846 217 S HN 0.468 nan 8.310 nan 0.000 0.495 218 R N 3.551 124.066 120.500 0.025 0.000 2.313 218 R HA 0.102 4.445 4.340 0.005 0.000 0.199 218 R C -0.553 175.598 176.300 -0.247 0.000 0.958 218 R CA 0.365 56.405 56.100 -0.100 0.000 1.047 218 R CB -0.139 30.058 30.300 -0.172 0.000 0.955 218 R HN 0.581 nan 8.270 nan 0.000 0.481 219 Y N 1.081 121.405 120.300 0.040 0.000 2.387 219 Y HA 0.373 4.926 4.550 0.005 0.000 0.336 219 Y C 0.220 176.142 175.900 0.036 0.000 1.067 219 Y CA -0.530 57.594 58.100 0.040 0.000 1.114 219 Y CB 2.102 40.585 38.460 0.039 0.000 1.208 219 Y HN 0.119 nan 8.280 nan 0.000 0.458 220 S N 0.758 116.576 115.700 0.197 0.000 2.627 220 S HA 0.870 5.343 4.470 0.005 0.000 0.283 220 S C 0.087 174.762 174.600 0.124 0.000 1.127 220 S CA -0.341 57.937 58.200 0.129 0.000 0.863 220 S CB 1.623 64.872 63.200 0.081 0.000 1.121 220 S HN 1.446 nan 8.310 nan 0.000 0.479 221 G N 1.713 110.565 108.800 0.087 0.000 2.574 221 G HA2 -0.266 3.697 3.960 0.005 0.000 0.286 221 G HA3 -0.266 3.697 3.960 0.005 0.000 0.286 221 G C -0.246 174.697 174.900 0.071 0.000 1.212 221 G CA 0.550 45.692 45.100 0.070 0.000 0.979 221 G HN 1.166 nan 8.290 nan 0.000 0.557 222 D N 1.234 121.673 120.400 0.066 0.000 2.671 222 D HA 0.350 4.993 4.640 0.005 0.000 0.228 222 D C 1.224 177.572 176.300 0.081 0.000 1.102 222 D CA 0.409 54.443 54.000 0.057 0.000 1.044 222 D CB -0.847 39.981 40.800 0.047 0.000 1.113 222 D HN 0.782 nan 8.370 nan 0.000 0.480 223 R N 1.230 121.786 120.500 0.093 0.000 3.251 223 R HA -0.197 4.146 4.340 0.005 0.000 0.249 223 R C -0.764 175.730 176.300 0.324 0.000 0.949 223 R CA 0.440 56.626 56.100 0.144 0.000 0.645 223 R CB -0.932 29.359 30.300 -0.016 0.000 1.065 223 R HN 0.331 nan 8.270 nan 0.000 0.452 224 Q N 1.195 121.170 119.800 0.292 0.000 2.322 224 Q HA 0.173 4.516 4.340 0.005 0.000 0.256 224 Q C -0.193 175.881 176.000 0.124 0.000 0.960 224 Q CA -0.608 55.313 55.803 0.196 0.000 0.934 224 Q CB 1.354 30.158 28.738 0.110 0.000 1.200 224 Q HN 0.281 nan 8.270 nan 0.000 0.435 225 L N 3.479 124.701 121.223 -0.001 0.000 2.367 225 L HA 0.102 4.445 4.340 0.005 0.000 0.275 225 L C 0.333 177.105 176.870 -0.163 0.000 1.129 225 L CA 0.034 54.676 54.840 -0.331 0.000 0.839 225 L CB 0.540 42.450 42.059 -0.247 0.000 1.133 225 L HN 0.538 nan 8.230 nan 0.000 0.453 226 E N 3.080 123.172 120.200 -0.179 0.000 2.376 226 E HA 0.087 4.440 4.350 0.005 0.000 0.266 226 E C -0.615 175.962 176.600 -0.039 0.000 1.009 226 E CA -0.190 56.171 56.400 -0.066 0.000 0.902 226 E CB 0.107 29.793 29.700 -0.024 0.000 0.972 226 E HN 0.658 nan 8.360 nan 0.000 0.439 227 N N 3.493 122.174 118.700 -0.032 0.000 2.508 227 N HA 0.063 4.806 4.740 0.005 0.000 0.264 227 N C -1.748 173.752 175.510 -0.016 0.000 1.216 227 N CA -1.126 51.902 53.050 -0.037 0.000 0.943 227 N CB 0.732 39.181 38.487 -0.065 0.000 1.113 227 N HN 0.554 nan 8.380 nan 0.000 0.447 228 P HA 0.132 nan 4.420 nan 0.000 0.259 228 P C -0.681 176.609 177.300 -0.017 0.000 1.530 228 P CA 0.105 63.185 63.100 -0.034 0.000 1.022 228 P CB 0.257 31.919 31.700 -0.064 0.000 1.514 229 L N 0.173 121.401 121.223 0.008 0.000 2.436 229 L HA 0.484 4.827 4.340 0.005 0.000 0.265 229 L C 1.138 178.018 176.870 0.016 0.000 1.168 229 L CA -0.398 54.447 54.840 0.008 0.000 0.815 229 L CB 0.633 42.676 42.059 -0.026 0.000 1.109 229 L HN -0.056 nan 8.230 nan 0.000 0.462 230 A N 1.555 124.415 122.820 0.066 0.000 2.592 230 A HA 0.699 5.022 4.320 0.005 0.000 0.290 230 A C 0.016 177.703 177.584 0.173 0.000 0.998 230 A CA 0.171 52.275 52.037 0.113 0.000 0.983 230 A CB 0.389 19.459 19.000 0.118 0.000 1.240 230 A HN 0.695 nan 8.150 nan 0.000 0.535 231 A N -0.626 122.261 122.820 0.112 0.000 2.498 231 A HA 0.636 4.959 4.320 0.005 0.000 0.298 231 A C 0.846 178.485 177.584 0.092 0.000 1.075 231 A CA 0.209 52.310 52.037 0.107 0.000 0.714 231 A CB 0.867 19.863 19.000 -0.007 0.000 1.299 231 A HN 1.181 nan 8.150 nan 0.000 0.407 232 V N -1.835 118.176 119.914 0.163 0.000 3.129 232 V HA 0.217 4.340 4.120 0.005 0.000 0.259 232 V C 0.353 176.574 176.094 0.211 0.000 1.116 232 V CA 1.275 63.743 62.300 0.280 0.000 1.127 232 V CB -0.979 31.026 31.823 0.304 0.000 0.742 232 V HN 0.714 nan 8.190 nan 0.000 0.474 233 Q N -0.096 119.744 119.800 0.067 0.000 2.377 233 Q HA 0.540 4.883 4.340 0.005 0.000 0.279 233 Q C -1.134 174.798 176.000 -0.114 0.000 1.049 233 Q CA -0.982 54.828 55.803 0.012 0.000 0.825 233 Q CB 2.360 31.114 28.738 0.028 0.000 1.401 233 Q HN 0.312 nan 8.270 nan 0.000 0.404 234 M N 1.430 120.960 119.600 -0.117 0.000 2.356 234 M HA 0.282 4.765 4.480 0.005 0.000 0.348 234 M C 0.758 176.908 176.300 -0.249 0.000 1.595 234 M CA 1.735 56.910 55.300 -0.207 0.000 1.095 234 M CB -0.648 31.854 32.600 -0.162 0.000 1.963 234 M HN 0.862 nan 8.290 nan 0.000 0.459 235 G N 3.856 112.161 108.800 -0.825 0.000 2.163 235 G HA2 -0.149 3.814 3.960 0.005 0.000 0.213 235 G HA3 -0.149 3.814 3.960 0.005 0.000 0.213 235 G C -0.286 174.083 174.900 -0.885 0.000 0.991 235 G CA 0.003 44.370 45.100 -1.221 0.000 0.653 235 G HN 0.683 nan 8.290 nan 0.000 0.518 236 L N 0.846 121.664 121.223 -0.675 0.000 2.334 236 L HA 0.510 4.853 4.340 0.005 0.000 0.272 236 L C 1.724 178.380 176.870 -0.357 0.000 1.020 236 L CA -1.430 53.199 54.840 -0.352 0.000 0.812 236 L CB 1.002 42.977 42.059 -0.141 0.000 1.264 236 L HN -0.152 nan 8.230 nan 0.000 0.439 237 I N 0.255 120.643 120.570 -0.304 0.000 2.235 237 I HA -0.167 4.006 4.170 0.005 0.000 0.241 237 I C 1.223 177.005 176.117 -0.558 0.000 1.085 237 I CA 2.105 63.080 61.300 -0.541 0.000 1.378 237 I CB -0.429 36.981 38.000 -0.983 0.000 1.076 237 I HN 0.647 nan 8.210 nan 0.000 0.415 238 Y N -0.625 119.702 120.300 0.044 0.000 3.274 238 Y HA 0.240 4.793 4.550 0.005 0.000 0.174 238 Y C 0.675 176.678 175.900 0.171 0.000 0.880 238 Y CA -0.375 57.803 58.100 0.129 0.000 1.793 238 Y CB 0.033 38.633 38.460 0.233 0.000 1.409 238 Y HN -0.155 nan 8.280 nan 0.000 0.368 239 V N -1.013 119.161 119.914 0.432 0.000 3.158 239 V HA 0.517 4.640 4.120 0.005 0.000 0.315 239 V C -0.725 175.518 176.094 0.248 0.000 1.148 239 V CA -1.149 61.340 62.300 0.316 0.000 1.042 239 V CB 1.723 33.742 31.823 0.327 0.000 1.101 239 V HN 0.320 nan 8.190 nan 0.000 0.448 240 N N 2.521 121.341 118.700 0.200 0.000 2.422 240 N HA 0.382 5.125 4.740 0.005 0.000 0.264 240 N C -1.569 174.057 175.510 0.195 0.000 1.063 240 N CA -1.963 51.189 53.050 0.170 0.000 0.959 240 N CB 1.635 40.202 38.487 0.134 0.000 1.087 240 N HN 0.594 nan 8.380 nan 0.000 0.483 241 P HA -0.071 nan 4.420 nan 0.000 0.225 241 P C 0.276 177.706 177.300 0.217 0.000 1.148 241 P CA 1.144 64.383 63.100 0.233 0.000 0.779 241 P CB 0.512 32.358 31.700 0.243 0.000 0.780 242 E N -0.400 119.916 120.200 0.194 0.000 2.371 242 E HA 0.252 4.605 4.350 0.005 0.000 0.194 242 E C 0.984 177.701 176.600 0.196 0.000 1.012 242 E CA 0.395 56.925 56.400 0.216 0.000 0.860 242 E CB 0.014 29.849 29.700 0.226 0.000 0.811 242 E HN 0.249 nan 8.360 nan 0.000 0.502 243 G N 1.349 110.248 108.800 0.165 0.000 2.355 243 G HA2 -0.098 3.865 3.960 0.005 0.000 0.619 243 G HA3 -0.098 3.865 3.960 0.005 0.000 0.619 243 G C -3.098 171.861 174.900 0.098 0.000 1.337 243 G CA -1.334 43.843 45.100 0.128 0.000 0.993 243 G HN -0.213 nan 8.290 nan 0.000 0.599 244 P HA 0.282 nan 4.420 nan 0.000 0.262 244 P C -0.146 177.166 177.300 0.019 0.000 1.199 244 P CA 0.680 63.798 63.100 0.031 0.000 0.763 244 P CB 0.334 32.029 31.700 -0.008 0.000 0.790 245 D N 3.303 123.718 120.400 0.024 0.000 2.792 245 D HA -0.208 4.435 4.640 0.005 0.000 0.231 245 D C 1.131 177.464 176.300 0.055 0.000 1.160 245 D CA 1.990 56.009 54.000 0.030 0.000 0.697 245 D CB -1.545 39.254 40.800 -0.001 0.000 1.070 245 D HN 0.810 nan 8.370 nan 0.000 0.426 246 G N -0.459 108.391 108.800 0.083 0.000 2.143 246 G HA2 -0.311 3.652 3.960 0.005 0.000 0.249 246 G HA3 -0.311 3.652 3.960 0.005 0.000 0.249 246 G C 0.006 174.981 174.900 0.126 0.000 0.981 246 G CA 0.088 45.267 45.100 0.132 0.000 0.665 246 G HN 0.403 nan 8.290 nan 0.000 0.528 247 N N 1.583 120.311 118.700 0.048 0.000 2.439 247 N HA 0.369 5.112 4.740 0.005 0.000 0.249 247 N C -2.472 173.014 175.510 -0.040 0.000 1.003 247 N CA -1.240 51.794 53.050 -0.026 0.000 0.942 247 N CB 1.952 40.431 38.487 -0.013 0.000 1.115 247 N HN 0.133 nan 8.380 nan 0.000 0.505 248 P HA 0.043 nan 4.420 nan 0.000 0.231 248 P C -0.742 176.644 177.300 0.143 0.000 1.756 248 P CA 0.012 63.103 63.100 -0.014 0.000 0.990 248 P CB -0.208 31.326 31.700 -0.276 0.000 1.973 249 D N 2.251 122.708 120.400 0.094 0.000 2.460 249 D HA 0.225 4.868 4.640 0.005 0.000 0.232 249 D C -1.815 174.518 176.300 0.056 0.000 1.079 249 D CA -2.568 51.474 54.000 0.070 0.000 0.864 249 D CB 1.570 42.386 40.800 0.027 0.000 1.048 249 D HN -0.021 nan 8.370 nan 0.000 0.523 250 P HA -0.077 nan 4.420 nan 0.000 0.223 250 P C 1.428 178.760 177.300 0.053 0.000 1.151 250 P CA 0.322 63.425 63.100 0.006 0.000 0.787 250 P CB 0.553 32.195 31.700 -0.097 0.000 0.788 251 V N 0.137 120.074 119.914 0.038 0.000 2.407 251 V HA -0.131 3.992 4.120 0.005 0.000 0.245 251 V C 2.483 178.602 176.094 0.041 0.000 1.041 251 V CA 2.040 64.371 62.300 0.052 0.000 1.040 251 V CB -1.602 30.242 31.823 0.035 0.000 0.671 251 V HN 0.086 nan 8.190 nan 0.000 0.455 252 A N 0.126 122.966 122.820 0.033 0.000 1.930 252 A HA -0.033 4.290 4.320 0.005 0.000 0.217 252 A C 2.415 180.030 177.584 0.052 0.000 1.175 252 A CA 1.783 53.838 52.037 0.030 0.000 0.627 252 A CB -0.696 18.314 19.000 0.016 0.000 0.815 252 A HN 0.536 nan 8.150 nan 0.000 0.443 253 A N 0.124 122.986 122.820 0.069 0.000 1.908 253 A HA 0.083 4.406 4.320 0.005 0.000 0.218 253 A C 2.488 180.144 177.584 0.121 0.000 1.181 253 A CA 2.186 54.282 52.037 0.099 0.000 0.627 253 A CB -1.021 18.042 19.000 0.106 0.000 0.818 253 A HN 1.094 nan 8.150 nan 0.000 0.445 254 A N -0.711 122.183 122.820 0.123 0.000 1.933 254 A HA -0.183 4.140 4.320 0.005 0.000 0.218 254 A C 2.273 179.933 177.584 0.126 0.000 1.175 254 A CA 1.642 53.788 52.037 0.181 0.000 0.628 254 A CB -0.515 18.576 19.000 0.150 0.000 0.814 254 A HN 0.448 nan 8.150 nan 0.000 0.444 255 R N -0.065 120.478 120.500 0.072 0.000 2.081 255 R HA -0.154 4.189 4.340 0.005 0.000 0.235 255 R C 1.300 177.668 176.300 0.114 0.000 1.131 255 R CA 1.962 58.098 56.100 0.060 0.000 0.960 255 R CB -0.575 29.750 30.300 0.040 0.000 0.856 255 R HN 0.471 nan 8.270 nan 0.000 0.436 256 D N 0.428 120.908 120.400 0.133 0.000 2.117 256 D HA -0.120 4.523 4.640 0.005 0.000 0.197 256 D C 1.998 178.437 176.300 0.233 0.000 0.987 256 D CA 1.122 55.233 54.000 0.186 0.000 0.829 256 D CB -0.206 40.700 40.800 0.177 0.000 0.961 256 D HN 0.279 nan 8.370 nan 0.000 0.460 257 I N 0.399 121.104 120.570 0.224 0.000 2.179 257 I HA -0.251 3.922 4.170 0.005 0.000 0.242 257 I C 2.588 178.862 176.117 0.262 0.000 1.088 257 I CA 0.929 62.374 61.300 0.243 0.000 1.357 257 I CB -0.187 37.874 38.000 0.101 0.000 1.051 257 I HN -0.067 nan 8.210 nan 0.000 0.409 258 R N 0.903 121.544 120.500 0.234 0.000 2.083 258 R HA -0.261 4.082 4.340 0.005 0.000 0.237 258 R C 2.072 178.488 176.300 0.194 0.000 1.137 258 R CA 2.407 58.630 56.100 0.206 0.000 0.951 258 R CB -0.304 30.041 30.300 0.075 0.000 0.851 258 R HN 0.297 nan 8.270 nan 0.000 0.434 259 D N -0.678 119.829 120.400 0.179 0.000 2.097 259 D HA -0.130 4.513 4.640 0.005 0.000 0.197 259 D C 1.836 178.246 176.300 0.185 0.000 0.984 259 D CA 2.193 56.292 54.000 0.165 0.000 0.826 259 D CB -0.193 40.707 40.800 0.167 0.000 0.973 259 D HN 0.429 nan 8.370 nan 0.000 0.460 260 T N -1.957 112.738 114.554 0.234 0.000 2.708 260 T HA -0.151 4.202 4.350 0.005 0.000 0.266 260 T C 2.102 176.879 174.700 0.129 0.000 1.037 260 T CA 0.911 63.147 62.100 0.227 0.000 1.146 260 T CB -1.020 68.041 68.868 0.322 0.000 0.865 260 T HN 0.064 nan 8.240 nan 0.000 0.435 261 F N 2.356 122.271 119.950 -0.059 0.000 2.171 261 F HA 0.219 4.749 4.527 0.004 0.000 0.300 261 F C 2.934 178.732 175.800 -0.003 0.000 1.090 261 F CA 0.565 58.477 58.000 -0.148 0.000 1.293 261 F CB -0.880 38.017 39.000 -0.171 0.000 1.013 261 F HN 0.273 nan 8.300 nan 0.000 0.486 262 A N 0.052 122.993 122.820 0.201 0.000 1.933 262 A HA -0.188 4.135 4.320 0.005 0.000 0.218 262 A C 2.202 179.852 177.584 0.110 0.000 1.175 262 A CA 1.417 53.541 52.037 0.145 0.000 0.628 262 A CB -0.613 18.463 19.000 0.126 0.000 0.814 262 A HN 0.329 nan 8.150 nan 0.000 0.444 263 R N -0.948 119.611 120.500 0.098 0.000 2.316 263 R HA 0.142 4.485 4.340 0.005 0.000 0.202 263 R C 0.821 177.150 176.300 0.048 0.000 1.029 263 R CA 0.776 56.913 56.100 0.060 0.000 1.018 263 R CB -0.126 30.212 30.300 0.062 0.000 0.888 263 R HN 0.510 nan 8.270 nan 0.000 0.471 264 M N -0.570 119.088 119.600 0.097 0.000 2.576 264 M HA 0.287 4.770 4.480 0.005 0.000 0.322 264 M C 0.223 176.664 176.300 0.235 0.000 1.184 264 M CA -0.132 55.285 55.300 0.194 0.000 0.967 264 M CB 1.239 33.970 32.600 0.219 0.000 1.372 264 M HN 0.136 nan 8.290 nan 0.000 0.509 265 A N 0.474 123.398 122.820 0.173 0.000 2.945 265 A HA -0.140 4.183 4.320 0.005 0.000 0.251 265 A C -0.027 177.620 177.584 0.106 0.000 1.355 265 A CA 0.805 52.933 52.037 0.151 0.000 0.905 265 A CB -1.464 17.646 19.000 0.184 0.000 1.104 265 A HN 0.472 nan 8.150 nan 0.000 0.733 266 M N 0.959 120.639 119.600 0.134 0.000 2.243 266 M HA 0.404 4.887 4.480 0.005 0.000 0.324 266 M C 0.380 176.783 176.300 0.171 0.000 1.031 266 M CA -0.873 54.522 55.300 0.159 0.000 0.949 266 M CB 1.242 33.996 32.600 0.256 0.000 1.615 266 M HN 0.678 nan 8.290 nan 0.000 0.430 267 N N 1.346 120.132 118.700 0.144 0.000 2.431 267 N HA 0.219 4.962 4.740 0.005 0.000 0.289 267 N C 0.177 175.775 175.510 0.146 0.000 1.277 267 N CA -0.247 52.885 53.050 0.136 0.000 0.972 267 N CB 0.399 38.956 38.487 0.117 0.000 1.143 267 N HN 0.356 nan 8.380 nan 0.000 0.578 268 D N -0.592 119.897 120.400 0.149 0.000 2.104 268 D HA -0.191 4.452 4.640 0.005 0.000 0.194 268 D C 1.411 177.800 176.300 0.148 0.000 0.994 268 D CA 1.493 55.622 54.000 0.216 0.000 0.830 268 D CB -0.235 40.666 40.800 0.169 0.000 0.959 268 D HN 0.816 nan 8.370 nan 0.000 0.452 269 E N 0.463 120.737 120.200 0.123 0.000 2.077 269 E HA -0.195 4.158 4.350 0.005 0.000 0.193 269 E C 1.754 178.494 176.600 0.234 0.000 0.989 269 E CA 1.040 57.532 56.400 0.154 0.000 0.800 269 E CB 0.093 29.896 29.700 0.172 0.000 0.746 269 E HN 0.312 nan 8.360 nan 0.000 0.452 270 E N -0.418 119.891 120.200 0.182 0.000 2.110 270 E HA -0.141 4.212 4.350 0.005 0.000 0.193 270 E C 2.095 178.765 176.600 0.116 0.000 0.988 270 E CA 1.582 58.088 56.400 0.177 0.000 0.804 270 E CB -0.006 29.781 29.700 0.145 0.000 0.745 270 E HN 0.243 nan 8.360 nan 0.000 0.458 271 T N 0.722 115.286 114.554 0.017 0.000 2.674 271 T HA -0.127 4.226 4.350 0.005 0.000 0.265 271 T C 2.127 176.593 174.700 -0.390 0.000 1.039 271 T CA 1.143 63.076 62.100 -0.279 0.000 1.150 271 T CB -0.253 68.383 68.868 -0.388 0.000 0.864 271 T HN -0.026 nan 8.240 nan 0.000 0.427 272 V N 1.794 121.550 119.914 -0.264 0.000 2.343 272 V HA -0.181 3.942 4.120 0.005 0.000 0.247 272 V C 2.901 179.023 176.094 0.047 0.000 1.051 272 V CA 1.731 63.913 62.300 -0.197 0.000 1.036 272 V CB -1.252 30.526 31.823 -0.074 0.000 0.654 272 V HN 0.536 nan 8.190 nan 0.000 0.451 273 A N -0.316 122.687 122.820 0.306 0.000 1.908 273 A HA -0.181 4.142 4.320 0.005 0.000 0.218 273 A C 2.229 179.836 177.584 0.038 0.000 1.181 273 A CA 1.937 54.182 52.037 0.347 0.000 0.627 273 A CB -0.547 18.685 19.000 0.387 0.000 0.818 273 A HN 0.502 nan 8.150 nan 0.000 0.445 274 L N -0.793 120.434 121.223 0.007 0.000 2.056 274 L HA -0.153 4.190 4.340 0.005 0.000 0.207 274 L C 2.504 179.095 176.870 -0.466 0.000 1.078 274 L CA 1.267 56.063 54.840 -0.073 0.000 0.749 274 L CB -0.437 41.645 42.059 0.039 0.000 0.901 274 L HN 0.384 nan 8.230 nan 0.000 0.433 275 I N -0.399 119.824 120.570 -0.578 0.000 2.233 275 I HA -0.228 3.945 4.170 0.005 0.000 0.243 275 I C 2.759 178.216 176.117 -1.100 0.000 1.093 275 I CA 1.129 61.923 61.300 -0.843 0.000 1.380 275 I CB -0.442 37.101 38.000 -0.762 0.000 1.067 275 I HN 0.163 nan 8.210 nan 0.000 0.413 276 A N 0.881 123.077 122.820 -1.041 0.000 1.930 276 A HA -0.069 4.254 4.320 0.005 0.000 0.217 276 A C 2.404 179.316 177.584 -1.120 0.000 1.175 276 A CA 1.744 52.816 52.037 -1.607 0.000 0.627 276 A CB -1.351 16.819 19.000 -1.384 0.000 0.815 276 A HN 0.457 nan 8.150 nan 0.000 0.443 277 G N -0.408 107.851 108.800 -0.902 0.000 2.433 277 G HA2 0.037 4.000 3.960 0.005 0.000 0.216 277 G HA3 0.037 4.000 3.960 0.005 0.000 0.216 277 G C 1.568 175.845 174.900 -1.038 0.000 1.186 277 G CA 1.241 45.431 45.100 -1.517 0.000 0.779 277 G HN 0.678 nan 8.290 nan 0.000 0.543 278 G N -0.174 108.132 108.800 -0.823 0.000 2.446 278 G HA2 -0.208 3.755 3.960 0.005 0.000 0.217 278 G HA3 -0.208 3.755 3.960 0.005 0.000 0.217 278 G C 1.447 176.191 174.900 -0.260 0.000 1.168 278 G CA 0.880 45.795 45.100 -0.309 0.000 0.771 278 G HN 0.654 nan 8.290 nan 0.000 0.551 279 H N -0.133 118.404 119.070 -0.888 0.000 2.543 279 H HA 0.111 4.670 4.556 0.005 0.000 0.269 279 H C 2.002 176.794 175.328 -0.893 0.000 1.005 279 H CA 0.173 55.389 56.048 -1.386 0.000 1.146 279 H CB 0.370 29.002 29.762 -1.883 0.000 1.353 279 H HN 0.254 nan 8.280 nan 0.000 0.595 280 T N 0.363 114.558 114.554 -0.597 0.000 2.995 280 T HA -0.049 4.304 4.350 0.005 0.000 0.269 280 T C 0.121 174.489 174.700 -0.553 0.000 1.091 280 T CA 0.884 62.642 62.100 -0.571 0.000 1.128 280 T CB -0.028 68.325 68.868 -0.858 0.000 0.891 280 T HN 0.094 nan 8.240 nan 0.000 0.492 281 F N 0.145 120.069 119.950 -0.044 0.000 2.508 281 F HA 0.584 5.114 4.527 0.005 0.000 0.325 281 F C 1.202 177.115 175.800 0.188 0.000 1.090 281 F CA -0.520 57.501 58.000 0.035 0.000 0.945 281 F CB 1.486 40.491 39.000 0.009 0.000 1.156 281 F HN 0.225 nan 8.300 nan 0.000 0.463 282 G N 2.540 111.537 108.800 0.330 0.000 2.553 282 G HA2 -0.086 3.877 3.960 0.005 0.000 0.242 282 G HA3 -0.086 3.877 3.960 0.005 0.000 0.242 282 G C -1.078 174.045 174.900 0.371 0.000 1.277 282 G CA -0.022 45.290 45.100 0.354 0.000 0.910 282 G HN 1.044 nan 8.290 nan 0.000 0.576 283 K N -1.787 118.784 120.400 0.284 0.000 2.578 283 K HA 0.726 5.049 4.320 0.005 0.000 0.287 283 K C -0.077 176.352 176.600 -0.285 0.000 1.010 283 K CA -0.160 56.034 56.287 -0.154 0.000 0.889 283 K CB 1.283 33.706 32.500 -0.128 0.000 1.514 283 K HN 1.393 nan 8.250 nan 0.000 0.424 284 T N -1.395 112.848 114.554 -0.518 0.000 2.862 284 T HA 0.453 4.806 4.350 0.005 0.000 0.276 284 T C -0.685 173.642 174.700 -0.623 0.000 0.974 284 T CA -0.383 61.509 62.100 -0.346 0.000 0.966 284 T CB 0.554 69.287 68.868 -0.226 0.000 1.072 284 T HN 0.663 nan 8.240 nan 0.000 0.538 285 H N -1.285 117.771 119.070 -0.024 0.000 2.924 285 H HA 0.613 5.172 4.556 0.005 0.000 0.333 285 H C 0.280 175.584 175.328 -0.039 0.000 0.979 285 H CA -0.580 55.457 56.048 -0.017 0.000 1.326 285 H CB 1.685 31.475 29.762 0.047 0.000 1.600 285 H HN 1.073 nan 8.280 nan 0.000 0.520 286 G N 1.276 110.079 108.800 0.004 0.000 4.775 286 G HA2 0.378 4.341 3.960 0.005 0.000 0.222 286 G HA3 0.378 4.341 3.960 0.005 0.000 0.222 286 G C 0.713 175.546 174.900 -0.111 0.000 0.974 286 G CA 0.118 45.185 45.100 -0.055 0.000 0.614 286 G HN 0.726 nan 8.290 nan 0.000 0.427 287 A N -0.374 122.387 122.820 -0.099 0.000 2.119 287 A HA 0.636 4.959 4.320 0.005 0.000 0.217 287 A C 1.384 178.730 177.584 -0.396 0.000 1.153 287 A CA 1.409 53.383 52.037 -0.104 0.000 0.692 287 A CB 0.150 19.201 19.000 0.085 0.000 0.799 287 A HN 1.453 nan 8.150 nan 0.000 0.458 288 G N -2.125 106.275 108.800 -0.667 0.000 2.645 288 G HA2 0.505 4.468 3.960 0.005 0.000 0.292 288 G HA3 0.505 4.468 3.960 0.005 0.000 0.292 288 G C -3.521 171.067 174.900 -0.520 0.000 1.415 288 G CA -1.180 43.302 45.100 -1.031 0.000 0.785 288 G HN -0.107 nan 8.290 nan 0.000 0.483 289 P HA 0.245 nan 4.420 nan 0.000 0.266 289 P C 0.787 178.015 177.300 -0.120 0.000 1.195 289 P CA 0.563 63.557 63.100 -0.178 0.000 0.768 289 P CB 1.138 32.773 31.700 -0.108 0.000 0.838 290 A N 2.821 125.597 122.820 -0.073 0.000 2.067 290 A HA -0.138 4.185 4.320 0.005 0.000 0.219 290 A C 2.045 179.632 177.584 0.005 0.000 1.158 290 A CA 1.733 53.752 52.037 -0.029 0.000 0.661 290 A CB -1.449 17.538 19.000 -0.021 0.000 0.801 290 A HN 0.596 nan 8.150 nan 0.000 0.452 291 S N 0.612 116.312 115.700 -0.000 0.000 2.442 291 S HA -0.169 4.304 4.470 0.005 0.000 0.236 291 S C 1.500 176.124 174.600 0.040 0.000 1.007 291 S CA 1.171 59.383 58.200 0.021 0.000 0.965 291 S CB -0.671 62.536 63.200 0.013 0.000 0.773 291 S HN 0.630 nan 8.310 nan 0.000 0.504 292 N N 1.210 119.936 118.700 0.044 0.000 2.453 292 N HA 0.033 4.776 4.740 0.005 0.000 0.183 292 N C -0.056 175.513 175.510 0.098 0.000 1.041 292 N CA 0.528 53.628 53.050 0.085 0.000 0.900 292 N CB -0.100 38.464 38.487 0.128 0.000 0.961 292 N HN 0.322 nan 8.380 nan 0.000 0.443 293 V N 0.906 120.877 119.914 0.095 0.000 2.465 293 V HA 0.390 4.513 4.120 0.005 0.000 0.279 293 V C 1.071 177.241 176.094 0.127 0.000 1.045 293 V CA -0.665 61.717 62.300 0.137 0.000 0.938 293 V CB 1.193 33.111 31.823 0.158 0.000 0.986 293 V HN 0.089 nan 8.190 nan 0.000 0.467 294 G N 2.810 111.680 108.800 0.116 0.000 2.543 294 G HA2 0.597 4.560 3.960 0.005 0.000 0.267 294 G HA3 0.597 4.560 3.960 0.005 0.000 0.267 294 G C 0.141 175.032 174.900 -0.015 0.000 1.406 294 G CA -0.233 44.896 45.100 0.048 0.000 1.048 294 G HN 1.068 nan 8.290 nan 0.000 0.548 295 A N 0.230 122.995 122.820 -0.092 0.000 2.540 295 A HA 0.387 4.710 4.320 0.005 0.000 0.239 295 A C 0.996 178.302 177.584 -0.462 0.000 1.061 295 A CA -0.060 51.863 52.037 -0.190 0.000 0.758 295 A CB -0.107 18.804 19.000 -0.149 0.000 0.991 295 A HN 0.719 nan 8.150 nan 0.000 0.502 296 E N 3.161 122.982 120.200 -0.631 0.000 2.438 296 E HA -0.010 4.343 4.350 0.005 0.000 0.261 296 E C -2.113 173.981 176.600 -0.843 0.000 1.103 296 E CA -0.925 54.756 56.400 -1.198 0.000 0.959 296 E CB -0.406 28.838 29.700 -0.760 0.000 0.958 296 E HN 0.353 nan 8.360 nan 0.000 0.447 297 P HA -0.190 nan 4.420 nan 0.000 0.216 297 P C 0.954 178.056 177.300 -0.331 0.000 1.154 297 P CA 1.548 64.322 63.100 -0.544 0.000 0.865 297 P CB 0.176 31.589 31.700 -0.479 0.000 0.789 298 E N -1.326 118.710 120.200 -0.272 0.000 2.418 298 E HA 0.012 4.365 4.350 0.005 0.000 0.197 298 E C 1.652 178.183 176.600 -0.116 0.000 1.026 298 E CA 0.811 57.123 56.400 -0.147 0.000 0.862 298 E CB -0.286 29.370 29.700 -0.072 0.000 0.799 298 E HN 0.221 nan 8.360 nan 0.000 0.518 299 A N 0.592 123.321 122.820 -0.153 0.000 2.303 299 A HA 0.437 4.760 4.320 0.005 0.000 0.217 299 A C 1.220 178.731 177.584 -0.123 0.000 1.205 299 A CA 0.315 52.287 52.037 -0.108 0.000 0.875 299 A CB 0.251 19.199 19.000 -0.087 0.000 0.910 299 A HN 0.140 nan 8.150 nan 0.000 0.501 300 A N 0.052 122.772 122.820 -0.168 0.000 2.313 300 A HA 0.544 4.867 4.320 0.005 0.000 0.261 300 A C 0.978 178.496 177.584 -0.109 0.000 1.090 300 A CA 0.172 52.119 52.037 -0.150 0.000 0.807 300 A CB -0.386 18.498 19.000 -0.194 0.000 1.055 300 A HN 0.873 nan 8.150 nan 0.000 0.492 301 G N -0.622 108.125 108.800 -0.088 0.000 2.554 301 G HA2 0.305 4.268 3.960 0.005 0.000 0.238 301 G HA3 0.305 4.268 3.960 0.005 0.000 0.238 301 G C 0.866 175.719 174.900 -0.077 0.000 1.259 301 G CA 0.015 45.073 45.100 -0.070 0.000 0.843 301 G HN 0.823 nan 8.290 nan 0.000 0.582 302 I N 0.468 120.999 120.570 -0.066 0.000 2.315 302 I HA -0.196 3.977 4.170 0.005 0.000 0.251 302 I C 2.819 178.893 176.117 -0.072 0.000 1.125 302 I CA 1.817 63.077 61.300 -0.067 0.000 1.392 302 I CB 0.070 38.038 38.000 -0.053 0.000 1.065 302 I HN 0.776 nan 8.210 nan 0.000 0.424 303 E N 1.253 121.415 120.200 -0.064 0.000 2.338 303 E HA -0.177 4.176 4.350 0.005 0.000 0.197 303 E C 1.810 178.363 176.600 -0.078 0.000 1.007 303 E CA 1.159 57.521 56.400 -0.063 0.000 0.849 303 E CB -0.361 29.311 29.700 -0.047 0.000 0.774 303 E HN 0.528 nan 8.360 nan 0.000 0.506 304 A N 0.976 123.742 122.820 -0.090 0.000 2.168 304 A HA -0.099 4.224 4.320 0.005 0.000 0.215 304 A C 0.852 178.353 177.584 -0.139 0.000 1.152 304 A CA 0.492 52.462 52.037 -0.110 0.000 0.716 304 A CB -0.232 18.696 19.000 -0.119 0.000 0.794 304 A HN 0.183 nan 8.150 nan 0.000 0.465 305 Q N -2.273 117.448 119.800 -0.132 0.000 2.439 305 Q HA -0.257 4.086 4.340 0.005 0.000 0.325 305 Q C 0.940 176.832 176.000 -0.180 0.000 1.372 305 Q CA 1.274 56.988 55.803 -0.148 0.000 0.909 305 Q CB -2.310 26.338 28.738 -0.150 0.000 1.167 305 Q HN 1.733 nan 8.270 nan 0.000 0.418 306 G N -1.615 107.080 108.800 -0.176 0.000 2.175 306 G HA2 -0.290 3.673 3.960 0.005 0.000 0.244 306 G HA3 -0.290 3.673 3.960 0.005 0.000 0.244 306 G C 0.200 174.971 174.900 -0.215 0.000 0.982 306 G CA 0.308 45.289 45.100 -0.198 0.000 0.641 306 G HN 0.322 nan 8.290 nan 0.000 0.527 307 L N -0.080 121.020 121.223 -0.204 0.000 2.365 307 L HA 0.838 5.181 4.340 0.005 0.000 0.267 307 L C 0.970 177.705 176.870 -0.226 0.000 1.033 307 L CA -0.382 54.342 54.840 -0.193 0.000 0.802 307 L CB 1.699 43.656 42.059 -0.169 0.000 1.267 307 L HN 0.306 nan 8.230 nan 0.000 0.457 308 G N -2.185 106.479 108.800 -0.226 0.000 2.788 308 G HA2 0.409 4.372 3.960 0.005 0.000 0.293 308 G HA3 0.409 4.372 3.960 0.005 0.000 0.293 308 G C -1.402 173.442 174.900 -0.092 0.000 1.392 308 G CA -0.453 44.414 45.100 -0.388 0.000 0.810 308 G HN 0.705 nan 8.290 nan 0.000 0.508 309 W N -0.078 121.174 121.300 -0.079 0.000 5.121 309 W HA -0.166 4.497 4.660 0.005 0.000 0.372 309 W C 0.715 177.229 176.519 -0.008 0.000 1.394 309 W CA 0.744 58.058 57.345 -0.052 0.000 0.885 309 W CB -1.135 28.280 29.460 -0.074 0.000 2.520 309 W HN 0.584 nan 8.180 nan 0.000 1.455 310 K N 1.640 122.117 120.400 0.128 0.000 2.472 310 K HA 0.178 4.501 4.320 0.005 0.000 0.280 310 K C 0.585 177.272 176.600 0.146 0.000 1.028 310 K CA 0.510 56.872 56.287 0.125 0.000 1.045 310 K CB 0.653 33.188 32.500 0.059 0.000 0.902 310 K HN -0.020 nan 8.250 nan 0.000 0.478 311 S N 2.904 118.710 115.700 0.176 0.000 2.451 311 S HA 0.454 4.927 4.470 0.005 0.000 0.301 311 S C 0.407 175.091 174.600 0.140 0.000 1.116 311 S CA -0.467 57.835 58.200 0.170 0.000 1.093 311 S CB 1.558 64.884 63.200 0.210 0.000 1.017 311 S HN 0.662 nan 8.310 nan 0.000 0.482 312 A N 4.183 127.079 122.820 0.127 0.000 2.251 312 A HA 0.212 4.535 4.320 0.005 0.000 0.209 312 A C 0.157 177.812 177.584 0.117 0.000 1.187 312 A CA -0.020 52.076 52.037 0.098 0.000 0.823 312 A CB -0.385 18.662 19.000 0.078 0.000 0.846 312 A HN 0.840 nan 8.150 nan 0.000 0.486 313 Y N 2.250 122.564 120.300 0.024 0.000 2.539 313 Y HA 0.354 4.907 4.550 0.005 0.000 0.352 313 Y C 0.999 176.893 175.900 -0.009 0.000 1.004 313 Y CA -0.474 57.630 58.100 0.007 0.000 1.278 313 Y CB -0.454 38.010 38.460 0.007 0.000 1.136 313 Y HN 0.556 nan 8.280 nan 0.000 0.528 314 R N 0.433 120.658 120.500 -0.458 0.000 3.853 314 R HA -0.335 4.008 4.340 0.005 0.000 0.440 314 R C 1.600 177.782 176.300 -0.197 0.000 0.241 314 R CA 2.386 58.238 56.100 -0.413 0.000 1.395 314 R CB -1.715 28.191 30.300 -0.655 0.000 0.984 314 R HN 0.744 nan 8.270 nan 0.000 0.570 315 T N -0.709 113.737 114.554 -0.180 0.000 3.072 315 T HA 0.144 4.497 4.350 0.005 0.000 0.266 315 T C 1.439 176.114 174.700 -0.041 0.000 1.127 315 T CA 1.410 63.446 62.100 -0.107 0.000 1.107 315 T CB 0.046 68.829 68.868 -0.142 0.000 0.910 315 T HN 1.297 nan 8.240 nan 0.000 0.513 316 G N 1.922 110.715 108.800 -0.011 0.000 2.148 316 G HA2 -0.268 3.695 3.960 0.005 0.000 0.254 316 G HA3 -0.268 3.695 3.960 0.005 0.000 0.254 316 G C -0.071 174.892 174.900 0.106 0.000 0.981 316 G CA 0.637 45.796 45.100 0.097 0.000 0.670 316 G HN 1.058 nan 8.290 nan 0.000 0.528 317 K N -2.411 117.933 120.400 -0.094 0.000 2.615 317 K HA 0.630 4.953 4.320 0.005 0.000 0.291 317 K C 1.095 177.345 176.600 -0.583 0.000 1.017 317 K CA -0.103 55.937 56.287 -0.413 0.000 0.882 317 K CB 0.976 33.322 32.500 -0.256 0.000 1.522 317 K HN 1.729 nan 8.250 nan 0.000 0.412 318 G N 0.929 109.204 108.800 -0.874 0.000 2.634 318 G HA2 -0.460 3.503 3.960 0.005 0.000 0.318 318 G HA3 -0.460 3.503 3.960 0.005 0.000 0.318 318 G C 1.087 175.445 174.900 -0.903 0.000 1.207 318 G CA 1.770 46.299 45.100 -0.952 0.000 0.987 318 G HN 1.357 nan 8.290 nan 0.000 0.547 319 A N -0.668 121.374 122.820 -1.297 0.000 2.070 319 A HA 0.143 4.466 4.320 0.005 0.000 0.220 319 A C 1.748 179.196 177.584 -0.227 0.000 1.159 319 A CA 2.415 54.090 52.037 -0.604 0.000 0.656 319 A CB -0.260 18.436 19.000 -0.506 0.000 0.800 319 A HN 0.578 nan 8.150 nan 0.000 0.453 320 D N -0.216 120.049 120.400 -0.224 0.000 2.363 320 D HA 0.334 4.977 4.640 0.005 0.000 0.214 320 D C 0.641 176.991 176.300 0.084 0.000 1.093 320 D CA 0.526 54.532 54.000 0.011 0.000 0.837 320 D CB -0.003 40.758 40.800 -0.064 0.000 0.948 320 D HN 0.405 nan 8.370 nan 0.000 0.507 321 A N 0.936 123.729 122.820 -0.044 0.000 2.498 321 A HA 0.327 4.650 4.320 0.005 0.000 0.239 321 A C 0.210 177.872 177.584 0.130 0.000 1.068 321 A CA 0.302 52.341 52.037 0.004 0.000 0.766 321 A CB 0.099 19.001 19.000 -0.164 0.000 1.003 321 A HN 0.183 nan 8.150 nan 0.000 0.497 322 I N 2.515 123.179 120.570 0.157 0.000 2.468 322 I HA 0.309 4.482 4.170 0.005 0.000 0.285 322 I C 0.481 176.655 176.117 0.095 0.000 1.039 322 I CA -0.226 61.136 61.300 0.104 0.000 1.074 322 I CB 2.275 40.301 38.000 0.043 0.000 1.228 322 I HN 0.785 nan 8.210 nan 0.000 0.436 323 T N 1.275 115.875 114.554 0.077 0.000 3.447 323 T HA -0.018 4.335 4.350 0.005 0.000 0.218 323 T C 1.572 176.235 174.700 -0.062 0.000 0.972 323 T CA 0.800 62.885 62.100 -0.025 0.000 1.264 323 T CB 0.014 68.910 68.868 0.046 0.000 1.284 323 T HN 0.620 nan 8.240 nan 0.000 0.361 324 S N 0.535 116.242 115.700 0.013 0.000 2.470 324 S HA 0.354 4.827 4.470 0.005 0.000 0.225 324 S C 1.931 176.528 174.600 -0.006 0.000 1.006 324 S CA 1.032 59.235 58.200 0.006 0.000 0.934 324 S CB -0.140 63.096 63.200 0.061 0.000 0.778 324 S HN 1.048 nan 8.310 nan 0.000 0.517 325 G N 0.606 109.399 108.800 -0.012 0.000 2.195 325 G HA2 -0.208 3.755 3.960 0.005 0.000 0.246 325 G HA3 -0.208 3.755 3.960 0.005 0.000 0.246 325 G C -0.105 174.764 174.900 -0.052 0.000 0.984 325 G CA 0.202 45.277 45.100 -0.041 0.000 0.633 325 G HN 0.518 nan 8.290 nan 0.000 0.525 326 L N 0.286 121.488 121.223 -0.035 0.000 2.357 326 L HA 0.734 5.077 4.340 0.005 0.000 0.273 326 L C 0.305 177.108 176.870 -0.113 0.000 1.080 326 L CA -0.745 54.060 54.840 -0.059 0.000 0.803 326 L CB 1.633 43.679 42.059 -0.021 0.000 1.174 326 L HN 0.102 nan 8.230 nan 0.000 0.443 327 E N 2.204 122.313 120.200 -0.151 0.000 2.593 327 E HA 0.463 4.816 4.350 0.005 0.000 0.232 327 E C -1.702 174.734 176.600 -0.273 0.000 1.026 327 E CA -0.209 56.064 56.400 -0.212 0.000 0.772 327 E CB 1.009 30.604 29.700 -0.175 0.000 1.310 327 E HN 0.227 nan 8.360 nan 0.000 0.413 328 V N 2.800 122.476 119.914 -0.395 0.000 2.709 328 V HA 0.606 4.729 4.120 0.005 0.000 0.308 328 V C -0.464 175.165 176.094 -0.776 0.000 1.062 328 V CA -0.724 61.249 62.300 -0.545 0.000 0.901 328 V CB 2.439 33.903 31.823 -0.599 0.000 1.003 328 V HN 0.567 nan 8.190 nan 0.000 0.425 329 T N 3.837 118.018 114.554 -0.622 0.000 2.881 329 T HA 0.325 4.678 4.350 0.005 0.000 0.291 329 T C 0.315 174.806 174.700 -0.349 0.000 0.990 329 T CA -0.429 61.375 62.100 -0.494 0.000 0.976 329 T CB 1.175 69.954 68.868 -0.148 0.000 0.970 329 T HN 0.725 nan 8.240 nan 0.000 0.438 330 W N 2.430 123.709 121.300 -0.035 0.000 2.523 330 W HA 0.058 4.722 4.660 0.006 0.000 0.278 330 W C 1.356 177.852 176.519 -0.038 0.000 1.236 330 W CA 0.372 57.701 57.345 -0.028 0.000 1.306 330 W CB -0.217 29.279 29.460 0.060 0.000 1.101 330 W HN 0.617 nan 8.180 nan 0.000 0.577 331 T N -3.513 111.141 114.554 0.167 0.000 2.907 331 T HA 0.289 4.642 4.350 0.005 0.000 0.290 331 T C 0.988 175.684 174.700 -0.007 0.000 1.066 331 T CA 0.040 62.171 62.100 0.051 0.000 1.012 331 T CB 2.208 71.058 68.868 -0.028 0.000 1.184 331 T HN -0.065 nan 8.240 nan 0.000 0.522 332 T N -1.679 112.867 114.554 -0.014 0.000 3.085 332 T HA 0.117 4.470 4.350 0.005 0.000 0.263 332 T C 1.001 175.661 174.700 -0.067 0.000 1.127 332 T CA 0.855 62.944 62.100 -0.019 0.000 1.103 332 T CB -0.740 68.130 68.868 0.004 0.000 0.921 332 T HN 1.027 nan 8.240 nan 0.000 0.510 333 T N -0.937 113.549 114.554 -0.113 0.000 3.410 333 T HA 0.481 4.834 4.350 0.005 0.000 0.328 333 T C -2.589 171.979 174.700 -0.219 0.000 1.567 333 T CA -1.494 60.515 62.100 -0.152 0.000 1.626 333 T CB 1.429 70.231 68.868 -0.110 0.000 0.939 333 T HN -0.096 nan 8.240 nan 0.000 0.656 334 P HA -0.049 nan 4.420 nan 0.000 0.223 334 P C 1.375 178.542 177.300 -0.222 0.000 1.144 334 P CA 1.013 63.876 63.100 -0.395 0.000 0.783 334 P CB -0.049 31.072 31.700 -0.966 0.000 0.771 335 T N -5.735 108.684 114.554 -0.225 0.000 3.134 335 T HA 0.272 4.625 4.350 0.005 0.000 0.260 335 T C 0.347 175.036 174.700 -0.018 0.000 1.027 335 T CA -0.298 61.715 62.100 -0.146 0.000 0.913 335 T CB -0.263 68.480 68.868 -0.208 0.000 1.046 335 T HN 0.056 nan 8.240 nan 0.000 0.553 336 Q N 0.378 120.218 119.800 0.066 0.000 2.359 336 Q HA 0.316 4.659 4.340 0.005 0.000 0.274 336 Q C -1.330 174.760 176.000 0.151 0.000 1.074 336 Q CA -0.958 54.931 55.803 0.143 0.000 0.810 336 Q CB 2.071 30.834 28.738 0.041 0.000 1.342 336 Q HN 0.543 nan 8.270 nan 0.000 0.427 337 W N 3.459 124.838 121.300 0.131 0.000 2.264 337 W HA 0.190 4.853 4.660 0.005 0.000 0.331 337 W C -0.640 175.782 176.519 -0.162 0.000 1.364 337 W CA 0.884 58.210 57.345 -0.032 0.000 1.253 337 W CB 0.694 30.286 29.460 0.220 0.000 1.215 337 W HN 0.770 nan 8.180 nan 0.000 0.561 338 S N 3.464 118.552 115.700 -1.019 0.000 2.688 338 S HA 0.364 4.837 4.470 0.005 0.000 0.275 338 S C -0.779 173.157 174.600 -1.107 0.000 1.175 338 S CA -0.862 56.777 58.200 -0.934 0.000 0.818 338 S CB 1.917 64.837 63.200 -0.466 0.000 1.157 338 S HN 0.610 nan 8.310 nan 0.000 0.482 339 H N 0.001 118.860 119.070 -0.352 0.000 2.486 339 H HA 0.434 4.993 4.556 0.005 0.000 0.284 339 H C 1.377 176.701 175.328 -0.007 0.000 1.103 339 H CA -0.270 55.703 56.048 -0.124 0.000 1.089 339 H CB -0.018 29.769 29.762 0.041 0.000 1.603 339 H HN 0.633 nan 8.280 nan 0.000 0.557 340 N N 0.495 119.170 118.700 -0.042 0.000 2.409 340 N HA -0.134 4.609 4.740 0.005 0.000 0.179 340 N C 1.439 176.954 175.510 0.009 0.000 1.032 340 N CA 0.244 53.295 53.050 0.003 0.000 0.898 340 N CB 0.114 38.575 38.487 -0.042 0.000 0.971 340 N HN 0.261 nan 8.380 nan 0.000 0.441 341 F N 1.043 120.878 119.950 -0.193 0.000 2.046 341 F HA -0.166 4.364 4.527 0.005 0.000 0.297 341 F C 1.634 177.265 175.800 -0.280 0.000 1.123 341 F CA 1.731 59.553 58.000 -0.298 0.000 1.199 341 F CB -0.570 38.090 39.000 -0.568 0.000 0.972 341 F HN -0.034 nan 8.300 nan 0.000 0.474 342 F N 0.601 120.576 119.950 0.041 0.000 2.234 342 F HA -0.121 4.409 4.527 0.005 0.000 0.299 342 F C 2.325 177.925 175.800 -0.332 0.000 1.087 342 F CA 1.121 59.030 58.000 -0.153 0.000 1.340 342 F CB -0.516 38.484 39.000 0.000 0.000 1.031 342 F HN 0.041 nan 8.300 nan 0.000 0.500 343 E N 0.395 120.585 120.200 -0.016 0.000 2.058 343 E HA -0.225 4.128 4.350 0.005 0.000 0.194 343 E C 1.831 178.406 176.600 -0.042 0.000 0.997 343 E CA 1.437 57.828 56.400 -0.016 0.000 0.801 343 E CB -0.225 29.537 29.700 0.103 0.000 0.746 343 E HN 0.356 nan 8.360 nan 0.000 0.450 344 N N 0.724 119.433 118.700 0.014 0.000 2.142 344 N HA -0.130 4.613 4.740 0.005 0.000 0.186 344 N C 1.859 177.544 175.510 0.292 0.000 1.023 344 N CA 0.543 53.725 53.050 0.220 0.000 0.852 344 N CB -0.400 38.252 38.487 0.275 0.000 0.998 344 N HN 0.058 nan 8.380 nan 0.000 0.424 345 L N 0.068 121.237 121.223 -0.089 0.000 2.013 345 L HA -0.086 4.257 4.340 0.005 0.000 0.212 345 L C 1.654 178.444 176.870 -0.133 0.000 1.073 345 L CA 1.717 56.407 54.840 -0.250 0.000 0.753 345 L CB -0.599 41.024 42.059 -0.725 0.000 0.890 345 L HN 0.074 nan 8.230 nan 0.000 0.432 346 F N -1.412 118.516 119.950 -0.036 0.000 2.569 346 F HA 0.171 4.701 4.527 0.005 0.000 0.295 346 F C 2.265 178.013 175.800 -0.088 0.000 1.115 346 F CA 0.484 58.439 58.000 -0.075 0.000 1.450 346 F CB -0.529 38.366 39.000 -0.175 0.000 1.107 346 F HN 0.151 nan 8.300 nan 0.000 0.563 347 G N -1.118 107.670 108.800 -0.019 0.000 2.572 347 G HA2 -0.050 3.913 3.960 0.005 0.000 0.216 347 G HA3 -0.050 3.913 3.960 0.005 0.000 0.216 347 G C -0.136 174.449 174.900 -0.525 0.000 1.133 347 G CA 0.423 45.342 45.100 -0.301 0.000 0.791 347 G HN 0.275 nan 8.290 nan 0.000 0.538 348 Y N -0.709 119.493 120.300 -0.164 0.000 2.576 348 Y HA 0.512 5.065 4.550 0.005 0.000 0.346 348 Y C -0.213 175.363 175.900 -0.540 0.000 1.018 348 Y CA -1.403 56.434 58.100 -0.438 0.000 1.050 348 Y CB 1.584 39.542 38.460 -0.836 0.000 1.280 348 Y HN -0.185 nan 8.280 nan 0.000 0.474 349 E N 0.821 120.856 120.200 -0.274 0.000 2.283 349 E HA 0.185 4.538 4.350 0.005 0.000 0.271 349 E C -1.576 174.780 176.600 -0.407 0.000 1.031 349 E CA -0.517 55.763 56.400 -0.199 0.000 0.868 349 E CB 1.115 30.812 29.700 -0.005 0.000 1.094 349 E HN 0.535 nan 8.360 nan 0.000 0.401 350 W N 0.658 122.073 121.300 0.190 0.000 2.632 350 W HA 0.358 5.021 4.660 0.005 0.000 0.328 350 W C 0.323 177.080 176.519 0.396 0.000 1.044 350 W CA -0.632 56.867 57.345 0.257 0.000 1.225 350 W CB 1.342 30.913 29.460 0.185 0.000 1.396 350 W HN 0.344 nan 8.180 nan 0.000 0.499 351 E N 2.302 122.855 120.200 0.589 0.000 2.176 351 E HA 0.342 4.695 4.350 0.005 0.000 0.267 351 E C -1.222 175.459 176.600 0.135 0.000 0.893 351 E CA -1.150 55.442 56.400 0.321 0.000 0.761 351 E CB 1.355 31.136 29.700 0.136 0.000 1.133 351 E HN 0.374 nan 8.360 nan 0.000 0.409 352 L N 4.031 125.091 121.223 -0.271 0.000 2.462 352 L HA 0.270 4.613 4.340 0.005 0.000 0.272 352 L C -0.126 176.525 176.870 -0.365 0.000 1.166 352 L CA 1.163 55.520 54.840 -0.805 0.000 0.880 352 L CB 0.965 42.495 42.059 -0.881 0.000 1.142 352 L HN 0.635 nan 8.230 nan 0.000 0.473 353 T N 4.118 118.470 114.554 -0.337 0.000 2.647 353 T HA 0.546 4.899 4.350 0.005 0.000 0.295 353 T C -1.192 173.418 174.700 -0.149 0.000 1.126 353 T CA -0.727 61.272 62.100 -0.169 0.000 1.040 353 T CB 1.059 69.871 68.868 -0.094 0.000 1.472 353 T HN 0.604 nan 8.240 nan 0.000 0.500 354 K N 1.242 121.577 120.400 -0.109 0.000 2.371 354 K HA 0.582 4.905 4.320 0.005 0.000 0.251 354 K C -0.269 176.270 176.600 -0.101 0.000 0.934 354 K CA -0.788 55.430 56.287 -0.115 0.000 0.798 354 K CB 1.939 34.365 32.500 -0.123 0.000 1.204 354 K HN 0.762 nan 8.250 nan 0.000 0.427 355 S N 1.254 116.890 115.700 -0.106 0.000 2.596 355 S HA 0.156 4.629 4.470 0.005 0.000 0.260 355 S C -1.780 172.757 174.600 -0.105 0.000 1.336 355 S CA -0.856 57.283 58.200 -0.103 0.000 0.993 355 S CB 0.497 63.634 63.200 -0.104 0.000 0.923 355 S HN 0.355 nan 8.310 nan 0.000 0.567 356 P HA 0.043 nan 4.420 nan 0.000 0.223 356 P C 0.932 178.145 177.300 -0.145 0.000 1.144 356 P CA 1.438 64.468 63.100 -0.116 0.000 0.783 356 P CB -0.207 31.419 31.700 -0.124 0.000 0.771 357 A N -1.226 121.508 122.820 -0.143 0.000 2.275 357 A HA 0.478 4.801 4.320 0.005 0.000 0.212 357 A C 1.636 179.148 177.584 -0.120 0.000 1.201 357 A CA 0.735 52.689 52.037 -0.138 0.000 0.843 357 A CB -0.901 18.024 19.000 -0.124 0.000 0.873 357 A HN 0.235 nan 8.150 nan 0.000 0.492 358 G N -2.059 106.665 108.800 -0.126 0.000 2.144 358 G HA2 0.147 4.110 3.960 0.005 0.000 0.218 358 G HA3 0.147 4.110 3.960 0.005 0.000 0.218 358 G C 0.328 175.106 174.900 -0.204 0.000 0.988 358 G CA 0.176 45.189 45.100 -0.145 0.000 0.659 358 G HN 1.493 nan 8.290 nan 0.000 0.522 359 A N 0.652 123.367 122.820 -0.176 0.000 2.316 359 A HA 0.672 4.995 4.320 0.005 0.000 0.284 359 A C 0.431 177.900 177.584 -0.193 0.000 1.115 359 A CA -0.509 51.414 52.037 -0.189 0.000 0.812 359 A CB 0.284 19.232 19.000 -0.087 0.000 1.064 359 A HN 0.423 nan 8.150 nan 0.000 0.489 360 H N 1.586 120.616 119.070 -0.066 0.000 2.803 360 H HA 0.296 4.855 4.556 0.005 0.000 0.330 360 H C 0.354 175.619 175.328 -0.105 0.000 1.057 360 H CA 0.889 56.864 56.048 -0.121 0.000 1.458 360 H CB 0.523 30.226 29.762 -0.098 0.000 1.470 360 H HN 0.782 nan 8.280 nan 0.000 0.560 361 Q N 1.834 121.580 119.800 -0.089 0.000 2.737 361 Q HA 0.396 4.739 4.340 0.005 0.000 0.307 361 Q C -1.780 174.073 176.000 -0.245 0.000 0.905 361 Q CA -1.092 54.686 55.803 -0.042 0.000 0.753 361 Q CB 1.629 30.371 28.738 0.007 0.000 1.463 361 Q HN 0.406 nan 8.270 nan 0.000 0.455 362 W N 0.382 121.699 121.300 0.027 0.000 2.761 362 W HA 0.741 5.404 4.660 0.005 0.000 0.340 362 W C -1.032 175.608 176.519 0.200 0.000 1.072 362 W CA -0.741 56.670 57.345 0.110 0.000 1.215 362 W CB 2.171 31.676 29.460 0.076 0.000 1.420 362 W HN 0.508 nan 8.180 nan 0.000 0.519 363 V N 2.385 122.594 119.914 0.492 0.000 2.823 363 V HA 0.843 4.966 4.120 0.005 0.000 0.312 363 V C -0.548 175.707 176.094 0.267 0.000 1.072 363 V CA -1.166 61.343 62.300 0.348 0.000 0.937 363 V CB 1.676 33.566 31.823 0.112 0.000 1.013 363 V HN 0.676 nan 8.190 nan 0.000 0.430 364 A N 5.609 128.350 122.820 -0.132 0.000 2.404 364 A HA 0.411 4.734 4.320 0.005 0.000 0.273 364 A C 0.264 177.601 177.584 -0.411 0.000 1.144 364 A CA -0.184 51.391 52.037 -0.771 0.000 0.806 364 A CB -0.212 17.974 19.000 -1.356 0.000 1.080 364 A HN 0.830 nan 8.150 nan 0.000 0.509 365 K N 1.786 122.008 120.400 -0.296 0.000 2.447 365 K HA 0.265 4.588 4.320 0.005 0.000 0.281 365 K C 1.216 177.749 176.600 -0.112 0.000 1.031 365 K CA 1.014 57.221 56.287 -0.133 0.000 1.019 365 K CB 0.259 32.718 32.500 -0.068 0.000 0.918 365 K HN 1.354 nan 8.250 nan 0.000 0.476 366 G N 1.700 110.453 108.800 -0.079 0.000 2.168 366 G HA2 -0.338 3.625 3.960 0.005 0.000 0.257 366 G HA3 -0.338 3.625 3.960 0.005 0.000 0.257 366 G C 0.237 175.112 174.900 -0.042 0.000 0.997 366 G CA 0.378 45.452 45.100 -0.045 0.000 0.708 366 G HN 0.819 nan 8.290 nan 0.000 0.520 367 A N -0.315 122.429 122.820 -0.125 0.000 2.322 367 A HA 0.591 4.914 4.320 0.005 0.000 0.269 367 A C 0.407 177.941 177.584 -0.084 0.000 1.094 367 A CA -0.098 51.857 52.037 -0.137 0.000 0.807 367 A CB 0.520 19.191 19.000 -0.548 0.000 1.047 367 A HN 0.266 nan 8.150 nan 0.000 0.487 368 D N 0.544 120.928 120.400 -0.027 0.000 2.358 368 D HA 0.393 5.036 4.640 0.005 0.000 0.244 368 D C 0.380 176.657 176.300 -0.038 0.000 1.163 368 D CA 0.448 54.434 54.000 -0.022 0.000 0.945 368 D CB 0.996 41.799 40.800 0.005 0.000 1.152 368 D HN 0.598 nan 8.370 nan 0.000 0.451 369 A N 1.092 123.891 122.820 -0.035 0.000 2.899 369 A HA 0.234 4.557 4.320 0.005 0.000 0.287 369 A C 1.115 178.688 177.584 -0.019 0.000 1.715 369 A CA -0.377 51.639 52.037 -0.036 0.000 1.393 369 A CB -0.838 18.124 19.000 -0.063 0.000 1.070 369 A HN 0.399 nan 8.150 nan 0.000 0.587 370 V N 0.346 120.260 119.914 0.001 0.000 3.578 370 V HA 0.322 4.445 4.120 0.005 0.000 0.290 370 V C 0.349 176.465 176.094 0.036 0.000 1.376 370 V CA -0.064 62.249 62.300 0.021 0.000 1.083 370 V CB -0.472 31.377 31.823 0.043 0.000 0.911 370 V HN 0.524 nan 8.190 nan 0.000 0.433 371 I N 3.959 124.561 120.570 0.054 0.000 2.342 371 I HA 0.469 4.642 4.170 0.005 0.000 0.291 371 I C -2.332 173.872 176.117 0.144 0.000 1.010 371 I CA -2.460 58.895 61.300 0.090 0.000 1.308 371 I CB 1.105 39.167 38.000 0.103 0.000 1.400 371 I HN 0.132 nan 8.210 nan 0.000 0.488 372 P HA 0.121 nan 4.420 nan 0.000 0.274 372 P C -0.666 176.853 177.300 0.365 0.000 1.231 372 P CA -0.255 62.970 63.100 0.208 0.000 0.790 372 P CB 1.016 32.836 31.700 0.200 0.000 0.951 373 D N 0.308 120.863 120.400 0.258 0.000 2.302 373 D HA 0.330 4.973 4.640 0.005 0.000 0.248 373 D C 1.288 177.539 176.300 -0.081 0.000 1.094 373 D CA -0.375 53.753 54.000 0.214 0.000 0.897 373 D CB 0.799 41.702 40.800 0.172 0.000 1.200 373 D HN 0.280 nan 8.370 nan 0.000 0.429 374 A N 2.634 125.151 122.820 -0.504 0.000 2.067 374 A HA -0.020 4.303 4.320 0.005 0.000 0.219 374 A C 1.092 177.957 177.584 -1.197 0.000 1.158 374 A CA 1.021 52.188 52.037 -1.451 0.000 0.661 374 A CB -0.367 17.773 19.000 -1.433 0.000 0.801 374 A HN 0.655 nan 8.150 nan 0.000 0.452 375 F N -1.911 117.878 119.950 -0.269 0.000 2.815 375 F HA 0.250 4.780 4.527 0.005 0.000 0.328 375 F C 0.160 175.905 175.800 -0.093 0.000 0.982 375 F CA -0.526 57.371 58.000 -0.171 0.000 1.154 375 F CB 0.714 39.613 39.000 -0.168 0.000 0.980 375 F HN 0.017 nan 8.300 nan 0.000 0.603 376 D N 1.705 122.155 120.400 0.084 0.000 2.414 376 D HA 0.272 4.915 4.640 0.005 0.000 0.232 376 D C -2.131 174.180 176.300 0.019 0.000 1.070 376 D CA -2.324 51.705 54.000 0.049 0.000 0.839 376 D CB 1.964 42.793 40.800 0.048 0.000 1.079 376 D HN -0.091 nan 8.370 nan 0.000 0.521 377 P HA -0.093 nan 4.420 nan 0.000 0.222 377 P C 1.187 178.483 177.300 -0.005 0.000 1.147 377 P CA 0.737 63.840 63.100 0.006 0.000 0.790 377 P CB 0.197 31.901 31.700 0.006 0.000 0.780 378 S N -1.981 113.713 115.700 -0.011 0.000 2.522 378 S HA 0.041 4.514 4.470 0.005 0.000 0.227 378 S C 0.832 175.402 174.600 -0.050 0.000 0.986 378 S CA 0.198 58.383 58.200 -0.024 0.000 0.929 378 S CB -0.574 62.614 63.200 -0.019 0.000 0.769 378 S HN 0.078 nan 8.310 nan 0.000 0.529 379 K N 1.283 121.646 120.400 -0.063 0.000 2.159 379 K HA 0.507 4.830 4.320 0.005 0.000 0.266 379 K C -0.553 175.913 176.600 -0.224 0.000 0.975 379 K CA -0.621 55.576 56.287 -0.150 0.000 0.865 379 K CB 1.041 33.466 32.500 -0.125 0.000 1.087 379 K HN 0.043 nan 8.250 nan 0.000 0.446 380 K N 1.968 122.155 120.400 -0.355 0.000 2.443 380 K HA 0.461 4.784 4.320 0.005 0.000 0.251 380 K C -0.761 175.522 176.600 -0.529 0.000 0.972 380 K CA -0.822 55.276 56.287 -0.314 0.000 0.833 380 K CB 2.014 34.437 32.500 -0.128 0.000 1.317 380 K HN 0.623 nan 8.250 nan 0.000 0.441 381 H N 0.713 119.779 119.070 -0.006 0.000 2.865 381 H HA 0.368 4.927 4.556 0.005 0.000 0.372 381 H C -0.102 175.202 175.328 -0.040 0.000 1.173 381 H CA -0.806 55.228 56.048 -0.023 0.000 1.147 381 H CB 1.922 31.670 29.762 -0.023 0.000 1.805 381 H HN 0.249 nan 8.280 nan 0.000 0.553 382 R N 1.376 121.918 120.500 0.070 0.000 2.641 382 R HA 0.191 4.534 4.340 0.005 0.000 0.269 382 R C -2.309 173.974 176.300 -0.028 0.000 1.074 382 R CA -1.551 54.530 56.100 -0.032 0.000 1.133 382 R CB -0.035 30.224 30.300 -0.070 0.000 1.029 382 R HN 0.294 nan 8.270 nan 0.000 0.488 383 P HA -0.024 nan 4.420 nan 0.000 0.266 383 P C -0.672 176.716 177.300 0.147 0.000 1.195 383 P CA 0.384 63.477 63.100 -0.011 0.000 0.768 383 P CB 0.671 32.293 31.700 -0.130 0.000 0.838 384 T N -0.008 114.633 114.554 0.145 0.000 2.896 384 T HA 0.828 5.181 4.350 0.005 0.000 0.297 384 T C -0.613 174.045 174.700 -0.071 0.000 1.108 384 T CA -0.859 61.317 62.100 0.127 0.000 1.004 384 T CB 1.266 70.104 68.868 -0.049 0.000 1.159 384 T HN 0.124 nan 8.240 nan 0.000 0.499 385 M N 1.564 121.089 119.600 -0.125 0.000 2.569 385 M HA 0.468 4.951 4.480 0.005 0.000 0.279 385 M C -1.132 175.198 176.300 0.050 0.000 1.253 385 M CA -0.700 54.479 55.300 -0.203 0.000 0.867 385 M CB 2.356 34.481 32.600 -0.791 0.000 1.727 385 M HN 0.672 nan 8.290 nan 0.000 0.467 386 L N 0.574 121.897 121.223 0.166 0.000 2.439 386 L HA 0.358 4.701 4.340 0.005 0.000 0.261 386 L C 1.536 178.515 176.870 0.182 0.000 1.153 386 L CA -0.276 54.717 54.840 0.254 0.000 0.808 386 L CB 0.554 42.799 42.059 0.309 0.000 1.126 386 L HN 0.777 nan 8.230 nan 0.000 0.460 387 T N -0.612 114.136 114.554 0.323 0.000 2.699 387 T HA -0.205 4.148 4.350 0.005 0.000 0.268 387 T C 1.762 176.492 174.700 0.049 0.000 1.036 387 T CA 2.256 64.481 62.100 0.207 0.000 1.147 387 T CB -0.286 68.792 68.868 0.351 0.000 0.862 387 T HN 0.927 nan 8.240 nan 0.000 0.446 388 T N 0.327 114.954 114.554 0.123 0.000 2.995 388 T HA -0.076 4.277 4.350 0.005 0.000 0.269 388 T C 1.458 176.175 174.700 0.027 0.000 1.091 388 T CA 0.951 63.107 62.100 0.094 0.000 1.128 388 T CB -0.244 68.718 68.868 0.157 0.000 0.891 388 T HN 0.267 nan 8.240 nan 0.000 0.492 389 D N 1.746 122.179 120.400 0.055 0.000 2.123 389 D HA 0.045 4.688 4.640 0.005 0.000 0.200 389 D C 2.168 178.381 176.300 -0.145 0.000 0.976 389 D CA 0.743 54.760 54.000 0.028 0.000 0.831 389 D CB -0.250 40.633 40.800 0.138 0.000 0.974 389 D HN 0.367 nan 8.370 nan 0.000 0.469 390 L N 1.066 122.132 121.223 -0.263 0.000 2.265 390 L HA -0.126 4.217 4.340 0.005 0.000 0.215 390 L C 2.371 179.200 176.870 -0.069 0.000 1.117 390 L CA 0.587 55.250 54.840 -0.295 0.000 0.782 390 L CB -0.427 41.346 42.059 -0.476 0.000 0.914 390 L HN -0.062 nan 8.230 nan 0.000 0.441 391 S N 0.450 116.135 115.700 -0.024 0.000 2.400 391 S HA -0.143 4.330 4.470 0.005 0.000 0.232 391 S C 1.916 176.576 174.600 0.099 0.000 1.025 391 S CA 1.123 59.372 58.200 0.082 0.000 0.993 391 S CB -0.278 62.984 63.200 0.102 0.000 0.808 391 S HN 0.389 nan 8.310 nan 0.000 0.478 392 L N 0.590 121.783 121.223 -0.051 0.000 2.362 392 L HA -0.021 4.322 4.340 0.005 0.000 0.219 392 L C 2.553 179.381 176.870 -0.070 0.000 1.134 392 L CA 1.038 55.837 54.840 -0.067 0.000 0.807 392 L CB -0.360 41.654 42.059 -0.076 0.000 0.927 392 L HN 0.276 nan 8.230 nan 0.000 0.447 393 R N -0.445 119.902 120.500 -0.256 0.000 2.167 393 R HA 0.042 4.385 4.340 0.005 0.000 0.201 393 R C 1.849 177.857 176.300 -0.487 0.000 1.024 393 R CA 0.458 56.267 56.100 -0.484 0.000 1.053 393 R CB 0.068 29.794 30.300 -0.957 0.000 0.987 393 R HN 0.138 nan 8.270 nan 0.000 0.493 394 F N 0.979 120.910 119.950 -0.030 0.000 2.746 394 F HA 0.187 4.717 4.527 0.005 0.000 0.297 394 F C 0.663 176.461 175.800 -0.004 0.000 1.113 394 F CA -0.251 57.736 58.000 -0.022 0.000 1.367 394 F CB 0.322 39.278 39.000 -0.074 0.000 1.111 394 F HN -0.011 nan 8.300 nan 0.000 0.590 395 D N 1.893 122.371 120.400 0.131 0.000 2.343 395 D HA 0.049 4.692 4.640 0.005 0.000 0.255 395 D C -1.920 174.379 176.300 -0.003 0.000 1.187 395 D CA -1.636 52.386 54.000 0.038 0.000 0.875 395 D CB 1.738 42.521 40.800 -0.028 0.000 1.136 395 D HN -0.017 nan 8.370 nan 0.000 0.469 396 P HA -0.145 nan 4.420 nan 0.000 0.216 396 P C 0.977 178.244 177.300 -0.055 0.000 1.153 396 P CA 1.444 64.528 63.100 -0.027 0.000 0.858 396 P CB 0.184 31.867 31.700 -0.029 0.000 0.789 397 A N -1.621 121.129 122.820 -0.116 0.000 1.898 397 A HA -0.195 4.128 4.320 0.005 0.000 0.216 397 A C 2.197 179.746 177.584 -0.058 0.000 1.181 397 A CA 1.323 53.284 52.037 -0.127 0.000 0.620 397 A CB -1.856 17.019 19.000 -0.207 0.000 0.819 397 A HN 0.203 nan 8.150 nan 0.000 0.442 398 Y N -0.670 119.588 120.300 -0.070 0.000 2.242 398 Y HA -0.177 4.376 4.550 0.005 0.000 0.291 398 Y C 2.685 178.527 175.900 -0.096 0.000 1.137 398 Y CA 0.793 58.837 58.100 -0.093 0.000 1.181 398 Y CB 0.046 38.457 38.460 -0.082 0.000 0.989 398 Y HN 0.355 nan 8.280 nan 0.000 0.527 399 E N 1.502 121.756 120.200 0.090 0.000 2.085 399 E HA -0.230 4.123 4.350 0.005 0.000 0.194 399 E C 1.688 178.280 176.600 -0.013 0.000 0.994 399 E CA 1.491 57.930 56.400 0.066 0.000 0.801 399 E CB -0.022 29.699 29.700 0.036 0.000 0.743 399 E HN 0.502 nan 8.360 nan 0.000 0.453 400 K N -0.023 120.340 120.400 -0.063 0.000 2.057 400 K HA -0.081 4.242 4.320 0.005 0.000 0.207 400 K C 2.393 178.871 176.600 -0.203 0.000 1.049 400 K CA 1.345 57.559 56.287 -0.121 0.000 0.931 400 K CB -0.122 32.320 32.500 -0.096 0.000 0.714 400 K HN 0.186 nan 8.250 nan 0.000 0.440 401 I N 0.830 121.261 120.570 -0.232 0.000 2.202 401 I HA -0.253 3.920 4.170 0.005 0.000 0.242 401 I C 2.220 177.925 176.117 -0.686 0.000 1.091 401 I CA 1.055 62.069 61.300 -0.477 0.000 1.368 401 I CB -0.269 37.483 38.000 -0.413 0.000 1.058 401 I HN 0.037 nan 8.210 nan 0.000 0.410 402 S N 0.535 115.980 115.700 -0.425 0.000 2.370 402 S HA -0.153 4.320 4.470 0.005 0.000 0.226 402 S C 2.105 176.388 174.600 -0.529 0.000 1.033 402 S CA 1.145 59.020 58.200 -0.542 0.000 1.011 402 S CB -0.263 62.915 63.200 -0.036 0.000 0.852 402 S HN 0.318 nan 8.310 nan 0.000 0.457 403 R N 0.966 121.274 120.500 -0.321 0.000 2.075 403 R HA 0.021 4.364 4.340 0.005 0.000 0.232 403 R C 2.494 178.614 176.300 -0.302 0.000 1.126 403 R CA 1.113 56.964 56.100 -0.415 0.000 0.963 403 R CB -0.548 29.501 30.300 -0.418 0.000 0.858 403 R HN 0.395 nan 8.270 nan 0.000 0.435 404 R N 0.133 120.459 120.500 -0.291 0.000 2.083 404 R HA -0.089 4.254 4.340 0.005 0.000 0.237 404 R C 2.298 178.573 176.300 -0.042 0.000 1.137 404 R CA 1.541 57.531 56.100 -0.184 0.000 0.951 404 R CB -0.381 29.794 30.300 -0.209 0.000 0.851 404 R HN 0.184 nan 8.270 nan 0.000 0.434 405 F N -0.789 119.003 119.950 -0.263 0.000 2.134 405 F HA -0.263 4.266 4.527 0.005 0.000 0.299 405 F C 2.624 178.295 175.800 -0.215 0.000 1.097 405 F CA 0.906 58.756 58.000 -0.250 0.000 1.264 405 F CB -0.354 38.313 39.000 -0.556 0.000 1.001 405 F HN 0.321 nan 8.300 nan 0.000 0.479 406 H N 0.789 119.665 119.070 -0.323 0.000 2.319 406 H HA -0.155 4.404 4.556 0.005 0.000 0.299 406 H C 1.819 177.109 175.328 -0.064 0.000 1.092 406 H CA 2.103 58.073 56.048 -0.131 0.000 1.302 406 H CB -0.297 29.369 29.762 -0.160 0.000 1.373 406 H HN 0.281 nan 8.280 nan 0.000 0.497 407 E N -0.547 119.525 120.200 -0.214 0.000 2.216 407 E HA -0.002 4.351 4.350 0.005 0.000 0.192 407 E C -0.057 176.478 176.600 -0.109 0.000 0.988 407 E CA 0.498 56.756 56.400 -0.237 0.000 0.834 407 E CB 0.277 29.855 29.700 -0.202 0.000 0.772 407 E HN 0.452 nan 8.360 nan 0.000 0.479 408 N N 0.910 119.604 118.700 -0.011 0.000 2.841 408 N HA 0.123 4.866 4.740 0.005 0.000 0.257 408 N C -2.376 173.204 175.510 0.118 0.000 1.396 408 N CA -1.017 52.062 53.050 0.047 0.000 0.823 408 N CB 1.501 40.038 38.487 0.082 0.000 1.162 408 N HN -0.051 nan 8.380 nan 0.000 0.503 409 P HA -0.134 nan 4.420 nan 0.000 0.218 409 P C 1.114 178.524 177.300 0.183 0.000 1.148 409 P CA 1.286 64.410 63.100 0.041 0.000 0.822 409 P CB 0.572 31.970 31.700 -0.503 0.000 0.784 410 E N -0.389 119.888 120.200 0.129 0.000 2.077 410 E HA -0.215 4.138 4.350 0.005 0.000 0.193 410 E C 2.156 178.848 176.600 0.153 0.000 0.989 410 E CA 0.997 57.482 56.400 0.142 0.000 0.800 410 E CB -0.348 29.411 29.700 0.099 0.000 0.746 410 E HN 0.431 nan 8.360 nan 0.000 0.452 411 Q N -0.227 119.679 119.800 0.176 0.000 2.124 411 Q HA -0.169 4.174 4.340 0.005 0.000 0.202 411 Q C 2.060 178.139 176.000 0.132 0.000 0.977 411 Q CA 1.072 56.999 55.803 0.206 0.000 0.850 411 Q CB -0.194 28.720 28.738 0.295 0.000 0.901 411 Q HN 0.243 nan 8.270 nan 0.000 0.429 412 F N 1.422 121.278 119.950 -0.157 0.000 2.102 412 F HA -0.150 4.380 4.527 0.005 0.000 0.298 412 F C 2.124 177.883 175.800 -0.068 0.000 1.105 412 F CA 1.318 58.960 58.000 -0.597 0.000 1.239 412 F CB -0.847 38.024 39.000 -0.215 0.000 0.991 412 F HN -0.007 nan 8.300 nan 0.000 0.474 413 A N -0.144 122.727 122.820 0.085 0.000 1.883 413 A HA -0.269 4.054 4.320 0.005 0.000 0.217 413 A C 2.003 179.647 177.584 0.099 0.000 1.186 413 A CA 2.171 54.283 52.037 0.126 0.000 0.624 413 A CB -1.345 17.762 19.000 0.179 0.000 0.822 413 A HN 0.493 nan 8.150 nan 0.000 0.444 414 D N -0.717 119.726 120.400 0.072 0.000 2.117 414 D HA 0.042 4.685 4.640 0.005 0.000 0.198 414 D C 2.056 178.402 176.300 0.077 0.000 0.982 414 D CA 1.441 55.480 54.000 0.064 0.000 0.828 414 D CB -0.189 40.657 40.800 0.077 0.000 0.967 414 D HN 0.333 nan 8.370 nan 0.000 0.464 415 A N -0.250 122.629 122.820 0.099 0.000 1.902 415 A HA -0.125 4.198 4.320 0.005 0.000 0.217 415 A C 2.265 179.971 177.584 0.203 0.000 1.181 415 A CA 1.171 53.297 52.037 0.149 0.000 0.623 415 A CB -1.244 17.880 19.000 0.206 0.000 0.818 415 A HN 0.488 nan 8.150 nan 0.000 0.443 416 F N 0.600 120.551 119.950 0.002 0.000 2.113 416 F HA -0.055 4.475 4.527 0.005 0.000 0.297 416 F C 2.576 178.466 175.800 0.150 0.000 1.103 416 F CA 1.074 59.073 58.000 -0.002 0.000 1.248 416 F CB -0.098 38.739 39.000 -0.272 0.000 0.999 416 F HN 0.292 nan 8.300 nan 0.000 0.475 417 A N 0.912 123.826 122.820 0.157 0.000 1.908 417 A HA -0.231 4.092 4.320 0.005 0.000 0.218 417 A C 2.191 179.829 177.584 0.089 0.000 1.181 417 A CA 1.901 54.028 52.037 0.149 0.000 0.627 417 A CB -0.756 18.307 19.000 0.104 0.000 0.818 417 A HN 0.476 nan 8.150 nan 0.000 0.445 418 R N -0.852 119.607 120.500 -0.067 0.000 2.062 418 R HA 0.014 4.357 4.340 0.005 0.000 0.229 418 R C 2.525 178.844 176.300 0.031 0.000 1.128 418 R CA 1.118 57.072 56.100 -0.242 0.000 0.960 418 R CB -0.428 29.708 30.300 -0.272 0.000 0.855 418 R HN 0.500 nan 8.270 nan 0.000 0.432 419 A N 0.951 123.834 122.820 0.104 0.000 1.933 419 A HA -0.190 4.133 4.320 0.005 0.000 0.218 419 A C 1.875 179.548 177.584 0.149 0.000 1.175 419 A CA 0.904 53.017 52.037 0.127 0.000 0.628 419 A CB -0.870 18.258 19.000 0.213 0.000 0.814 419 A HN 0.613 nan 8.150 nan 0.000 0.444 420 W N -0.428 120.862 121.300 -0.015 0.000 2.381 420 W HA -0.221 4.442 4.660 0.005 0.000 0.301 420 W C 1.853 178.432 176.519 0.098 0.000 1.205 420 W CA 1.730 59.057 57.345 -0.031 0.000 1.285 420 W CB -0.448 28.841 29.460 -0.285 0.000 1.133 420 W HN 0.405 nan 8.180 nan 0.000 0.521 421 F N 2.105 122.121 119.950 0.110 0.000 2.095 421 F HA -0.218 4.312 4.527 0.004 0.000 0.298 421 F C 2.652 178.471 175.800 0.032 0.000 1.104 421 F CA 2.856 60.927 58.000 0.119 0.000 1.232 421 F CB -0.860 38.287 39.000 0.244 0.000 0.987 421 F HN -0.215 nan 8.300 nan 0.000 0.475 422 K N 0.249 120.560 120.400 -0.149 0.000 1.991 422 K HA -0.240 4.083 4.320 0.005 0.000 0.212 422 K C 2.207 178.382 176.600 -0.707 0.000 1.049 422 K CA 1.848 57.702 56.287 -0.723 0.000 0.932 422 K CB -0.754 31.280 32.500 -0.776 0.000 0.717 422 K HN 0.347 nan 8.250 nan 0.000 0.441 423 L N 1.469 122.435 121.223 -0.428 0.000 1.997 423 L HA -0.230 4.113 4.340 0.005 0.000 0.216 423 L C 2.207 178.812 176.870 -0.442 0.000 1.074 423 L CA 2.870 57.508 54.840 -0.337 0.000 0.763 423 L CB -1.138 40.819 42.059 -0.170 0.000 0.890 423 L HN 0.533 nan 8.230 nan 0.000 0.434 424 T N -5.134 109.095 114.554 -0.542 0.000 3.100 424 T HA -0.002 4.351 4.350 0.005 0.000 0.253 424 T C 0.992 175.281 174.700 -0.684 0.000 1.118 424 T CA 1.039 62.784 62.100 -0.591 0.000 1.058 424 T CB -0.539 67.897 68.868 -0.719 0.000 0.953 424 T HN 0.578 nan 8.240 nan 0.000 0.515 425 H N -0.847 117.840 119.070 -0.637 0.000 2.923 425 H HA 0.486 5.045 4.556 0.005 0.000 0.268 425 H C 1.855 176.950 175.328 -0.388 0.000 1.148 425 H CA -0.453 55.254 56.048 -0.569 0.000 1.146 425 H CB 0.413 29.693 29.762 -0.803 0.000 1.607 425 H HN 0.079 nan 8.280 nan 0.000 0.566 426 R N 1.527 121.732 120.500 -0.490 0.000 2.120 426 R HA -0.089 4.254 4.340 0.005 0.000 0.234 426 R C 0.623 176.717 176.300 -0.343 0.000 1.123 426 R CA 1.799 57.562 56.100 -0.561 0.000 0.975 426 R CB -0.022 29.754 30.300 -0.873 0.000 0.866 426 R HN 0.417 nan 8.270 nan 0.000 0.446 427 D N -1.558 118.624 120.400 -0.364 0.000 2.388 427 D HA -0.020 4.623 4.640 0.005 0.000 0.221 427 D C 1.085 177.328 176.300 -0.095 0.000 1.133 427 D CA 0.081 53.966 54.000 -0.192 0.000 0.831 427 D CB -0.086 40.615 40.800 -0.166 0.000 0.962 427 D HN 0.278 nan 8.370 nan 0.000 0.502 428 M N 0.306 119.870 119.600 -0.060 0.000 2.595 428 M HA 0.191 4.674 4.480 0.005 0.000 0.248 428 M C 1.050 177.357 176.300 0.011 0.000 1.119 428 M CA 0.745 56.021 55.300 -0.039 0.000 1.079 428 M CB 0.027 32.579 32.600 -0.079 0.000 1.472 428 M HN 0.293 nan 8.290 nan 0.000 0.501 429 G N 1.140 109.971 108.800 0.052 0.000 2.593 429 G HA2 -0.195 3.768 3.960 0.005 0.000 0.237 429 G HA3 -0.195 3.768 3.960 0.005 0.000 0.237 429 G C -2.833 172.060 174.900 -0.012 0.000 1.312 429 G CA -1.166 43.931 45.100 -0.006 0.000 0.896 429 G HN 0.178 nan 8.290 nan 0.000 0.574 430 P HA 0.286 nan 4.420 nan 0.000 0.269 430 P C 0.986 178.125 177.300 -0.268 0.000 1.215 430 P CA -0.109 62.926 63.100 -0.108 0.000 0.780 430 P CB 0.315 32.037 31.700 0.037 0.000 0.898 431 R N 2.201 122.429 120.500 -0.453 0.000 2.159 431 R HA -0.168 4.175 4.340 0.005 0.000 0.237 431 R C 1.984 178.073 176.300 -0.351 0.000 1.131 431 R CA 1.547 57.187 56.100 -0.767 0.000 0.982 431 R CB -0.839 29.087 30.300 -0.623 0.000 0.868 431 R HN 0.526 nan 8.270 nan 0.000 0.453 432 A N 1.364 124.085 122.820 -0.164 0.000 2.032 432 A HA -0.191 4.132 4.320 0.005 0.000 0.221 432 A C 1.862 179.444 177.584 -0.004 0.000 1.165 432 A CA 1.255 53.266 52.037 -0.044 0.000 0.645 432 A CB -0.324 18.695 19.000 0.032 0.000 0.807 432 A HN 0.272 nan 8.150 nan 0.000 0.453 433 R N -1.901 118.578 120.500 -0.034 0.000 2.275 433 R HA 0.032 4.375 4.340 0.005 0.000 0.199 433 R C -0.502 175.879 176.300 0.135 0.000 0.989 433 R CA -0.016 56.079 56.100 -0.008 0.000 1.016 433 R CB -0.077 30.116 30.300 -0.178 0.000 0.918 433 R HN 0.487 nan 8.270 nan 0.000 0.473 434 Y N 1.538 121.785 120.300 -0.089 0.000 2.436 434 Y HA 0.202 4.755 4.550 0.006 0.000 0.336 434 Y C 0.553 176.416 175.900 -0.061 0.000 1.049 434 Y CA -0.723 57.332 58.100 -0.076 0.000 1.294 434 Y CB 0.245 38.689 38.460 -0.026 0.000 1.179 434 Y HN -0.128 nan 8.280 nan 0.000 0.520 435 L N 2.488 123.720 121.223 0.015 0.000 2.330 435 L HA 0.887 5.230 4.340 0.005 0.000 0.271 435 L C 0.626 177.621 176.870 0.209 0.000 1.013 435 L CA -0.852 54.032 54.840 0.073 0.000 0.816 435 L CB 1.765 43.827 42.059 0.005 0.000 1.287 435 L HN 0.796 nan 8.230 nan 0.000 0.435 436 G N 1.784 110.755 108.800 0.284 0.000 2.655 436 G HA2 -0.116 3.847 3.960 0.005 0.000 0.680 436 G HA3 -0.116 3.847 3.960 0.005 0.000 0.680 436 G C -2.468 172.535 174.900 0.171 0.000 1.302 436 G CA -0.336 44.950 45.100 0.309 0.000 0.872 436 G HN 0.527 nan 8.290 nan 0.000 0.540 437 P HA 0.192 nan 4.420 nan 0.000 0.255 437 P C 0.606 177.950 177.300 0.073 0.000 1.248 437 P CA 0.870 64.014 63.100 0.074 0.000 0.807 437 P CB 0.313 32.037 31.700 0.040 0.000 1.150 438 E N -0.315 119.964 120.200 0.132 0.000 2.548 438 E HA 0.144 4.497 4.350 0.005 0.000 0.206 438 E C -0.173 176.468 176.600 0.067 0.000 1.005 438 E CA -0.258 56.208 56.400 0.111 0.000 0.951 438 E CB 0.833 30.662 29.700 0.215 0.000 1.035 438 E HN 0.009 nan 8.360 nan 0.000 0.470 439 V N 3.821 123.772 119.914 0.061 0.000 2.529 439 V HA 0.051 4.174 4.120 0.005 0.000 0.292 439 V C -2.006 174.035 176.094 -0.088 0.000 1.028 439 V CA -1.237 61.091 62.300 0.046 0.000 1.074 439 V CB 0.010 31.908 31.823 0.124 0.000 0.958 439 V HN 0.079 nan 8.190 nan 0.000 0.481 440 P HA 0.150 nan 4.420 nan 0.000 0.267 440 P C 0.513 177.677 177.300 -0.227 0.000 1.205 440 P CA 0.005 62.854 63.100 -0.418 0.000 0.765 440 P CB 0.879 32.122 31.700 -0.762 0.000 0.828 441 A N 3.073 125.767 122.820 -0.211 0.000 1.969 441 A HA -0.135 4.188 4.320 0.005 0.000 0.218 441 A C 1.070 178.588 177.584 -0.110 0.000 1.169 441 A CA 0.719 52.678 52.037 -0.131 0.000 0.635 441 A CB -0.766 18.166 19.000 -0.114 0.000 0.810 441 A HN 0.644 nan 8.150 nan 0.000 0.445 442 E N 0.652 120.781 120.200 -0.118 0.000 2.417 442 E HA 0.265 4.618 4.350 0.005 0.000 0.261 442 E C -1.049 175.536 176.600 -0.025 0.000 1.000 442 E CA -0.322 56.058 56.400 -0.033 0.000 0.919 442 E CB 0.498 30.238 29.700 0.067 0.000 0.955 442 E HN 0.141 nan 8.360 nan 0.000 0.455 443 V N 6.692 126.578 119.914 -0.047 0.000 2.461 443 V HA 0.199 4.322 4.120 0.005 0.000 0.275 443 V C 0.253 176.291 176.094 -0.092 0.000 1.047 443 V CA -0.299 61.943 62.300 -0.097 0.000 0.955 443 V CB 0.792 32.554 31.823 -0.102 0.000 0.988 443 V HN 0.569 nan 8.190 nan 0.000 0.471 444 L N 4.650 125.756 121.223 -0.195 0.000 2.334 444 L HA 0.383 4.726 4.340 0.005 0.000 0.276 444 L C 0.968 177.669 176.870 -0.281 0.000 1.014 444 L CA -0.661 54.046 54.840 -0.222 0.000 0.815 444 L CB 1.548 43.396 42.059 -0.352 0.000 1.268 444 L HN 0.491 nan 8.230 nan 0.000 0.428 445 L N 3.476 124.643 121.223 -0.094 0.000 2.079 445 L HA -0.183 4.160 4.340 0.005 0.000 0.210 445 L C 2.135 179.011 176.870 0.010 0.000 1.081 445 L CA 1.905 56.733 54.840 -0.021 0.000 0.752 445 L CB -0.569 41.530 42.059 0.067 0.000 0.896 445 L HN 0.802 nan 8.230 nan 0.000 0.433 446 W N -0.893 120.448 121.300 0.069 0.000 2.421 446 W HA -0.163 4.499 4.660 0.004 0.000 0.270 446 W C 1.425 177.981 176.519 0.062 0.000 1.233 446 W CA 0.475 57.862 57.345 0.070 0.000 1.226 446 W CB -1.118 28.386 29.460 0.074 0.000 1.121 446 W HN 0.328 nan 8.180 nan 0.000 0.579 447 Q N 1.007 120.493 119.800 -0.523 0.000 2.515 447 Q HA -0.078 4.265 4.340 0.005 0.000 0.212 447 Q C -0.284 175.619 176.000 -0.161 0.000 0.970 447 Q CA 0.729 56.240 55.803 -0.487 0.000 0.941 447 Q CB -0.466 27.813 28.738 -0.764 0.000 0.998 447 Q HN 0.086 nan 8.270 nan 0.000 0.518 448 D N 1.053 121.417 120.400 -0.060 0.000 2.735 448 D HA -0.131 4.512 4.640 0.005 0.000 0.235 448 D C -2.410 173.856 176.300 -0.057 0.000 1.175 448 D CA 0.524 54.514 54.000 -0.016 0.000 0.683 448 D CB -0.720 40.102 40.800 0.037 0.000 1.008 448 D HN 0.313 nan 8.370 nan 0.000 0.416 449 P HA 0.197 nan 4.420 nan 0.000 0.269 449 P C 0.325 177.586 177.300 -0.066 0.000 1.215 449 P CA -0.146 62.889 63.100 -0.108 0.000 0.780 449 P CB 0.904 32.532 31.700 -0.121 0.000 0.898 450 I N 3.222 123.752 120.570 -0.067 0.000 2.436 450 I HA 0.284 4.457 4.170 0.005 0.000 0.289 450 I C -2.054 174.035 176.117 -0.046 0.000 1.010 450 I CA -2.562 58.712 61.300 -0.044 0.000 1.098 450 I CB 1.623 39.603 38.000 -0.033 0.000 1.266 450 I HN 0.182 nan 8.210 nan 0.000 0.434 451 P HA 0.111 nan 4.420 nan 0.000 0.266 451 P C -0.460 176.821 177.300 -0.031 0.000 1.195 451 P CA -0.263 62.822 63.100 -0.026 0.000 0.768 451 P CB 0.499 32.196 31.700 -0.006 0.000 0.838 452 A N 2.988 125.786 122.820 -0.037 0.000 2.483 452 A HA 0.186 4.509 4.320 0.005 0.000 0.238 452 A C 0.102 177.656 177.584 -0.051 0.000 1.070 452 A CA -0.275 51.733 52.037 -0.048 0.000 0.770 452 A CB -0.048 18.924 19.000 -0.047 0.000 1.008 452 A HN 0.408 nan 8.150 nan 0.000 0.497 453 V N 2.932 122.790 119.914 -0.093 0.000 2.455 453 V HA 0.192 4.315 4.120 0.005 0.000 0.273 453 V C 0.096 176.084 176.094 -0.176 0.000 1.045 453 V CA 0.385 62.574 62.300 -0.184 0.000 0.976 453 V CB 1.022 32.682 31.823 -0.271 0.000 0.993 453 V HN 0.986 nan 8.190 nan 0.000 0.475 454 D N 2.744 123.067 120.400 -0.129 0.000 2.696 454 D HA 0.211 4.854 4.640 0.005 0.000 0.269 454 D C -0.091 176.236 176.300 0.045 0.000 1.319 454 D CA -0.317 53.666 54.000 -0.028 0.000 0.826 454 D CB -0.046 40.776 40.800 0.035 0.000 1.086 454 D HN 0.809 nan 8.370 nan 0.000 0.481 455 H N -3.703 115.372 119.070 0.008 0.000 3.017 455 H HA 0.686 5.245 4.556 0.005 0.000 0.346 455 H C -3.129 172.211 175.328 0.020 0.000 1.286 455 H CA -1.969 54.088 56.048 0.015 0.000 1.120 455 H CB -0.129 29.647 29.762 0.023 0.000 1.860 455 H HN -0.310 nan 8.280 nan 0.000 0.542 456 P HA 0.097 nan 4.420 nan 0.000 0.265 456 P C -0.367 177.073 177.300 0.234 0.000 1.193 456 P CA -0.108 63.073 63.100 0.136 0.000 0.765 456 P CB 0.598 32.367 31.700 0.116 0.000 0.823 457 L N 3.137 124.435 121.223 0.125 0.000 2.421 457 L HA 0.397 4.740 4.340 0.005 0.000 0.263 457 L C 1.101 178.067 176.870 0.160 0.000 1.122 457 L CA -1.207 53.722 54.840 0.148 0.000 0.804 457 L CB 0.278 42.370 42.059 0.056 0.000 1.150 457 L HN 0.369 nan 8.230 nan 0.000 0.457 458 I N -1.104 119.575 120.570 0.181 0.000 2.813 458 I HA 0.101 4.274 4.170 0.005 0.000 0.287 458 I C -0.178 176.021 176.117 0.136 0.000 1.196 458 I CA -0.494 60.909 61.300 0.171 0.000 1.421 458 I CB 0.249 38.316 38.000 0.111 0.000 1.365 458 I HN 0.588 nan 8.210 nan 0.000 0.591 459 D N 4.200 124.676 120.400 0.126 0.000 2.588 459 D HA 0.530 5.173 4.640 0.005 0.000 0.268 459 D C 0.848 177.206 176.300 0.096 0.000 1.176 459 D CA -0.337 53.721 54.000 0.098 0.000 1.080 459 D CB 0.994 41.842 40.800 0.081 0.000 1.186 459 D HN 0.582 nan 8.370 nan 0.000 0.619 460 A N -0.336 122.532 122.820 0.079 0.000 1.930 460 A HA 0.119 4.442 4.320 0.005 0.000 0.217 460 A C 2.126 179.746 177.584 0.059 0.000 1.175 460 A CA 2.214 54.294 52.037 0.072 0.000 0.627 460 A CB -1.372 17.663 19.000 0.058 0.000 0.815 460 A HN 0.653 nan 8.150 nan 0.000 0.443 461 A N 0.301 123.158 122.820 0.063 0.000 1.877 461 A HA -0.193 4.130 4.320 0.005 0.000 0.216 461 A C 1.768 179.398 177.584 0.078 0.000 1.186 461 A CA 1.839 53.914 52.037 0.063 0.000 0.620 461 A CB -0.554 18.485 19.000 0.064 0.000 0.822 461 A HN 0.478 nan 8.150 nan 0.000 0.443 462 D N 0.140 120.604 120.400 0.107 0.000 2.117 462 D HA -0.044 4.599 4.640 0.005 0.000 0.198 462 D C 2.231 178.522 176.300 -0.015 0.000 0.982 462 D CA 1.461 55.544 54.000 0.137 0.000 0.828 462 D CB -0.474 40.458 40.800 0.221 0.000 0.967 462 D HN 0.432 nan 8.370 nan 0.000 0.464 463 A N 1.343 124.151 122.820 -0.020 0.000 1.902 463 A HA -0.057 4.266 4.320 0.005 0.000 0.217 463 A C 2.363 179.891 177.584 -0.092 0.000 1.181 463 A CA 2.214 54.194 52.037 -0.096 0.000 0.623 463 A CB -0.724 18.267 19.000 -0.015 0.000 0.818 463 A HN 0.235 nan 8.150 nan 0.000 0.443 464 A N -0.377 122.427 122.820 -0.027 0.000 1.908 464 A HA -0.225 4.098 4.320 0.005 0.000 0.218 464 A C 2.065 179.638 177.584 -0.020 0.000 1.181 464 A CA 1.899 53.926 52.037 -0.017 0.000 0.627 464 A CB -0.585 18.421 19.000 0.010 0.000 0.818 464 A HN 0.683 nan 8.150 nan 0.000 0.445 465 E N -0.222 119.980 120.200 0.002 0.000 2.051 465 E HA -0.177 4.176 4.350 0.005 0.000 0.192 465 E C 1.982 178.572 176.600 -0.016 0.000 0.991 465 E CA 1.254 57.670 56.400 0.027 0.000 0.799 465 E CB -0.213 29.553 29.700 0.111 0.000 0.748 465 E HN 0.626 nan 8.360 nan 0.000 0.449 466 L N 0.587 121.749 121.223 -0.102 0.000 2.083 466 L HA -0.183 4.160 4.340 0.005 0.000 0.209 466 L C 2.640 179.432 176.870 -0.129 0.000 1.083 466 L CA 1.245 55.982 54.840 -0.172 0.000 0.752 466 L CB -0.259 41.591 42.059 -0.348 0.000 0.899 466 L HN 0.062 nan 8.230 nan 0.000 0.433 467 K N -0.086 120.240 120.400 -0.123 0.000 2.057 467 K HA -0.131 4.192 4.320 0.005 0.000 0.207 467 K C 2.248 178.815 176.600 -0.054 0.000 1.049 467 K CA 1.292 57.522 56.287 -0.095 0.000 0.931 467 K CB -0.243 32.203 32.500 -0.089 0.000 0.714 467 K HN 0.283 nan 8.250 nan 0.000 0.440 468 A N 2.155 124.953 122.820 -0.037 0.000 1.902 468 A HA -0.191 4.132 4.320 0.005 0.000 0.217 468 A C 1.908 179.484 177.584 -0.013 0.000 1.181 468 A CA 1.486 53.513 52.037 -0.017 0.000 0.623 468 A CB -0.255 18.743 19.000 -0.004 0.000 0.818 468 A HN 0.177 nan 8.150 nan 0.000 0.443 469 K N -0.382 120.010 120.400 -0.013 0.000 2.097 469 K HA -0.046 4.277 4.320 0.005 0.000 0.205 469 K C 1.927 178.518 176.600 -0.015 0.000 1.050 469 K CA 1.267 57.551 56.287 -0.005 0.000 0.938 469 K CB -0.476 32.029 32.500 0.008 0.000 0.718 469 K HN 0.316 nan 8.250 nan 0.000 0.442 470 V N 2.230 122.124 119.914 -0.033 0.000 2.287 470 V HA -0.247 3.876 4.120 0.005 0.000 0.248 470 V C 2.304 178.385 176.094 -0.022 0.000 1.053 470 V CA 1.679 63.959 62.300 -0.033 0.000 1.027 470 V CB -0.397 31.395 31.823 -0.052 0.000 0.646 470 V HN 0.263 nan 8.190 nan 0.000 0.447 471 L N -0.190 121.020 121.223 -0.022 0.000 2.156 471 L HA -0.058 4.285 4.340 0.005 0.000 0.208 471 L C 2.567 179.431 176.870 -0.009 0.000 1.095 471 L CA 1.260 56.090 54.840 -0.016 0.000 0.770 471 L CB -0.656 41.392 42.059 -0.018 0.000 0.914 471 L HN 0.351 nan 8.230 nan 0.000 0.439 472 A N -0.100 122.716 122.820 -0.007 0.000 2.119 472 A HA -0.142 4.181 4.320 0.005 0.000 0.217 472 A C 2.461 180.044 177.584 -0.001 0.000 1.153 472 A CA 1.345 53.381 52.037 -0.002 0.000 0.692 472 A CB -0.473 18.528 19.000 0.001 0.000 0.799 472 A HN 0.499 nan 8.150 nan 0.000 0.458 473 S N -1.515 114.183 115.700 -0.002 0.000 2.442 473 S HA 0.227 4.700 4.470 0.005 0.000 0.236 473 S C 1.643 176.243 174.600 0.001 0.000 1.007 473 S CA 1.424 59.624 58.200 -0.000 0.000 0.965 473 S CB -0.524 62.675 63.200 -0.002 0.000 0.773 473 S HN 1.885 nan 8.310 nan 0.000 0.504 474 G N 0.536 109.335 108.800 -0.001 0.000 2.195 474 G HA2 -0.219 3.744 3.960 0.005 0.000 0.246 474 G HA3 -0.219 3.744 3.960 0.005 0.000 0.246 474 G C 0.007 174.908 174.900 0.000 0.000 0.984 474 G CA 0.066 45.166 45.100 0.000 0.000 0.633 474 G HN 0.550 nan 8.290 nan 0.000 0.525 475 L N 2.179 123.403 121.223 0.000 0.000 2.514 475 L HA 0.391 4.734 4.340 0.005 0.000 0.280 475 L C 1.619 178.489 176.870 -0.000 0.000 1.223 475 L CA 0.776 55.618 54.840 0.002 0.000 0.864 475 L CB 0.466 42.527 42.059 0.003 0.000 1.118 475 L HN 0.464 nan 8.230 nan 0.000 0.494 476 T N -0.839 113.716 114.554 0.002 0.000 2.902 476 T HA 0.283 4.636 4.350 0.005 0.000 0.280 476 T C 1.263 175.958 174.700 -0.008 0.000 0.992 476 T CA -0.987 61.111 62.100 -0.003 0.000 1.015 476 T CB 1.642 70.509 68.868 -0.001 0.000 1.044 476 T HN 0.236 nan 8.240 nan 0.000 0.520 477 V N 1.485 121.386 119.914 -0.021 0.000 2.250 477 V HA -0.214 3.909 4.120 0.005 0.000 0.250 477 V C 3.038 179.114 176.094 -0.029 0.000 1.060 477 V CA 2.612 64.889 62.300 -0.039 0.000 1.030 477 V CB -1.220 30.568 31.823 -0.058 0.000 0.643 477 V HN 1.119 nan 8.190 nan 0.000 0.445 478 S N -1.054 114.634 115.700 -0.020 0.000 2.359 478 S HA -0.324 4.149 4.470 0.005 0.000 0.224 478 S C 2.043 176.658 174.600 0.025 0.000 1.035 478 S CA 2.317 60.514 58.200 -0.004 0.000 1.018 478 S CB -0.280 62.918 63.200 -0.003 0.000 0.876 478 S HN 0.718 nan 8.310 nan 0.000 0.448 479 Q N 0.147 119.962 119.800 0.026 0.000 2.050 479 Q HA -0.055 4.288 4.340 0.005 0.000 0.202 479 Q C 2.367 178.403 176.000 0.061 0.000 0.980 479 Q CA 1.806 57.634 55.803 0.041 0.000 0.840 479 Q CB -0.311 28.444 28.738 0.028 0.000 0.898 479 Q HN 0.541 nan 8.270 nan 0.000 0.424 480 L N -0.429 120.823 121.223 0.049 0.000 2.027 480 L HA -0.154 4.189 4.340 0.005 0.000 0.206 480 L C 2.350 179.304 176.870 0.139 0.000 1.074 480 L CA 0.666 55.548 54.840 0.070 0.000 0.745 480 L CB -0.455 41.624 42.059 0.034 0.000 0.898 480 L HN 0.077 nan 8.230 nan 0.000 0.433 481 V N -0.786 119.191 119.914 0.104 0.000 2.307 481 V HA -0.253 3.870 4.120 0.005 0.000 0.245 481 V C 2.589 178.884 176.094 0.336 0.000 1.045 481 V CA 2.020 64.427 62.300 0.178 0.000 1.024 481 V CB -0.350 31.457 31.823 -0.027 0.000 0.651 481 V HN 0.375 nan 8.190 nan 0.000 0.449 482 S N -0.162 115.666 115.700 0.214 0.000 2.368 482 S HA -0.208 4.265 4.470 0.005 0.000 0.225 482 S C 2.072 176.830 174.600 0.264 0.000 1.030 482 S CA 2.011 60.354 58.200 0.239 0.000 0.999 482 S CB -0.470 62.815 63.200 0.142 0.000 0.844 482 S HN 0.692 nan 8.310 nan 0.000 0.459 483 T N 2.311 116.981 114.554 0.192 0.000 2.777 483 T HA 0.011 4.364 4.350 0.005 0.000 0.266 483 T C 2.150 176.942 174.700 0.153 0.000 1.040 483 T CA 1.205 63.390 62.100 0.142 0.000 1.141 483 T CB -0.457 68.467 68.868 0.093 0.000 0.868 483 T HN 0.463 nan 8.240 nan 0.000 0.444 484 A N 1.132 124.090 122.820 0.230 0.000 1.929 484 A HA -0.051 4.272 4.320 0.005 0.000 0.216 484 A C 2.137 179.790 177.584 0.114 0.000 1.176 484 A CA 0.974 53.125 52.037 0.190 0.000 0.628 484 A CB -1.016 18.191 19.000 0.344 0.000 0.816 484 A HN 0.742 nan 8.150 nan 0.000 0.444 485 W N 0.953 122.326 121.300 0.120 0.000 2.338 485 W HA -0.215 4.447 4.660 0.004 0.000 0.304 485 W C 2.194 178.723 176.519 0.017 0.000 1.212 485 W CA 2.054 59.418 57.345 0.031 0.000 1.264 485 W CB -0.295 29.276 29.460 0.186 0.000 1.142 485 W HN 0.418 nan 8.180 nan 0.000 0.512 486 A N 0.994 123.852 122.820 0.064 0.000 1.902 486 A HA -0.101 4.222 4.320 0.005 0.000 0.217 486 A C 2.166 179.688 177.584 -0.103 0.000 1.181 486 A CA 2.737 54.766 52.037 -0.014 0.000 0.623 486 A CB -1.290 17.767 19.000 0.095 0.000 0.818 486 A HN 0.338 nan 8.150 nan 0.000 0.443 487 A N -0.358 122.408 122.820 -0.089 0.000 1.873 487 A HA 0.235 4.558 4.320 0.005 0.000 0.215 487 A C 2.489 179.974 177.584 -0.166 0.000 1.186 487 A CA 2.017 53.993 52.037 -0.101 0.000 0.616 487 A CB -0.959 18.002 19.000 -0.065 0.000 0.823 487 A HN 1.029 nan 8.150 nan 0.000 0.442 488 A N -0.016 122.641 122.820 -0.272 0.000 1.970 488 A HA 0.046 4.369 4.320 0.005 0.000 0.216 488 A C 2.247 179.583 177.584 -0.413 0.000 1.170 488 A CA 1.765 53.598 52.037 -0.341 0.000 0.645 488 A CB -0.699 18.036 19.000 -0.442 0.000 0.816 488 A HN 0.975 nan 8.150 nan 0.000 0.447 489 S N -0.106 115.195 115.700 -0.666 0.000 2.650 489 S HA -0.035 4.438 4.470 0.005 0.000 0.219 489 S C 1.407 175.807 174.600 -0.332 0.000 0.960 489 S CA 1.040 58.769 58.200 -0.785 0.000 0.925 489 S CB -1.003 61.156 63.200 -1.735 0.000 0.775 489 S HN 0.668 nan 8.310 nan 0.000 0.525 490 T N -1.564 112.898 114.554 -0.153 0.000 3.085 490 T HA 0.173 4.526 4.350 0.005 0.000 0.263 490 T C 0.287 175.003 174.700 0.027 0.000 1.127 490 T CA -0.384 61.718 62.100 0.003 0.000 1.103 490 T CB -0.772 68.161 68.868 0.108 0.000 0.921 490 T HN 0.383 nan 8.240 nan 0.000 0.510 491 F N 4.274 124.155 119.950 -0.115 0.000 2.563 491 F HA 0.326 4.856 4.527 0.004 0.000 0.363 491 F C 0.690 176.459 175.800 -0.052 0.000 1.123 491 F CA -0.972 56.986 58.000 -0.070 0.000 1.307 491 F CB 0.598 39.536 39.000 -0.103 0.000 1.115 491 F HN 0.181 nan 8.300 nan 0.000 0.592 492 R N 4.166 124.162 120.500 -0.840 0.000 2.532 492 R HA 0.481 4.824 4.340 0.005 0.000 0.297 492 R C 0.264 176.040 176.300 -0.874 0.000 0.984 492 R CA -0.474 55.280 56.100 -0.577 0.000 0.884 492 R CB 1.179 31.309 30.300 -0.284 0.000 1.182 492 R HN 0.760 nan 8.270 nan 0.000 0.442 493 G N 1.213 109.801 108.800 -0.354 0.000 2.534 493 G HA2 -0.242 3.721 3.960 0.005 0.000 0.217 493 G HA3 -0.242 3.721 3.960 0.005 0.000 0.217 493 G C 1.221 176.079 174.900 -0.069 0.000 1.128 493 G CA 0.696 45.758 45.100 -0.064 0.000 0.784 493 G HN 0.758 nan 8.290 nan 0.000 0.542 494 S N 1.638 117.271 115.700 -0.112 0.000 2.353 494 S HA -0.175 4.298 4.470 0.005 0.000 0.222 494 S C 1.637 176.231 174.600 -0.009 0.000 1.035 494 S CA 1.824 59.992 58.200 -0.054 0.000 1.025 494 S CB -0.200 62.958 63.200 -0.072 0.000 0.902 494 S HN 0.485 nan 8.310 nan 0.000 0.440 495 D N -0.377 120.004 120.400 -0.032 0.000 2.503 495 D HA 0.190 4.833 4.640 0.005 0.000 0.218 495 D C 0.062 176.333 176.300 -0.047 0.000 1.183 495 D CA -0.271 53.742 54.000 0.022 0.000 0.827 495 D CB -0.567 40.347 40.800 0.191 0.000 1.034 495 D HN 0.469 nan 8.370 nan 0.000 0.510 496 K N 0.234 120.527 120.400 -0.178 0.000 3.088 496 K HA -0.230 4.093 4.320 0.005 0.000 0.273 496 K C -0.092 176.451 176.600 -0.094 0.000 1.111 496 K CA 0.569 56.747 56.287 -0.182 0.000 0.803 496 K CB -1.265 31.295 32.500 0.100 0.000 1.226 496 K HN 0.335 nan 8.250 nan 0.000 0.485 497 R N 0.247 120.643 120.500 -0.173 0.000 2.543 497 R HA 0.502 4.845 4.340 0.005 0.000 0.268 497 R C 1.023 177.286 176.300 -0.061 0.000 1.067 497 R CA 0.293 56.374 56.100 -0.033 0.000 1.142 497 R CB 1.020 31.335 30.300 0.024 0.000 1.110 497 R HN 0.342 nan 8.270 nan 0.000 0.549 498 G N -0.367 108.484 108.800 0.086 0.000 2.725 498 G HA2 0.184 4.147 3.960 0.005 0.000 0.220 498 G HA3 0.184 4.147 3.960 0.005 0.000 0.220 498 G C -0.009 175.043 174.900 0.254 0.000 1.357 498 G CA -0.432 44.744 45.100 0.128 0.000 0.866 498 G HN 1.155 nan 8.290 nan 0.000 0.548 499 G N -2.866 106.037 108.800 0.171 0.000 2.525 499 G HA2 0.485 4.448 3.960 0.005 0.000 0.685 499 G HA3 0.485 4.448 3.960 0.005 0.000 0.685 499 G C 0.903 175.796 174.900 -0.012 0.000 1.290 499 G CA 1.001 46.151 45.100 0.083 0.000 0.915 499 G HN 2.439 nan 8.290 nan 0.000 0.548 500 A N -0.290 122.483 122.820 -0.079 0.000 2.072 500 A HA 0.298 4.621 4.320 0.005 0.000 0.216 500 A C 1.291 178.846 177.584 -0.049 0.000 1.156 500 A CA 1.549 53.539 52.037 -0.078 0.000 0.701 500 A CB -0.309 18.625 19.000 -0.110 0.000 0.816 500 A HN 1.137 nan 8.150 nan 0.000 0.458 501 N N -0.101 118.573 118.700 -0.044 0.000 2.458 501 N HA 0.306 5.049 4.740 0.005 0.000 0.258 501 N C 1.142 176.644 175.510 -0.013 0.000 1.219 501 N CA 1.592 54.624 53.050 -0.029 0.000 0.902 501 N CB 0.577 39.047 38.487 -0.028 0.000 1.076 501 N HN 0.600 nan 8.380 nan 0.000 0.455 502 G N 2.174 110.966 108.800 -0.012 0.000 2.232 502 G HA2 -0.151 3.812 3.960 0.005 0.000 0.226 502 G HA3 -0.151 3.812 3.960 0.005 0.000 0.226 502 G C 0.438 175.327 174.900 -0.018 0.000 0.996 502 G CA 0.410 45.503 45.100 -0.012 0.000 0.626 502 G HN 1.653 nan 8.290 nan 0.000 0.509 503 A N -0.596 122.211 122.820 -0.022 0.000 2.704 503 A HA -0.264 4.059 4.320 0.005 0.000 0.299 503 A C 1.509 179.064 177.584 -0.049 0.000 1.507 503 A CA 2.276 54.295 52.037 -0.030 0.000 0.776 503 A CB -1.671 17.318 19.000 -0.018 0.000 1.027 503 A HN 1.027 nan 8.150 nan 0.000 0.475 504 R N -0.761 119.703 120.500 -0.061 0.000 2.276 504 R HA 0.117 4.460 4.340 0.005 0.000 0.203 504 R C 1.924 178.135 176.300 -0.150 0.000 1.017 504 R CA 1.023 57.069 56.100 -0.090 0.000 1.010 504 R CB -0.202 30.052 30.300 -0.076 0.000 0.900 504 R HN 0.825 nan 8.270 nan 0.000 0.469 505 I N 2.034 122.522 120.570 -0.136 0.000 2.454 505 I HA -0.279 3.894 4.170 0.005 0.000 0.254 505 I C 2.355 178.383 176.117 -0.148 0.000 1.156 505 I CA 1.274 62.474 61.300 -0.167 0.000 1.433 505 I CB 0.010 37.947 38.000 -0.104 0.000 1.082 505 I HN 0.127 nan 8.210 nan 0.000 0.432 506 R N 0.428 120.866 120.500 -0.104 0.000 2.299 506 R HA 0.097 4.440 4.340 0.005 0.000 0.197 506 R C 0.349 176.595 176.300 -0.089 0.000 0.971 506 R CA 0.154 56.205 56.100 -0.081 0.000 1.030 506 R CB -0.207 30.063 30.300 -0.051 0.000 0.932 506 R HN 0.293 nan 8.270 nan 0.000 0.477 507 L N 0.910 122.063 121.223 -0.116 0.000 2.358 507 L HA 0.555 4.898 4.340 0.005 0.000 0.268 507 L C 0.259 177.041 176.870 -0.147 0.000 1.032 507 L CA -1.357 53.420 54.840 -0.104 0.000 0.805 507 L CB 1.340 43.348 42.059 -0.085 0.000 1.253 507 L HN 0.021 nan 8.230 nan 0.000 0.452 508 A N 1.655 124.411 122.820 -0.106 0.000 2.462 508 A HA 0.308 4.631 4.320 0.005 0.000 0.243 508 A C -1.749 175.759 177.584 -0.128 0.000 1.076 508 A CA -0.773 51.197 52.037 -0.111 0.000 0.773 508 A CB -0.207 18.766 19.000 -0.044 0.000 1.010 508 A HN 0.618 nan 8.150 nan 0.000 0.493 509 P HA 0.006 nan 4.420 nan 0.000 0.261 509 P C 0.780 177.635 177.300 -0.743 0.000 1.268 509 P CA 0.506 63.476 63.100 -0.216 0.000 0.833 509 P CB 0.373 32.126 31.700 0.089 0.000 1.231 510 Q N 1.242 120.443 119.800 -0.999 0.000 2.124 510 Q HA -0.157 4.186 4.340 0.005 0.000 0.202 510 Q C 2.148 177.689 176.000 -0.765 0.000 0.977 510 Q CA 1.666 56.549 55.803 -1.535 0.000 0.850 510 Q CB -0.381 27.748 28.738 -1.015 0.000 0.901 510 Q HN 0.447 nan 8.270 nan 0.000 0.429 511 K N 0.223 120.371 120.400 -0.421 0.000 2.360 511 K HA -0.134 4.189 4.320 0.005 0.000 0.201 511 K C 0.619 177.143 176.600 -0.128 0.000 1.046 511 K CA 1.559 57.722 56.287 -0.208 0.000 0.945 511 K CB 0.196 32.614 32.500 -0.137 0.000 0.750 511 K HN 0.076 nan 8.250 nan 0.000 0.464 512 D N -0.208 120.103 120.400 -0.150 0.000 2.360 512 D HA -0.004 4.639 4.640 0.005 0.000 0.210 512 D C -0.187 176.205 176.300 0.153 0.000 1.047 512 D CA 0.055 54.056 54.000 0.002 0.000 0.854 512 D CB 0.082 40.897 40.800 0.026 0.000 0.936 512 D HN 0.181 nan 8.370 nan 0.000 0.514 513 W N 2.433 123.742 121.300 0.016 0.000 2.251 513 W HA 0.111 4.778 4.660 0.012 0.000 0.327 513 W C 1.798 178.315 176.519 -0.003 0.000 1.361 513 W CA -1.035 56.319 57.345 0.016 0.000 1.234 513 W CB 0.272 29.735 29.460 0.006 0.000 1.212 513 W HN 0.072 nan 8.180 nan 0.000 0.557 514 E N 2.636 122.978 120.200 0.236 0.000 2.097 514 E HA -0.246 4.107 4.350 0.005 0.000 0.196 514 E C 2.056 178.630 176.600 -0.043 0.000 1.000 514 E CA 2.121 58.600 56.400 0.132 0.000 0.804 514 E CB 0.090 29.918 29.700 0.212 0.000 0.740 514 E HN 0.491 nan 8.360 nan 0.000 0.454 515 A N 0.982 123.647 122.820 -0.258 0.000 1.978 515 A HA -0.195 4.128 4.320 0.005 0.000 0.220 515 A C 1.745 179.224 177.584 -0.174 0.000 1.170 515 A CA 1.653 53.305 52.037 -0.640 0.000 0.636 515 A CB -0.490 18.134 19.000 -0.627 0.000 0.810 515 A HN 0.277 nan 8.150 nan 0.000 0.448 516 N N -0.040 118.677 118.700 0.028 0.000 2.461 516 N HA 0.024 4.767 4.740 0.005 0.000 0.188 516 N C -0.453 175.084 175.510 0.045 0.000 1.134 516 N CA 0.446 53.538 53.050 0.070 0.000 0.878 516 N CB -0.221 38.325 38.487 0.099 0.000 0.972 516 N HN 0.580 nan 8.380 nan 0.000 0.456 517 Q N -1.073 118.746 119.800 0.031 0.000 2.453 517 Q HA -0.159 4.184 4.340 0.005 0.000 0.350 517 Q C -1.816 174.208 176.000 0.039 0.000 1.447 517 Q CA -0.217 55.609 55.803 0.039 0.000 0.968 517 Q CB -1.120 27.641 28.738 0.039 0.000 1.175 517 Q HN 0.280 nan 8.270 nan 0.000 0.354 518 P HA -0.253 nan 4.420 nan 0.000 0.218 518 P C 1.132 178.445 177.300 0.022 0.000 1.154 518 P CA 1.361 64.478 63.100 0.028 0.000 0.872 518 P CB 0.181 31.904 31.700 0.037 0.000 0.790 519 E N -0.527 119.690 120.200 0.028 0.000 2.047 519 E HA -0.214 4.139 4.350 0.005 0.000 0.191 519 E C 2.122 178.735 176.600 0.022 0.000 0.987 519 E CA 1.070 57.485 56.400 0.024 0.000 0.799 519 E CB -0.792 28.924 29.700 0.027 0.000 0.752 519 E HN 0.437 nan 8.360 nan 0.000 0.449 520 Q N 0.552 120.368 119.800 0.026 0.000 2.084 520 Q HA -0.157 4.186 4.340 0.005 0.000 0.202 520 Q C 2.360 178.374 176.000 0.024 0.000 0.978 520 Q CA 0.896 56.715 55.803 0.026 0.000 0.844 520 Q CB -0.114 28.643 28.738 0.032 0.000 0.898 520 Q HN 0.151 nan 8.270 nan 0.000 0.426 521 L N 1.032 122.270 121.223 0.024 0.000 2.021 521 L HA -0.212 4.131 4.340 0.005 0.000 0.215 521 L C 2.285 179.160 176.870 0.008 0.000 1.074 521 L CA 2.503 57.353 54.840 0.017 0.000 0.760 521 L CB -1.046 41.018 42.059 0.009 0.000 0.889 521 L HN 0.280 nan 8.230 nan 0.000 0.433 522 A N -0.712 122.111 122.820 0.005 0.000 1.908 522 A HA -0.156 4.167 4.320 0.005 0.000 0.218 522 A C 2.448 180.035 177.584 0.004 0.000 1.181 522 A CA 2.199 54.237 52.037 0.001 0.000 0.627 522 A CB -1.249 17.752 19.000 0.003 0.000 0.818 522 A HN 0.631 nan 8.150 nan 0.000 0.445 523 A N -0.654 122.171 122.820 0.009 0.000 1.898 523 A HA 0.029 4.352 4.320 0.005 0.000 0.216 523 A C 2.245 179.834 177.584 0.009 0.000 1.181 523 A CA 1.756 53.799 52.037 0.010 0.000 0.620 523 A CB -0.949 18.058 19.000 0.012 0.000 0.819 523 A HN 0.399 nan 8.150 nan 0.000 0.442 524 V N 0.260 120.182 119.914 0.013 0.000 2.261 524 V HA -0.276 3.847 4.120 0.005 0.000 0.246 524 V C 2.578 178.677 176.094 0.008 0.000 1.047 524 V CA 2.046 64.354 62.300 0.013 0.000 1.015 524 V CB -0.877 30.959 31.823 0.022 0.000 0.642 524 V HN 0.569 nan 8.190 nan 0.000 0.446 525 L N -0.197 121.029 121.223 0.005 0.000 2.083 525 L HA -0.228 4.115 4.340 0.005 0.000 0.209 525 L C 2.607 179.476 176.870 -0.002 0.000 1.083 525 L CA 2.017 56.856 54.840 -0.001 0.000 0.752 525 L CB -0.594 41.460 42.059 -0.008 0.000 0.899 525 L HN 0.454 nan 8.230 nan 0.000 0.433 526 E N -0.163 120.037 120.200 0.000 0.000 2.058 526 E HA -0.218 4.135 4.350 0.005 0.000 0.194 526 E C 1.975 178.577 176.600 0.003 0.000 0.997 526 E CA 1.953 58.354 56.400 0.001 0.000 0.801 526 E CB 0.093 29.794 29.700 0.003 0.000 0.746 526 E HN 0.383 nan 8.360 nan 0.000 0.450 527 T N 1.219 115.775 114.554 0.003 0.000 2.777 527 T HA -0.088 4.265 4.350 0.005 0.000 0.266 527 T C 1.868 176.569 174.700 0.001 0.000 1.040 527 T CA 0.973 63.074 62.100 0.003 0.000 1.141 527 T CB -0.133 68.737 68.868 0.003 0.000 0.868 527 T HN 0.145 nan 8.240 nan 0.000 0.444 528 L N 0.636 121.858 121.223 -0.002 0.000 2.046 528 L HA -0.094 4.249 4.340 0.005 0.000 0.208 528 L C 2.702 179.569 176.870 -0.005 0.000 1.077 528 L CA 1.458 56.292 54.840 -0.008 0.000 0.747 528 L CB -0.565 41.488 42.059 -0.011 0.000 0.896 528 L HN 0.312 nan 8.230 nan 0.000 0.432 529 E N 0.110 120.309 120.200 -0.001 0.000 2.153 529 E HA -0.217 4.136 4.350 0.005 0.000 0.194 529 E C 2.261 178.867 176.600 0.010 0.000 0.988 529 E CA 1.162 57.563 56.400 0.003 0.000 0.811 529 E CB -0.139 29.561 29.700 0.001 0.000 0.746 529 E HN 0.501 nan 8.360 nan 0.000 0.466 530 A N 0.911 123.736 122.820 0.009 0.000 1.898 530 A HA -0.142 4.181 4.320 0.005 0.000 0.216 530 A C 2.151 179.749 177.584 0.024 0.000 1.181 530 A CA 0.928 52.973 52.037 0.014 0.000 0.620 530 A CB -0.457 18.550 19.000 0.011 0.000 0.819 530 A HN 0.136 nan 8.150 nan 0.000 0.442 531 I N -1.024 119.558 120.570 0.020 0.000 2.226 531 I HA -0.248 3.925 4.170 0.005 0.000 0.245 531 I C 2.739 178.891 176.117 0.059 0.000 1.100 531 I CA 1.571 62.889 61.300 0.030 0.000 1.374 531 I CB -0.324 37.677 38.000 0.002 0.000 1.057 531 I HN 0.373 nan 8.210 nan 0.000 0.413 532 R N 0.549 121.070 120.500 0.036 0.000 2.083 532 R HA -0.174 4.169 4.340 0.005 0.000 0.237 532 R C 2.291 178.651 176.300 0.100 0.000 1.137 532 R CA 2.201 58.337 56.100 0.060 0.000 0.951 532 R CB -0.340 29.973 30.300 0.022 0.000 0.851 532 R HN 0.254 nan 8.270 nan 0.000 0.434 533 T N 0.540 115.129 114.554 0.058 0.000 2.720 533 T HA -0.135 4.218 4.350 0.005 0.000 0.268 533 T C 1.747 176.477 174.700 0.050 0.000 1.037 533 T CA 1.486 63.612 62.100 0.043 0.000 1.144 533 T CB -0.246 68.635 68.868 0.023 0.000 0.864 533 T HN 0.476 nan 8.240 nan 0.000 0.444 534 A N 0.617 123.474 122.820 0.062 0.000 1.929 534 A HA 0.064 4.387 4.320 0.005 0.000 0.216 534 A C 2.001 179.626 177.584 0.068 0.000 1.176 534 A CA 1.048 53.116 52.037 0.052 0.000 0.628 534 A CB -0.863 18.168 19.000 0.051 0.000 0.816 534 A HN 0.491 nan 8.150 nan 0.000 0.444 535 F N 1.545 121.484 119.950 -0.017 0.000 2.075 535 F HA -0.203 4.327 4.527 0.004 0.000 0.297 535 F C 2.000 177.787 175.800 -0.021 0.000 1.113 535 F CA 2.134 60.124 58.000 -0.017 0.000 1.218 535 F CB -0.217 38.773 39.000 -0.017 0.000 0.984 535 F HN 0.199 nan 8.300 nan 0.000 0.472 536 N N 0.665 119.436 118.700 0.118 0.000 2.166 536 N HA -0.104 4.639 4.740 0.005 0.000 0.186 536 N C 2.122 177.576 175.510 -0.094 0.000 1.019 536 N CA 1.329 54.380 53.050 0.002 0.000 0.856 536 N CB -1.284 37.236 38.487 0.054 0.000 0.993 536 N HN 0.474 nan 8.380 nan 0.000 0.426 537 G N 0.323 109.087 108.800 -0.060 0.000 2.442 537 G HA2 -0.189 3.774 3.960 0.005 0.000 0.219 537 G HA3 -0.189 3.774 3.960 0.005 0.000 0.219 537 G C 1.387 176.225 174.900 -0.103 0.000 1.141 537 G CA 1.052 46.113 45.100 -0.064 0.000 0.763 537 G HN 0.457 nan 8.290 nan 0.000 0.554 538 A N -0.832 121.892 122.820 -0.161 0.000 2.208 538 A HA 0.288 4.611 4.320 0.005 0.000 0.209 538 A C 1.298 178.744 177.584 -0.229 0.000 1.161 538 A CA 0.282 52.210 52.037 -0.181 0.000 0.782 538 A CB 0.032 18.917 19.000 -0.192 0.000 0.816 538 A HN 0.311 nan 8.150 nan 0.000 0.477 539 Q N 0.610 120.248 119.800 -0.270 0.000 2.306 539 Q HA 0.407 4.750 4.340 0.005 0.000 0.241 539 Q C -0.204 175.717 176.000 -0.132 0.000 0.948 539 Q CA 0.039 55.694 55.803 -0.245 0.000 0.886 539 Q CB 0.785 29.366 28.738 -0.262 0.000 1.227 539 Q HN 0.272 nan 8.270 nan 0.000 0.457 540 R N -0.790 119.652 120.500 -0.098 0.000 2.902 540 R HA 0.576 4.919 4.340 0.005 0.000 0.258 540 R C 0.651 176.930 176.300 -0.035 0.000 1.071 540 R CA -0.244 55.822 56.100 -0.057 0.000 1.024 540 R CB 0.893 31.166 30.300 -0.045 0.000 1.184 540 R HN 0.861 nan 8.270 nan 0.000 0.492 541 G N -0.443 108.346 108.800 -0.019 0.000 2.148 541 G HA2 -0.257 3.706 3.960 0.005 0.000 0.254 541 G HA3 -0.257 3.706 3.960 0.005 0.000 0.254 541 G C 0.792 175.700 174.900 0.013 0.000 0.981 541 G CA 0.829 45.928 45.100 -0.001 0.000 0.670 541 G HN 1.269 nan 8.290 nan 0.000 0.528 542 G N -0.731 108.070 108.800 0.000 0.000 2.179 542 G HA2 -0.288 3.675 3.960 0.005 0.000 0.260 542 G HA3 -0.288 3.675 3.960 0.005 0.000 0.260 542 G C 0.359 175.271 174.900 0.020 0.000 0.977 542 G CA 1.368 46.474 45.100 0.010 0.000 0.641 542 G HN 1.406 nan 8.290 nan 0.000 0.533 543 K N 1.085 121.500 120.400 0.026 0.000 2.451 543 K HA 0.377 4.700 4.320 0.005 0.000 0.280 543 K C 0.689 177.289 176.600 0.001 0.000 1.020 543 K CA 0.608 56.936 56.287 0.068 0.000 1.008 543 K CB 0.057 32.606 32.500 0.083 0.000 0.917 543 K HN 0.692 nan 8.250 nan 0.000 0.478 544 Q N 1.202 120.974 119.800 -0.047 0.000 2.511 544 Q HA 0.491 4.834 4.340 0.005 0.000 0.289 544 Q C -1.693 174.341 176.000 0.057 0.000 1.021 544 Q CA -1.178 54.599 55.803 -0.043 0.000 0.785 544 Q CB 1.813 30.396 28.738 -0.259 0.000 1.472 544 Q HN 0.320 nan 8.270 nan 0.000 0.411 545 V N 1.477 121.465 119.914 0.124 0.000 2.513 545 V HA 0.541 4.664 4.120 0.005 0.000 0.299 545 V C -0.330 175.794 176.094 0.050 0.000 1.035 545 V CA -0.146 62.201 62.300 0.078 0.000 0.889 545 V CB 1.931 33.707 31.823 -0.078 0.000 0.988 545 V HN 0.962 nan 8.190 nan 0.000 0.440 546 S N 5.716 121.469 115.700 0.088 0.000 2.593 546 S HA 0.201 4.673 4.470 0.005 0.000 0.269 546 S C 0.852 175.472 174.600 0.034 0.000 1.334 546 S CA -0.231 58.008 58.200 0.066 0.000 1.015 546 S CB 1.256 64.512 63.200 0.092 0.000 0.912 546 S HN 0.813 nan 8.310 nan 0.000 0.541 547 L N 2.027 123.262 121.223 0.021 0.000 2.093 547 L HA 0.084 4.427 4.340 0.005 0.000 0.208 547 L C 2.596 179.473 176.870 0.012 0.000 1.085 547 L CA 2.157 57.001 54.840 0.007 0.000 0.755 547 L CB -1.558 40.501 42.059 0.000 0.000 0.904 547 L HN 0.967 nan 8.230 nan 0.000 0.435 548 A N -0.664 122.168 122.820 0.021 0.000 1.873 548 A HA -0.272 4.051 4.320 0.005 0.000 0.218 548 A C 2.065 179.682 177.584 0.055 0.000 1.193 548 A CA 2.130 54.180 52.037 0.022 0.000 0.629 548 A CB -0.939 18.070 19.000 0.015 0.000 0.826 548 A HN 0.491 nan 8.150 nan 0.000 0.447 549 D N -0.696 119.760 120.400 0.094 0.000 2.117 549 D HA -0.124 4.519 4.640 0.005 0.000 0.197 549 D C 1.832 178.204 176.300 0.120 0.000 0.987 549 D CA 1.303 55.432 54.000 0.215 0.000 0.829 549 D CB -0.386 40.575 40.800 0.269 0.000 0.961 549 D HN 0.312 nan 8.370 nan 0.000 0.460 550 L N 0.742 121.971 121.223 0.009 0.000 2.093 550 L HA -0.050 4.293 4.340 0.005 0.000 0.208 550 L C 2.092 178.927 176.870 -0.059 0.000 1.085 550 L CA 1.151 55.941 54.840 -0.083 0.000 0.755 550 L CB -0.517 41.493 42.059 -0.082 0.000 0.904 550 L HN 0.014 nan 8.230 nan 0.000 0.435 551 I N -1.671 118.894 120.570 -0.008 0.000 2.163 551 I HA -0.323 3.850 4.170 0.005 0.000 0.243 551 I C 2.308 178.449 176.117 0.041 0.000 1.085 551 I CA 1.413 62.721 61.300 0.013 0.000 1.347 551 I CB -0.366 37.642 38.000 0.014 0.000 1.044 551 I HN 0.073 nan 8.210 nan 0.000 0.408 552 V N 0.388 120.341 119.914 0.065 0.000 2.307 552 V HA -0.263 3.860 4.120 0.005 0.000 0.245 552 V C 2.339 178.484 176.094 0.086 0.000 1.045 552 V CA 1.572 63.947 62.300 0.125 0.000 1.024 552 V CB -0.554 31.398 31.823 0.216 0.000 0.651 552 V HN 0.344 nan 8.190 nan 0.000 0.449 553 L N 0.991 122.104 121.223 -0.184 0.000 2.012 553 L HA -0.122 4.221 4.340 0.005 0.000 0.210 553 L C 2.488 179.230 176.870 -0.213 0.000 1.073 553 L CA 2.401 56.916 54.840 -0.542 0.000 0.748 553 L CB -1.075 40.410 42.059 -0.958 0.000 0.891 553 L HN 0.239 nan 8.230 nan 0.000 0.431 554 A N -0.549 122.197 122.820 -0.123 0.000 1.892 554 A HA -0.158 4.165 4.320 0.005 0.000 0.218 554 A C 2.369 179.974 177.584 0.036 0.000 1.188 554 A CA 1.821 53.831 52.037 -0.045 0.000 0.631 554 A CB -1.659 17.326 19.000 -0.025 0.000 0.822 554 A HN 0.545 nan 8.150 nan 0.000 0.447 555 G N -1.073 107.809 108.800 0.136 0.000 2.442 555 G HA2 -0.267 3.696 3.960 0.005 0.000 0.219 555 G HA3 -0.267 3.696 3.960 0.005 0.000 0.219 555 G C 1.568 176.621 174.900 0.254 0.000 1.141 555 G CA 1.314 46.593 45.100 0.298 0.000 0.763 555 G HN 0.543 nan 8.290 nan 0.000 0.554 556 C N 0.867 120.325 119.300 0.264 0.000 2.429 556 C HA 0.183 4.646 4.460 0.005 0.000 0.277 556 C C 3.531 178.533 174.990 0.019 0.000 1.262 556 C CA 0.725 59.858 59.018 0.192 0.000 1.733 556 C CB -0.970 26.884 27.740 0.189 0.000 2.010 556 C HN 0.577 nan 8.230 nan 0.000 0.483 557 A N 0.991 123.803 122.820 -0.013 0.000 1.908 557 A HA 0.020 4.343 4.320 0.005 0.000 0.218 557 A C 2.410 179.965 177.584 -0.047 0.000 1.181 557 A CA 2.171 54.185 52.037 -0.038 0.000 0.627 557 A CB -1.290 17.680 19.000 -0.051 0.000 0.818 557 A HN 0.551 nan 8.150 nan 0.000 0.445 558 G N -0.567 108.204 108.800 -0.049 0.000 2.446 558 G HA2 -0.152 3.811 3.960 0.005 0.000 0.217 558 G HA3 -0.152 3.811 3.960 0.005 0.000 0.217 558 G C 1.513 176.329 174.900 -0.141 0.000 1.168 558 G CA 1.336 46.390 45.100 -0.078 0.000 0.771 558 G HN 0.343 nan 8.290 nan 0.000 0.551 559 V N 0.694 120.476 119.914 -0.220 0.000 2.358 559 V HA -0.156 3.967 4.120 0.005 0.000 0.246 559 V C 2.668 178.674 176.094 -0.147 0.000 1.047 559 V CA 2.164 64.296 62.300 -0.280 0.000 1.035 559 V CB -0.501 31.029 31.823 -0.489 0.000 0.658 559 V HN 0.474 nan 8.190 nan 0.000 0.452 560 E N -0.218 119.929 120.200 -0.089 0.000 2.051 560 E HA -0.314 4.039 4.350 0.005 0.000 0.192 560 E C 2.270 178.850 176.600 -0.033 0.000 0.991 560 E CA 1.528 57.904 56.400 -0.041 0.000 0.799 560 E CB -0.162 29.526 29.700 -0.020 0.000 0.748 560 E HN 0.500 nan 8.360 nan 0.000 0.449 561 Q N 0.869 120.643 119.800 -0.043 0.000 2.084 561 Q HA -0.132 4.211 4.340 0.005 0.000 0.202 561 Q C 1.947 177.925 176.000 -0.037 0.000 0.978 561 Q CA 1.851 57.635 55.803 -0.033 0.000 0.844 561 Q CB -0.378 28.339 28.738 -0.035 0.000 0.898 561 Q HN 0.252 nan 8.270 nan 0.000 0.426 562 A N 0.322 123.101 122.820 -0.068 0.000 1.908 562 A HA -0.114 4.209 4.320 0.005 0.000 0.218 562 A C 2.304 179.864 177.584 -0.040 0.000 1.181 562 A CA 2.081 54.072 52.037 -0.077 0.000 0.627 562 A CB -1.252 17.661 19.000 -0.145 0.000 0.818 562 A HN 0.533 nan 8.150 nan 0.000 0.445 563 A N -0.388 122.412 122.820 -0.034 0.000 1.902 563 A HA -0.182 4.141 4.320 0.005 0.000 0.217 563 A C 2.147 179.787 177.584 0.094 0.000 1.181 563 A CA 2.028 54.083 52.037 0.031 0.000 0.623 563 A CB -0.474 18.537 19.000 0.018 0.000 0.818 563 A HN 0.563 nan 8.150 nan 0.000 0.443 564 K N -0.332 120.096 120.400 0.047 0.000 2.026 564 K HA -0.205 4.118 4.320 0.005 0.000 0.208 564 K C 1.615 178.234 176.600 0.031 0.000 1.048 564 K CA 1.607 57.918 56.287 0.039 0.000 0.929 564 K CB -0.243 32.267 32.500 0.016 0.000 0.713 564 K HN 0.426 nan 8.250 nan 0.000 0.439 565 N N 0.616 119.328 118.700 0.020 0.000 2.192 565 N HA -0.168 4.575 4.740 0.005 0.000 0.188 565 N C 1.273 176.802 175.510 0.032 0.000 1.013 565 N CA 1.392 54.451 53.050 0.015 0.000 0.863 565 N CB -0.238 38.249 38.487 0.000 0.000 0.990 565 N HN 0.291 nan 8.380 nan 0.000 0.430 566 A N -0.535 122.328 122.820 0.071 0.000 2.275 566 A HA 0.466 4.789 4.320 0.005 0.000 0.212 566 A C 1.390 179.022 177.584 0.082 0.000 1.201 566 A CA 0.611 52.720 52.037 0.120 0.000 0.843 566 A CB -0.212 18.918 19.000 0.217 0.000 0.873 566 A HN 0.294 nan 8.150 nan 0.000 0.492 567 G N -0.752 108.060 108.800 0.021 0.000 2.132 567 G HA2 -0.192 3.771 3.960 0.005 0.000 0.234 567 G HA3 -0.192 3.771 3.960 0.005 0.000 0.234 567 G C -0.090 174.686 174.900 -0.206 0.000 0.989 567 G CA 0.210 45.255 45.100 -0.091 0.000 0.676 567 G HN 0.690 nan 8.290 nan 0.000 0.522 568 H N -0.185 118.896 119.070 0.018 0.000 2.472 568 H HA 0.636 5.195 4.556 0.005 0.000 0.338 568 H C 0.295 175.632 175.328 0.015 0.000 1.133 568 H CA 0.117 56.179 56.048 0.023 0.000 1.216 568 H CB 1.962 31.744 29.762 0.033 0.000 1.497 568 H HN 0.476 nan 8.280 nan 0.000 0.500 569 A N 3.514 126.410 122.820 0.127 0.000 2.294 569 A HA 0.483 4.806 4.320 0.005 0.000 0.316 569 A C -0.443 177.190 177.584 0.081 0.000 1.359 569 A CA -0.489 51.594 52.037 0.077 0.000 0.956 569 A CB -0.163 18.866 19.000 0.048 0.000 1.155 569 A HN 0.366 nan 8.150 nan 0.000 0.544 570 V N 2.651 122.603 119.914 0.064 0.000 2.577 570 V HA 0.438 4.561 4.120 0.005 0.000 0.303 570 V C -0.061 176.055 176.094 0.035 0.000 1.042 570 V CA -0.506 61.824 62.300 0.049 0.000 0.872 570 V CB 2.113 33.959 31.823 0.038 0.000 0.998 570 V HN 0.810 nan 8.190 nan 0.000 0.423 571 T N 3.987 118.564 114.554 0.038 0.000 2.767 571 T HA 0.527 4.880 4.350 0.005 0.000 0.284 571 T C -0.160 174.571 174.700 0.051 0.000 0.973 571 T CA -0.373 61.751 62.100 0.040 0.000 0.996 571 T CB 1.532 70.424 68.868 0.041 0.000 0.927 571 T HN 0.353 nan 8.240 nan 0.000 0.456 572 V N 6.567 126.519 119.914 0.063 0.000 2.407 572 V HA 0.301 4.424 4.120 0.005 0.000 0.278 572 V C -1.888 174.286 176.094 0.132 0.000 1.037 572 V CA -1.928 60.432 62.300 0.100 0.000 0.900 572 V CB 0.835 32.729 31.823 0.118 0.000 0.983 572 V HN 0.737 nan 8.190 nan 0.000 0.459 573 P HA 0.230 nan 4.420 nan 0.000 0.269 573 P C -1.026 176.396 177.300 0.204 0.000 1.209 573 P CA 0.041 63.212 63.100 0.119 0.000 0.776 573 P CB 0.302 32.036 31.700 0.057 0.000 0.876 574 F N 1.146 121.098 119.950 0.004 0.000 2.588 574 F HA 0.611 5.140 4.527 0.004 0.000 0.314 574 F C -1.534 174.248 175.800 -0.029 0.000 1.134 574 F CA -0.885 57.109 58.000 -0.009 0.000 0.961 574 F CB 1.533 40.534 39.000 0.002 0.000 1.239 574 F HN 0.390 nan 8.300 nan 0.000 0.448 575 A N 7.951 130.184 122.820 -0.979 0.000 2.285 575 A HA 0.730 5.053 4.320 0.005 0.000 0.310 575 A C -2.817 174.100 177.584 -1.111 0.000 1.266 575 A CA -1.638 49.935 52.037 -0.774 0.000 0.832 575 A CB 0.320 19.061 19.000 -0.431 0.000 1.163 575 A HN 0.475 nan 8.150 nan 0.000 0.499 576 P HA 0.459 nan 4.420 nan 0.000 0.275 576 P C 0.783 177.950 177.300 -0.223 0.000 1.266 576 P CA 0.991 63.863 63.100 -0.380 0.000 0.793 576 P CB 0.973 32.674 31.700 0.001 0.000 1.074 577 G N -1.039 107.702 108.800 -0.098 0.000 2.227 577 G HA2 -0.138 3.825 3.960 0.005 0.000 0.168 577 G HA3 -0.138 3.825 3.960 0.005 0.000 0.168 577 G C 0.172 175.029 174.900 -0.071 0.000 1.006 577 G CA -0.532 44.512 45.100 -0.092 0.000 0.684 577 G HN 0.523 nan 8.290 nan 0.000 0.489 578 R N 0.751 121.220 120.500 -0.051 0.000 2.643 578 R HA 0.608 4.951 4.340 0.005 0.000 0.270 578 R C 0.482 176.788 176.300 0.011 0.000 1.061 578 R CA 0.695 56.779 56.100 -0.027 0.000 1.107 578 R CB 0.860 31.150 30.300 -0.017 0.000 0.999 578 R HN 0.509 nan 8.270 nan 0.000 0.460 579 A N 1.783 124.607 122.820 0.006 0.000 2.354 579 A HA 0.371 4.694 4.320 0.005 0.000 0.321 579 A C -1.123 176.472 177.584 0.020 0.000 1.125 579 A CA -0.931 51.122 52.037 0.028 0.000 0.799 579 A CB 1.165 20.172 19.000 0.011 0.000 1.293 579 A HN 0.602 nan 8.150 nan 0.000 0.452 580 D N 1.323 121.740 120.400 0.028 0.000 2.249 580 D HA 0.514 5.157 4.640 0.005 0.000 0.246 580 D C 0.177 176.480 176.300 0.004 0.000 1.114 580 D CA 0.409 54.416 54.000 0.012 0.000 0.854 580 D CB 1.690 42.498 40.800 0.014 0.000 1.132 580 D HN 0.687 nan 8.370 nan 0.000 0.461 581 A N 1.929 124.745 122.820 -0.006 0.000 2.302 581 A HA 0.534 4.857 4.320 0.005 0.000 0.285 581 A C 0.627 178.205 177.584 -0.012 0.000 1.105 581 A CA -0.565 51.466 52.037 -0.011 0.000 0.816 581 A CB 0.581 19.572 19.000 -0.015 0.000 1.067 581 A HN 0.521 nan 8.150 nan 0.000 0.489 582 S N 0.390 116.084 115.700 -0.010 0.000 2.669 582 S HA 0.252 4.725 4.470 0.005 0.000 0.270 582 S C 0.903 175.497 174.600 -0.011 0.000 1.225 582 S CA 0.114 58.309 58.200 -0.009 0.000 0.991 582 S CB 1.029 64.226 63.200 -0.005 0.000 0.987 582 S HN 0.733 nan 8.310 nan 0.000 0.552 583 Q N 0.651 120.445 119.800 -0.010 0.000 2.096 583 Q HA -0.144 4.199 4.340 0.005 0.000 0.204 583 Q C 1.635 177.636 176.000 0.001 0.000 0.982 583 Q CA 2.230 58.028 55.803 -0.009 0.000 0.850 583 Q CB -0.575 28.158 28.738 -0.008 0.000 0.901 583 Q HN 0.881 nan 8.270 nan 0.000 0.422 584 E N -0.190 120.013 120.200 0.004 0.000 2.204 584 E HA -0.128 4.225 4.350 0.005 0.000 0.194 584 E C 1.377 177.983 176.600 0.010 0.000 0.989 584 E CA 0.960 57.366 56.400 0.010 0.000 0.824 584 E CB 0.024 29.730 29.700 0.009 0.000 0.756 584 E HN 0.478 nan 8.360 nan 0.000 0.477 585 Q N -0.207 119.594 119.800 0.002 0.000 2.373 585 Q HA 0.086 4.429 4.340 0.005 0.000 0.206 585 Q C -0.431 175.571 176.000 0.002 0.000 0.942 585 Q CA 0.467 56.268 55.803 -0.004 0.000 0.953 585 Q CB 0.565 29.294 28.738 -0.015 0.000 1.022 585 Q HN -0.013 nan 8.270 nan 0.000 0.502 586 T N 0.757 115.318 114.554 0.012 0.000 3.009 586 T HA 0.050 4.403 4.350 0.005 0.000 0.346 586 T C -1.051 173.673 174.700 0.039 0.000 1.092 586 T CA -0.747 61.365 62.100 0.020 0.000 1.080 586 T CB 0.948 69.816 68.868 0.000 0.000 1.037 586 T HN 0.019 nan 8.240 nan 0.000 0.487 587 D N 3.175 123.614 120.400 0.064 0.000 2.363 587 D HA 0.044 4.687 4.640 0.005 0.000 0.263 587 D C 1.240 177.594 176.300 0.090 0.000 1.258 587 D CA -0.010 54.041 54.000 0.085 0.000 0.907 587 D CB 1.104 41.974 40.800 0.117 0.000 1.107 587 D HN 0.186 nan 8.370 nan 0.000 0.495 588 V N 4.727 124.689 119.914 0.079 0.000 2.427 588 V HA -0.176 3.947 4.120 0.005 0.000 0.248 588 V C 2.215 178.380 176.094 0.119 0.000 1.051 588 V CA 1.288 63.639 62.300 0.085 0.000 1.048 588 V CB -0.219 31.643 31.823 0.065 0.000 0.666 588 V HN 0.531 nan 8.190 nan 0.000 0.456 589 E N -0.195 120.071 120.200 0.110 0.000 2.072 589 E HA -0.152 4.201 4.350 0.005 0.000 0.190 589 E C 2.452 179.128 176.600 0.127 0.000 0.982 589 E CA 1.475 57.944 56.400 0.115 0.000 0.803 589 E CB -0.595 29.165 29.700 0.100 0.000 0.755 589 E HN 0.516 nan 8.360 nan 0.000 0.453 590 S N 0.468 116.248 115.700 0.134 0.000 2.399 590 S HA -0.141 4.332 4.470 0.005 0.000 0.231 590 S C 1.839 176.534 174.600 0.158 0.000 1.022 590 S CA 1.067 59.355 58.200 0.146 0.000 0.983 590 S CB -0.063 63.236 63.200 0.165 0.000 0.803 590 S HN 0.081 nan 8.310 nan 0.000 0.480 591 M N 1.697 121.401 119.600 0.174 0.000 2.374 591 M HA 0.250 4.733 4.480 0.005 0.000 0.264 591 M C 1.809 178.309 176.300 0.334 0.000 1.067 591 M CA 1.030 56.472 55.300 0.236 0.000 1.103 591 M CB -0.900 31.820 32.600 0.200 0.000 1.402 591 M HN 0.328 nan 8.290 nan 0.000 0.444 592 A N -0.398 122.575 122.820 0.255 0.000 1.940 592 A HA -0.150 4.173 4.320 0.005 0.000 0.219 592 A C 2.070 179.684 177.584 0.051 0.000 1.176 592 A CA 2.187 54.347 52.037 0.204 0.000 0.631 592 A CB -1.623 17.463 19.000 0.143 0.000 0.814 592 A HN 0.631 nan 8.150 nan 0.000 0.446 593 V N -2.301 117.643 119.914 0.050 0.000 3.078 593 V HA -0.046 4.077 4.120 0.005 0.000 0.265 593 V C 1.788 177.843 176.094 -0.065 0.000 1.122 593 V CA 1.615 63.903 62.300 -0.020 0.000 1.141 593 V CB -0.845 30.978 31.823 -0.000 0.000 0.735 593 V HN 0.468 nan 8.190 nan 0.000 0.498 594 L N 0.243 121.454 121.223 -0.021 0.000 2.591 594 L HA 0.261 4.604 4.340 0.005 0.000 0.228 594 L C 1.308 177.943 176.870 -0.392 0.000 1.133 594 L CA 0.232 55.039 54.840 -0.055 0.000 0.880 594 L CB -0.290 41.866 42.059 0.161 0.000 1.033 594 L HN 0.459 nan 8.230 nan 0.000 0.450 595 E N 3.594 123.312 120.200 -0.804 0.000 2.417 595 E HA 0.047 4.400 4.350 0.005 0.000 0.261 595 E C -2.063 174.152 176.600 -0.641 0.000 1.000 595 E CA -1.648 53.860 56.400 -1.486 0.000 0.919 595 E CB 0.764 29.567 29.700 -1.494 0.000 0.955 595 E HN -0.022 nan 8.360 nan 0.000 0.455 596 P HA -0.008 nan 4.420 nan 0.000 0.280 596 P C 0.677 177.998 177.300 0.035 0.000 1.300 596 P CA -0.137 62.896 63.100 -0.111 0.000 0.785 596 P CB 1.118 32.835 31.700 0.028 0.000 0.874 597 V N 1.292 121.212 119.914 0.010 0.000 2.871 597 V HA 0.275 4.398 4.120 0.005 0.000 0.256 597 V C 0.785 176.980 176.094 0.167 0.000 1.082 597 V CA 1.018 63.389 62.300 0.118 0.000 1.105 597 V CB -0.930 30.907 31.823 0.025 0.000 0.713 597 V HN 0.511 nan 8.190 nan 0.000 0.473 598 A N 0.324 123.218 122.820 0.124 0.000 2.374 598 A HA 0.725 5.048 4.320 0.005 0.000 0.305 598 A C -1.339 176.379 177.584 0.223 0.000 1.053 598 A CA -0.220 51.906 52.037 0.149 0.000 0.726 598 A CB 1.584 20.617 19.000 0.054 0.000 1.229 598 A HN 0.293 nan 8.150 nan 0.000 0.431 599 D N 2.122 122.713 120.400 0.318 0.000 2.328 599 D HA 0.362 5.005 4.640 0.005 0.000 0.243 599 D C 1.188 177.644 176.300 0.259 0.000 1.324 599 D CA 0.381 54.588 54.000 0.345 0.000 0.966 599 D CB 0.955 42.023 40.800 0.446 0.000 1.324 599 D HN 0.534 nan 8.370 nan 0.000 0.549 600 G N 1.410 110.256 108.800 0.076 0.000 2.462 600 G HA2 -0.260 3.703 3.960 0.005 0.000 0.220 600 G HA3 -0.260 3.703 3.960 0.005 0.000 0.220 600 G C 1.232 176.033 174.900 -0.165 0.000 1.121 600 G CA 0.498 45.539 45.100 -0.097 0.000 0.758 600 G HN 0.497 nan 8.290 nan 0.000 0.559 601 F N 0.120 120.110 119.950 0.067 0.000 2.451 601 F HA 0.141 4.671 4.527 0.004 0.000 0.299 601 F C 2.612 178.288 175.800 -0.206 0.000 1.101 601 F CA 0.732 58.649 58.000 -0.139 0.000 1.436 601 F CB 0.192 39.050 39.000 -0.236 0.000 1.074 601 F HN 0.005 nan 8.300 nan 0.000 0.553 602 R N -0.226 120.362 120.500 0.148 0.000 2.509 602 R HA 0.092 4.435 4.340 0.005 0.000 0.300 602 R C 0.031 176.419 176.300 0.147 0.000 0.985 602 R CA -0.183 55.989 56.100 0.119 0.000 1.092 602 R CB -0.096 30.334 30.300 0.218 0.000 1.237 602 R HN -0.032 nan 8.270 nan 0.000 0.546 603 N N 1.074 119.839 118.700 0.108 0.000 2.714 603 N HA -0.277 4.466 4.740 0.005 0.000 0.252 603 N C -1.612 174.021 175.510 0.204 0.000 1.014 603 N CA 0.908 54.026 53.050 0.114 0.000 0.735 603 N CB -0.994 37.548 38.487 0.091 0.000 0.924 603 N HN 0.360 nan 8.380 nan 0.000 0.540 604 Y N 0.059 120.413 120.300 0.089 0.000 2.341 604 Y HA 0.662 5.216 4.550 0.006 0.000 0.338 604 Y C -0.736 175.226 175.900 0.104 0.000 0.965 604 Y CA -0.865 57.298 58.100 0.104 0.000 1.108 604 Y CB 1.013 39.550 38.460 0.129 0.000 1.180 604 Y HN 0.118 nan 8.280 nan 0.000 0.458 605 L N 7.362 128.252 121.223 -0.555 0.000 2.406 605 L HA 0.419 4.762 4.340 0.005 0.000 0.272 605 L C 0.719 177.147 176.870 -0.736 0.000 0.980 605 L CA -0.627 53.933 54.840 -0.467 0.000 0.831 605 L CB 2.171 44.114 42.059 -0.194 0.000 1.253 605 L HN 0.693 nan 8.230 nan 0.000 0.406 606 K N 1.706 121.768 120.400 -0.563 0.000 2.155 606 K HA 0.123 4.446 4.320 0.005 0.000 0.203 606 K C 0.645 177.116 176.600 -0.215 0.000 1.052 606 K CA 1.007 57.106 56.287 -0.313 0.000 0.948 606 K CB 0.374 32.898 32.500 0.040 0.000 0.728 606 K HN 0.827 nan 8.250 nan 0.000 0.448 607 G N -0.172 108.389 108.800 -0.399 0.000 2.827 607 G HA2 0.259 4.222 3.960 0.005 0.000 0.296 607 G HA3 0.259 4.222 3.960 0.005 0.000 0.296 607 G C -1.727 172.601 174.900 -0.954 0.000 1.362 607 G CA -0.708 44.042 45.100 -0.583 0.000 0.809 607 G HN -0.000 nan 8.290 nan 0.000 0.522 608 K N 0.333 120.308 120.400 -0.708 0.000 2.234 608 K HA 0.533 4.856 4.320 0.005 0.000 0.277 608 K C -1.276 175.015 176.600 -0.515 0.000 1.038 608 K CA -0.352 55.617 56.287 -0.530 0.000 0.888 608 K CB 0.676 33.026 32.500 -0.249 0.000 1.091 608 K HN 0.509 nan 8.250 nan 0.000 0.467 609 Y N 1.352 121.620 120.300 -0.053 0.000 2.621 609 Y HA 0.349 4.901 4.550 0.004 0.000 0.334 609 Y C 1.345 177.215 175.900 -0.050 0.000 1.074 609 Y CA -1.156 56.911 58.100 -0.054 0.000 1.149 609 Y CB 1.473 39.893 38.460 -0.067 0.000 1.302 609 Y HN 0.439 nan 8.280 nan 0.000 0.501 610 R N 0.057 120.638 120.500 0.135 0.000 2.240 610 R HA 0.107 4.450 4.340 0.005 0.000 0.203 610 R C -0.436 175.871 176.300 0.013 0.000 1.011 610 R CA 0.285 56.412 56.100 0.045 0.000 1.007 610 R CB 0.050 30.362 30.300 0.019 0.000 0.911 610 R HN 0.252 nan 8.270 nan 0.000 0.468 611 V N 3.962 123.882 119.914 0.010 0.000 2.461 611 V HA 0.168 4.291 4.120 0.005 0.000 0.275 611 V C -2.071 174.026 176.094 0.006 0.000 1.047 611 V CA -1.972 60.305 62.300 -0.039 0.000 0.955 611 V CB 1.160 32.916 31.823 -0.111 0.000 0.988 611 V HN 0.016 nan 8.190 nan 0.000 0.471 612 P HA 0.169 nan 4.420 nan 0.000 0.268 612 P C 0.665 177.962 177.300 -0.005 0.000 1.205 612 P CA -0.109 62.992 63.100 0.003 0.000 0.771 612 P CB 0.808 32.506 31.700 -0.003 0.000 0.858 613 A N 3.547 126.373 122.820 0.010 0.000 1.948 613 A HA -0.238 4.085 4.320 0.005 0.000 0.220 613 A C 1.874 179.434 177.584 -0.039 0.000 1.177 613 A CA 1.795 53.834 52.037 0.003 0.000 0.636 613 A CB -0.974 18.034 19.000 0.012 0.000 0.815 613 A HN 0.703 nan 8.150 nan 0.000 0.449 614 E N 0.145 120.309 120.200 -0.060 0.000 2.150 614 E HA -0.099 4.254 4.350 0.005 0.000 0.193 614 E C 1.862 178.387 176.600 -0.124 0.000 0.985 614 E CA 1.496 57.826 56.400 -0.116 0.000 0.814 614 E CB -0.862 28.751 29.700 -0.145 0.000 0.752 614 E HN 0.346 nan 8.360 nan 0.000 0.466 615 V N 1.894 121.752 119.914 -0.093 0.000 2.358 615 V HA -0.210 3.913 4.120 0.005 0.000 0.246 615 V C 2.642 178.679 176.094 -0.095 0.000 1.047 615 V CA 1.365 63.607 62.300 -0.096 0.000 1.035 615 V CB -0.502 31.268 31.823 -0.088 0.000 0.658 615 V HN 0.206 nan 8.190 nan 0.000 0.452 616 L N -0.691 120.483 121.223 -0.082 0.000 2.141 616 L HA -0.154 4.189 4.340 0.005 0.000 0.209 616 L C 2.425 179.262 176.870 -0.055 0.000 1.094 616 L CA 1.099 55.895 54.840 -0.073 0.000 0.763 616 L CB -0.567 41.458 42.059 -0.056 0.000 0.908 616 L HN 0.361 nan 8.230 nan 0.000 0.437 617 L N -0.382 120.793 121.223 -0.081 0.000 2.017 617 L HA -0.149 4.194 4.340 0.005 0.000 0.208 617 L C 2.357 179.182 176.870 -0.074 0.000 1.073 617 L CA 1.670 56.437 54.840 -0.122 0.000 0.745 617 L CB -0.372 41.569 42.059 -0.197 0.000 0.894 617 L HN -0.105 nan 8.230 nan 0.000 0.432 618 V N 0.181 120.041 119.914 -0.090 0.000 2.490 618 V HA -0.284 3.839 4.120 0.005 0.000 0.250 618 V C 2.304 178.379 176.094 -0.032 0.000 1.061 618 V CA 1.869 64.129 62.300 -0.067 0.000 1.064 618 V CB -0.833 30.920 31.823 -0.117 0.000 0.670 618 V HN 0.638 nan 8.190 nan 0.000 0.461 619 D N 0.304 120.678 120.400 -0.044 0.000 2.097 619 D HA -0.236 4.407 4.640 0.005 0.000 0.195 619 D C 2.118 178.422 176.300 0.007 0.000 0.989 619 D CA 1.512 55.486 54.000 -0.043 0.000 0.827 619 D CB -0.097 40.658 40.800 -0.074 0.000 0.966 619 D HN 0.244 nan 8.370 nan 0.000 0.456 620 K N 0.463 120.900 120.400 0.062 0.000 2.026 620 K HA 0.022 4.345 4.320 0.005 0.000 0.208 620 K C 1.908 178.654 176.600 0.243 0.000 1.048 620 K CA 1.586 57.970 56.287 0.163 0.000 0.929 620 K CB -0.873 31.786 32.500 0.264 0.000 0.713 620 K HN 0.143 nan 8.250 nan 0.000 0.439 621 A N 0.887 123.890 122.820 0.305 0.000 1.917 621 A HA -0.242 4.081 4.320 0.005 0.000 0.219 621 A C 2.247 179.902 177.584 0.118 0.000 1.182 621 A CA 1.884 54.100 52.037 0.298 0.000 0.633 621 A CB -0.733 18.441 19.000 0.289 0.000 0.819 621 A HN 0.505 nan 8.150 nan 0.000 0.448 622 Q N -0.158 119.670 119.800 0.047 0.000 2.084 622 Q HA -0.120 4.223 4.340 0.005 0.000 0.202 622 Q C 2.093 178.086 176.000 -0.011 0.000 0.978 622 Q CA 1.642 57.435 55.803 -0.017 0.000 0.844 622 Q CB -0.309 28.396 28.738 -0.055 0.000 0.898 622 Q HN 0.723 nan 8.270 nan 0.000 0.426 623 L N 0.284 121.508 121.223 0.002 0.000 2.131 623 L HA -0.156 4.187 4.340 0.005 0.000 0.210 623 L C 2.321 179.215 176.870 0.040 0.000 1.092 623 L CA 0.650 55.482 54.840 -0.013 0.000 0.759 623 L CB -0.303 41.736 42.059 -0.034 0.000 0.903 623 L HN 0.179 nan 8.230 nan 0.000 0.435 624 L N -0.156 121.110 121.223 0.072 0.000 2.610 624 L HA -0.038 4.305 4.340 0.005 0.000 0.232 624 L C 1.200 178.118 176.870 0.080 0.000 1.149 624 L CA 0.769 55.663 54.840 0.089 0.000 0.872 624 L CB -0.694 41.375 42.059 0.017 0.000 0.992 624 L HN 0.583 nan 8.230 nan 0.000 0.447 625 T N -3.336 111.257 114.554 0.065 0.000 4.595 625 T HA -0.226 4.127 4.350 0.005 0.000 0.311 625 T C -0.005 174.707 174.700 0.020 0.000 1.052 625 T CA 0.463 62.586 62.100 0.038 0.000 2.205 625 T CB -2.669 66.241 68.868 0.070 0.000 1.872 625 T HN 0.189 nan 8.240 nan 0.000 0.961 626 L N 1.891 123.132 121.223 0.030 0.000 2.350 626 L HA 0.655 4.998 4.340 0.005 0.000 0.275 626 L C 1.358 178.252 176.870 0.040 0.000 1.099 626 L CA -0.503 54.364 54.840 0.046 0.000 0.808 626 L CB 1.399 43.510 42.059 0.086 0.000 1.149 626 L HN 0.562 nan 8.230 nan 0.000 0.442 627 S N 1.392 117.138 115.700 0.077 0.000 2.655 627 S HA 0.401 4.874 4.470 0.005 0.000 0.265 627 S C 1.046 175.741 174.600 0.159 0.000 1.240 627 S CA -0.146 58.123 58.200 0.115 0.000 0.986 627 S CB 1.509 64.863 63.200 0.256 0.000 0.985 627 S HN 0.687 nan 8.310 nan 0.000 0.562 628 A N 0.960 123.947 122.820 0.278 0.000 1.877 628 A HA 0.106 4.429 4.320 0.005 0.000 0.216 628 A C -0.389 177.371 177.584 0.293 0.000 1.186 628 A CA 1.393 53.592 52.037 0.270 0.000 0.620 628 A CB -2.175 17.035 19.000 0.350 0.000 0.822 628 A HN 0.720 nan 8.150 nan 0.000 0.443 629 P HA -0.139 nan 4.420 nan 0.000 0.216 629 P C 1.144 178.571 177.300 0.211 0.000 1.150 629 P CA 1.456 64.721 63.100 0.274 0.000 0.837 629 P CB -0.073 31.774 31.700 0.245 0.000 0.786 630 E N -0.876 119.427 120.200 0.172 0.000 2.051 630 E HA -0.189 4.164 4.350 0.005 0.000 0.192 630 E C 2.016 178.700 176.600 0.141 0.000 0.991 630 E CA 1.069 57.533 56.400 0.106 0.000 0.799 630 E CB -0.547 29.198 29.700 0.075 0.000 0.748 630 E HN 0.206 nan 8.360 nan 0.000 0.449 631 M N 0.757 120.496 119.600 0.233 0.000 2.080 631 M HA -0.203 4.280 4.480 0.005 0.000 0.260 631 M C 2.055 178.576 176.300 0.369 0.000 1.068 631 M CA 1.806 57.343 55.300 0.395 0.000 1.109 631 M CB -0.218 32.615 32.600 0.388 0.000 1.342 631 M HN 0.012 nan 8.290 nan 0.000 0.405 632 T N 0.653 115.406 114.554 0.333 0.000 2.622 632 T HA -0.146 4.207 4.350 0.005 0.000 0.266 632 T C 1.763 176.548 174.700 0.142 0.000 1.047 632 T CA 2.025 64.287 62.100 0.270 0.000 1.159 632 T CB -0.639 68.466 68.868 0.395 0.000 0.863 632 T HN 0.335 nan 8.240 nan 0.000 0.422 633 V N 1.571 121.492 119.914 0.011 0.000 2.343 633 V HA -0.099 4.024 4.120 0.005 0.000 0.247 633 V C 2.415 178.621 176.094 0.186 0.000 1.051 633 V CA 1.243 63.505 62.300 -0.064 0.000 1.036 633 V CB -0.844 30.743 31.823 -0.394 0.000 0.654 633 V HN 0.284 nan 8.190 nan 0.000 0.451 634 L N -0.144 121.152 121.223 0.121 0.000 2.017 634 L HA -0.145 4.198 4.340 0.005 0.000 0.208 634 L C 2.237 179.209 176.870 0.169 0.000 1.073 634 L CA 1.906 56.830 54.840 0.139 0.000 0.745 634 L CB -0.566 41.485 42.059 -0.014 0.000 0.894 634 L HN 0.281 nan 8.230 nan 0.000 0.432 635 L N -0.940 120.336 121.223 0.089 0.000 2.027 635 L HA -0.050 4.293 4.340 0.005 0.000 0.206 635 L C 2.334 178.852 176.870 -0.586 0.000 1.074 635 L CA 1.720 56.451 54.840 -0.181 0.000 0.745 635 L CB -0.989 40.844 42.059 -0.377 0.000 0.898 635 L HN 0.379 nan 8.230 nan 0.000 0.433 636 G N -0.997 107.373 108.800 -0.717 0.000 2.440 636 G HA2 -0.249 3.714 3.960 0.005 0.000 0.218 636 G HA3 -0.249 3.714 3.960 0.005 0.000 0.218 636 G C 1.438 176.073 174.900 -0.442 0.000 1.154 636 G CA 0.664 45.123 45.100 -1.069 0.000 0.767 636 G HN 0.573 nan 8.290 nan 0.000 0.552 637 G N 0.777 109.564 108.800 -0.022 0.000 2.404 637 G HA2 -0.102 3.861 3.960 0.005 0.000 0.215 637 G HA3 -0.102 3.861 3.960 0.005 0.000 0.215 637 G C 1.812 176.513 174.900 -0.333 0.000 1.174 637 G CA 0.652 45.622 45.100 -0.217 0.000 0.780 637 G HN 0.411 nan 8.290 nan 0.000 0.537 638 L N -0.030 121.102 121.223 -0.152 0.000 2.079 638 L HA -0.089 4.254 4.340 0.005 0.000 0.210 638 L C 3.201 179.928 176.870 -0.238 0.000 1.081 638 L CA 0.795 55.531 54.840 -0.173 0.000 0.752 638 L CB -0.341 41.594 42.059 -0.208 0.000 0.896 638 L HN 0.077 nan 8.230 nan 0.000 0.433 639 R N 0.080 120.380 120.500 -0.333 0.000 2.096 639 R HA -0.157 4.186 4.340 0.005 0.000 0.240 639 R C 2.169 178.333 176.300 -0.227 0.000 1.139 639 R CA 1.924 57.831 56.100 -0.321 0.000 0.952 639 R CB -1.055 28.950 30.300 -0.492 0.000 0.854 639 R HN 0.480 nan 8.270 nan 0.000 0.436 640 V N -1.803 117.972 119.914 -0.233 0.000 3.306 640 V HA 0.052 4.175 4.120 0.005 0.000 0.264 640 V C 1.950 177.954 176.094 -0.150 0.000 1.149 640 V CA 0.969 63.168 62.300 -0.168 0.000 1.143 640 V CB -0.445 31.279 31.823 -0.165 0.000 0.767 640 V HN 0.092 nan 8.190 nan 0.000 0.476 641 L N 1.403 122.516 121.223 -0.184 0.000 2.558 641 L HA 0.463 4.806 4.340 0.005 0.000 0.225 641 L C 1.756 178.564 176.870 -0.102 0.000 1.128 641 L CA 0.787 55.529 54.840 -0.162 0.000 0.868 641 L CB -0.445 41.482 42.059 -0.221 0.000 1.006 641 L HN 0.620 nan 8.230 nan 0.000 0.454 642 G N 0.122 108.868 108.800 -0.090 0.000 2.165 642 G HA2 -0.244 3.719 3.960 0.005 0.000 0.226 642 G HA3 -0.244 3.719 3.960 0.005 0.000 0.226 642 G C 0.670 175.552 174.900 -0.029 0.000 1.035 642 G CA 0.177 45.247 45.100 -0.050 0.000 0.744 642 G HN 0.387 nan 8.290 nan 0.000 0.501 643 A N -0.609 122.182 122.820 -0.049 0.000 2.251 643 A HA 0.358 4.681 4.320 0.005 0.000 0.209 643 A C 1.135 178.719 177.584 -0.000 0.000 1.187 643 A CA 0.432 52.457 52.037 -0.019 0.000 0.823 643 A CB -0.055 18.898 19.000 -0.079 0.000 0.846 643 A HN 0.434 nan 8.150 nan 0.000 0.486 644 N N 0.439 119.134 118.700 -0.009 0.000 2.458 644 N HA 0.198 4.941 4.740 0.005 0.000 0.258 644 N C -0.111 175.437 175.510 0.063 0.000 1.219 644 N CA 0.126 53.194 53.050 0.029 0.000 0.902 644 N CB 0.806 39.304 38.487 0.019 0.000 1.076 644 N HN 0.028 nan 8.380 nan 0.000 0.455 645 V N 1.600 121.577 119.914 0.104 0.000 2.694 645 V HA 0.138 4.261 4.120 0.005 0.000 0.306 645 V C 1.544 177.700 176.094 0.104 0.000 1.054 645 V CA 1.076 63.438 62.300 0.104 0.000 1.161 645 V CB 0.350 32.256 31.823 0.138 0.000 0.916 645 V HN 0.980 nan 8.190 nan 0.000 0.490 646 G N 3.570 112.417 108.800 0.078 0.000 2.168 646 G HA2 -0.293 3.670 3.960 0.005 0.000 0.257 646 G HA3 -0.293 3.670 3.960 0.005 0.000 0.257 646 G C 0.372 175.295 174.900 0.039 0.000 0.997 646 G CA 0.325 45.463 45.100 0.064 0.000 0.708 646 G HN 0.894 nan 8.290 nan 0.000 0.520 647 Q N -1.505 118.315 119.800 0.033 0.000 2.435 647 Q HA -0.222 4.121 4.340 0.005 0.000 0.286 647 Q C 0.859 176.856 176.000 -0.004 0.000 1.229 647 Q CA 1.408 57.220 55.803 0.015 0.000 0.884 647 Q CB -1.983 26.763 28.738 0.014 0.000 1.245 647 Q HN 1.450 nan 8.270 nan 0.000 0.488 648 S N 0.019 115.714 115.700 -0.008 0.000 2.558 648 S HA 0.113 4.586 4.470 0.005 0.000 0.288 648 S C 1.271 175.827 174.600 -0.074 0.000 1.318 648 S CA -0.223 57.931 58.200 -0.078 0.000 1.056 648 S CB 0.613 63.779 63.200 -0.056 0.000 0.853 648 S HN 0.237 nan 8.310 nan 0.000 0.505 649 R N 2.558 122.984 120.500 -0.122 0.000 2.297 649 R HA 0.080 4.423 4.340 0.005 0.000 0.197 649 R C 0.075 176.422 176.300 0.077 0.000 0.943 649 R CA 0.281 56.380 56.100 -0.001 0.000 1.038 649 R CB -1.165 29.169 30.300 0.057 0.000 0.957 649 R HN 0.739 nan 8.270 nan 0.000 0.484 650 H N 0.395 119.525 119.070 0.100 0.000 3.145 650 H HA 0.105 4.664 4.556 0.005 0.000 0.288 650 H C 1.244 176.536 175.328 -0.061 0.000 0.969 650 H CA 0.552 56.661 56.048 0.100 0.000 1.444 650 H CB 0.324 30.147 29.762 0.102 0.000 1.500 650 H HN 0.418 nan 8.280 nan 0.000 0.552 651 G N 2.535 111.270 108.800 -0.108 0.000 2.184 651 G HA2 -0.317 3.646 3.960 0.005 0.000 0.264 651 G HA3 -0.317 3.646 3.960 0.005 0.000 0.264 651 G C 0.438 174.768 174.900 -0.949 0.000 0.975 651 G CA 0.269 44.853 45.100 -0.861 0.000 0.642 651 G HN 0.539 nan 8.290 nan 0.000 0.536 652 V N 2.009 121.689 119.914 -0.390 0.000 2.055 652 V HA 0.299 4.422 4.120 0.005 0.000 0.248 652 V C 0.730 176.742 176.094 -0.137 0.000 1.476 652 V CA 0.020 62.199 62.300 -0.201 0.000 1.417 652 V CB -0.932 30.876 31.823 -0.024 0.000 1.465 652 V HN 0.342 nan 8.190 nan 0.000 0.502 653 F N 1.984 121.706 119.950 -0.379 0.000 2.666 653 F HA 0.367 4.897 4.527 0.006 0.000 0.362 653 F C 0.933 176.310 175.800 -0.705 0.000 1.190 653 F CA -0.146 57.178 58.000 -1.126 0.000 1.328 653 F CB 0.258 38.522 39.000 -1.227 0.000 1.682 653 F HN 0.388 nan 8.300 nan 0.000 0.623 654 T N -0.267 114.238 114.554 -0.081 0.000 2.889 654 T HA 0.558 4.911 4.350 0.005 0.000 0.315 654 T C 0.012 174.880 174.700 0.279 0.000 1.291 654 T CA -0.242 61.927 62.100 0.114 0.000 1.028 654 T CB 1.705 70.582 68.868 0.015 0.000 1.235 654 T HN 0.222 nan 8.240 nan 0.000 0.491 655 A N 2.951 125.908 122.820 0.229 0.000 2.387 655 A HA 0.353 4.676 4.320 0.005 0.000 0.234 655 A C 0.838 178.476 177.584 0.091 0.000 1.253 655 A CA -0.225 51.910 52.037 0.163 0.000 0.894 655 A CB -0.121 18.959 19.000 0.133 0.000 0.963 655 A HN 0.675 nan 8.150 nan 0.000 0.508 656 R N 0.431 120.973 120.500 0.070 0.000 2.653 656 R HA 0.371 4.714 4.340 0.005 0.000 0.269 656 R C -0.612 175.697 176.300 0.015 0.000 1.603 656 R CA -0.419 55.703 56.100 0.036 0.000 1.671 656 R CB -0.047 30.271 30.300 0.030 0.000 1.300 656 R HN 0.335 nan 8.270 nan 0.000 0.668 657 E N 1.916 122.126 120.200 0.018 0.000 2.415 657 E HA -0.102 4.251 4.350 0.005 0.000 0.262 657 E C -0.213 176.374 176.600 -0.022 0.000 1.038 657 E CA 0.537 56.933 56.400 -0.007 0.000 0.921 657 E CB 0.476 30.180 29.700 0.006 0.000 0.950 657 E HN 0.487 nan 8.360 nan 0.000 0.438 658 Q N -1.297 118.474 119.800 -0.049 0.000 2.416 658 Q HA -0.258 4.085 4.340 0.005 0.000 0.235 658 Q C -1.053 174.913 176.000 -0.057 0.000 0.773 658 Q CA 0.641 56.408 55.803 -0.059 0.000 1.286 658 Q CB -1.767 26.947 28.738 -0.039 0.000 1.556 658 Q HN 0.477 nan 8.270 nan 0.000 0.650 659 A N 0.816 123.606 122.820 -0.050 0.000 2.318 659 A HA 0.637 4.960 4.320 0.005 0.000 0.324 659 A C -0.450 177.100 177.584 -0.057 0.000 1.170 659 A CA -0.605 51.412 52.037 -0.034 0.000 0.810 659 A CB 1.027 20.026 19.000 -0.002 0.000 1.198 659 A HN 0.191 nan 8.150 nan 0.000 0.484 660 L N 3.982 125.172 121.223 -0.055 0.000 2.385 660 L HA 0.473 4.816 4.340 0.005 0.000 0.285 660 L C 0.558 177.466 176.870 0.063 0.000 1.125 660 L CA 0.852 55.653 54.840 -0.064 0.000 0.890 660 L CB -0.378 41.590 42.059 -0.152 0.000 1.251 660 L HN 0.854 nan 8.230 nan 0.000 0.445 661 T N 0.183 114.741 114.554 0.007 0.000 2.864 661 T HA 0.411 4.764 4.350 0.005 0.000 0.289 661 T C 0.508 174.874 174.700 -0.557 0.000 1.082 661 T CA -0.473 61.575 62.100 -0.086 0.000 1.009 661 T CB 1.181 70.020 68.868 -0.049 0.000 1.234 661 T HN 0.474 nan 8.240 nan 0.000 0.526 662 N N -0.258 118.077 118.700 -0.608 0.000 2.322 662 N HA 0.068 4.811 4.740 0.005 0.000 0.216 662 N C 0.215 175.608 175.510 -0.195 0.000 1.144 662 N CA -0.136 52.499 53.050 -0.691 0.000 0.830 662 N CB -0.289 37.988 38.487 -0.349 0.000 1.034 662 N HN 0.527 nan 8.380 nan 0.000 0.484 663 D N 0.714 121.003 120.400 -0.186 0.000 2.158 663 D HA -0.171 4.472 4.640 0.005 0.000 0.197 663 D C 1.227 177.447 176.300 -0.133 0.000 0.995 663 D CA 0.695 54.635 54.000 -0.101 0.000 0.846 663 D CB -0.353 40.403 40.800 -0.073 0.000 0.941 663 D HN 0.343 nan 8.370 nan 0.000 0.456 664 F N 0.326 120.046 119.950 -0.383 0.000 2.120 664 F HA -0.267 4.263 4.527 0.005 0.000 0.300 664 F C 1.884 177.440 175.800 -0.406 0.000 1.095 664 F CA 1.543 59.247 58.000 -0.493 0.000 1.249 664 F CB -0.378 38.102 39.000 -0.866 0.000 0.995 664 F HN -0.090 nan 8.300 nan 0.000 0.480 665 F N -0.817 119.113 119.950 -0.032 0.000 2.187 665 F HA -0.092 4.438 4.527 0.005 0.000 0.295 665 F C 2.284 178.027 175.800 -0.094 0.000 1.091 665 F CA 1.086 59.059 58.000 -0.045 0.000 1.308 665 F CB -1.085 37.964 39.000 0.081 0.000 1.030 665 F HN -0.254 nan 8.300 nan 0.000 0.487 666 V N 0.535 120.508 119.914 0.098 0.000 2.295 666 V HA -0.293 3.830 4.120 0.005 0.000 0.246 666 V C 2.106 178.186 176.094 -0.023 0.000 1.049 666 V CA 2.007 64.332 62.300 0.043 0.000 1.024 666 V CB -0.628 31.217 31.823 0.038 0.000 0.648 666 V HN 0.362 nan 8.190 nan 0.000 0.447 667 N N -0.040 118.596 118.700 -0.107 0.000 2.216 667 N HA -0.098 4.645 4.740 0.005 0.000 0.183 667 N C 1.757 177.089 175.510 -0.297 0.000 1.017 667 N CA 1.227 54.172 53.050 -0.175 0.000 0.861 667 N CB -0.395 37.889 38.487 -0.338 0.000 0.986 667 N HN 0.393 nan 8.380 nan 0.000 0.428 668 L N 1.364 122.335 121.223 -0.420 0.000 2.042 668 L HA -0.068 4.275 4.340 0.005 0.000 0.210 668 L C 1.671 178.453 176.870 -0.147 0.000 1.076 668 L CA 1.545 56.133 54.840 -0.419 0.000 0.749 668 L CB -0.470 41.277 42.059 -0.519 0.000 0.893 668 L HN 0.107 nan 8.230 nan 0.000 0.432 669 L N -0.512 120.673 121.223 -0.063 0.000 2.591 669 L HA 0.089 4.432 4.340 0.005 0.000 0.228 669 L C 0.230 177.118 176.870 0.031 0.000 1.133 669 L CA -0.242 54.604 54.840 0.010 0.000 0.880 669 L CB -0.607 41.478 42.059 0.045 0.000 1.033 669 L HN 0.192 nan 8.230 nan 0.000 0.450 670 D N 0.968 121.387 120.400 0.033 0.000 2.346 670 D HA -0.036 4.607 4.640 0.005 0.000 0.260 670 D C 0.929 177.267 176.300 0.063 0.000 1.252 670 D CA 0.013 54.042 54.000 0.047 0.000 0.895 670 D CB 1.208 42.042 40.800 0.056 0.000 1.097 670 D HN -0.068 nan 8.370 nan 0.000 0.489 671 M N 3.452 123.079 119.600 0.045 0.000 2.630 671 M HA 0.122 4.605 4.480 0.005 0.000 0.254 671 M C 1.788 178.099 176.300 0.019 0.000 1.092 671 M CA 0.768 56.093 55.300 0.042 0.000 1.087 671 M CB -0.326 32.290 32.600 0.028 0.000 1.453 671 M HN 0.416 nan 8.290 nan 0.000 0.509 672 G N -0.791 108.013 108.800 0.008 0.000 2.535 672 G HA2 -0.085 3.878 3.960 0.005 0.000 0.218 672 G HA3 -0.085 3.878 3.960 0.005 0.000 0.218 672 G C 0.413 175.279 174.900 -0.056 0.000 1.122 672 G CA 0.790 45.878 45.100 -0.020 0.000 0.769 672 G HN 0.467 nan 8.290 nan 0.000 0.549 673 T N 0.058 114.577 114.554 -0.058 0.000 2.797 673 T HA 0.472 4.824 4.350 0.005 0.000 0.279 673 T C -0.720 173.859 174.700 -0.201 0.000 0.991 673 T CA -0.488 61.501 62.100 -0.186 0.000 0.979 673 T CB 2.556 71.293 68.868 -0.219 0.000 0.943 673 T HN 0.235 nan 8.240 nan 0.000 0.444 674 E N 2.101 122.132 120.200 -0.282 0.000 2.179 674 E HA 0.387 4.740 4.350 0.005 0.000 0.275 674 E C -1.356 175.057 176.600 -0.312 0.000 0.945 674 E CA -0.836 55.466 56.400 -0.163 0.000 0.792 674 E CB 1.070 30.724 29.700 -0.076 0.000 1.125 674 E HN 0.554 nan 8.360 nan 0.000 0.397 675 W N 3.354 124.669 121.300 0.024 0.000 2.573 675 W HA 0.462 5.125 4.660 0.005 0.000 0.326 675 W C -0.281 176.309 176.519 0.120 0.000 1.049 675 W CA -0.637 56.750 57.345 0.069 0.000 1.220 675 W CB 1.490 30.963 29.460 0.022 0.000 1.373 675 W HN 0.233 nan 8.180 nan 0.000 0.507 676 K N 3.520 124.154 120.400 0.390 0.000 2.498 676 K HA 0.396 4.719 4.320 0.005 0.000 0.254 676 K C -2.666 174.133 176.600 0.331 0.000 0.933 676 K CA -1.974 54.503 56.287 0.316 0.000 0.806 676 K CB 2.575 35.166 32.500 0.150 0.000 1.301 676 K HN 0.047 nan 8.250 nan 0.000 0.432 677 P HA -0.035 nan 4.420 nan 0.000 0.271 677 P C -0.240 176.989 177.300 -0.118 0.000 1.218 677 P CA -0.134 62.832 63.100 -0.223 0.000 0.780 677 P CB 0.327 31.847 31.700 -0.301 0.000 0.901 678 T N -1.080 113.373 114.554 -0.167 0.000 2.898 678 T HA 0.301 4.654 4.350 0.005 0.000 0.301 678 T C 1.521 176.175 174.700 -0.077 0.000 1.049 678 T CA -0.028 62.026 62.100 -0.077 0.000 1.095 678 T CB 0.514 69.348 68.868 -0.056 0.000 0.976 678 T HN 0.419 nan 8.240 nan 0.000 0.539 679 A N 2.031 124.827 122.820 -0.040 0.000 1.898 679 A HA 0.246 4.569 4.320 0.005 0.000 0.216 679 A C 2.626 180.187 177.584 -0.038 0.000 1.181 679 A CA 1.428 53.444 52.037 -0.034 0.000 0.620 679 A CB -1.411 17.579 19.000 -0.018 0.000 0.819 679 A HN 1.237 nan 8.150 nan 0.000 0.442 680 A N -1.629 121.171 122.820 -0.033 0.000 2.015 680 A HA 0.068 4.391 4.320 0.005 0.000 0.219 680 A C 0.756 178.313 177.584 -0.044 0.000 1.163 680 A CA 1.550 53.570 52.037 -0.028 0.000 0.646 680 A CB -0.044 18.948 19.000 -0.013 0.000 0.806 680 A HN 0.403 nan 8.150 nan 0.000 0.448 681 D N -2.554 117.803 120.400 -0.072 0.000 2.452 681 D HA 0.484 5.127 4.640 0.005 0.000 0.226 681 D C 0.430 176.619 176.300 -0.185 0.000 1.366 681 D CA 0.294 54.232 54.000 -0.103 0.000 0.986 681 D CB 1.116 41.866 40.800 -0.083 0.000 1.420 681 D HN 0.025 nan 8.370 nan 0.000 0.583 682 A N 2.932 125.644 122.820 -0.181 0.000 2.125 682 A HA -0.103 4.220 4.320 0.005 0.000 0.219 682 A C 1.242 178.573 177.584 -0.421 0.000 1.156 682 A CA 1.037 52.919 52.037 -0.259 0.000 0.671 682 A CB 0.092 19.010 19.000 -0.136 0.000 0.794 682 A HN 0.466 nan 8.150 nan 0.000 0.459 683 D N -0.849 119.372 120.400 -0.299 0.000 2.339 683 D HA 0.194 4.837 4.640 0.005 0.000 0.217 683 D C -0.125 176.012 176.300 -0.272 0.000 1.050 683 D CA 0.376 54.244 54.000 -0.220 0.000 0.856 683 D CB 0.523 41.271 40.800 -0.085 0.000 0.922 683 D HN 0.171 nan 8.370 nan 0.000 0.518 684 V N 0.951 120.602 119.914 -0.439 0.000 2.628 684 V HA 0.430 4.553 4.120 0.005 0.000 0.306 684 V C -0.588 175.231 176.094 -0.458 0.000 1.045 684 V CA -0.755 61.359 62.300 -0.309 0.000 0.905 684 V CB 1.866 33.571 31.823 -0.198 0.000 0.997 684 V HN -0.172 nan 8.190 nan 0.000 0.436 685 F N 1.357 121.365 119.950 0.097 0.000 2.563 685 F HA 0.585 5.115 4.527 0.005 0.000 0.316 685 F C 0.276 176.293 175.800 0.361 0.000 1.076 685 F CA -0.743 57.398 58.000 0.235 0.000 0.921 685 F CB 1.875 41.043 39.000 0.281 0.000 1.209 685 F HN 0.387 nan 8.300 nan 0.000 0.462 686 E N 0.614 121.085 120.200 0.452 0.000 2.171 686 E HA 0.552 4.905 4.350 0.005 0.000 0.271 686 E C -0.381 176.219 176.600 0.000 0.000 0.916 686 E CA -0.774 55.769 56.400 0.238 0.000 0.774 686 E CB 1.994 31.752 29.700 0.097 0.000 1.128 686 E HN 0.797 nan 8.360 nan 0.000 0.403 687 G N 3.199 111.720 108.800 -0.465 0.000 2.415 687 G HA2 0.384 4.347 3.960 0.005 0.000 0.317 687 G HA3 0.384 4.347 3.960 0.005 0.000 0.317 687 G C -0.385 174.107 174.900 -0.681 0.000 1.152 687 G CA -0.468 43.822 45.100 -1.351 0.000 0.956 687 G HN 0.320 nan 8.290 nan 0.000 0.458 688 R N 1.841 122.031 120.500 -0.517 0.000 2.589 688 R HA 0.243 4.586 4.340 0.005 0.000 0.293 688 R C -0.646 175.484 176.300 -0.284 0.000 0.963 688 R CA -0.913 54.995 56.100 -0.319 0.000 0.905 688 R CB 1.970 32.149 30.300 -0.201 0.000 1.144 688 R HN 0.528 nan 8.270 nan 0.000 0.459 689 D N 1.851 122.114 120.400 -0.229 0.000 2.487 689 D HA -0.061 4.582 4.640 0.005 0.000 0.243 689 D C 0.731 176.954 176.300 -0.128 0.000 1.154 689 D CA 0.557 54.454 54.000 -0.171 0.000 0.876 689 D CB 0.835 41.546 40.800 -0.148 0.000 1.161 689 D HN 0.419 nan 8.370 nan 0.000 0.478 690 R N 2.707 123.145 120.500 -0.104 0.000 2.120 690 R HA -0.142 4.201 4.340 0.005 0.000 0.234 690 R C 1.878 178.142 176.300 -0.059 0.000 1.123 690 R CA 1.467 57.523 56.100 -0.074 0.000 0.975 690 R CB 0.030 30.298 30.300 -0.053 0.000 0.866 690 R HN 0.496 nan 8.270 nan 0.000 0.446 691 A N -0.001 122.783 122.820 -0.060 0.000 1.878 691 A HA -0.094 4.229 4.320 0.005 0.000 0.213 691 A C 2.125 179.678 177.584 -0.051 0.000 1.192 691 A CA 1.639 53.647 52.037 -0.048 0.000 0.619 691 A CB -0.367 18.606 19.000 -0.045 0.000 0.837 691 A HN 0.434 nan 8.150 nan 0.000 0.446 692 T N -5.361 109.155 114.554 -0.064 0.000 3.015 692 T HA 0.406 4.759 4.350 0.005 0.000 0.250 692 T C 1.486 176.145 174.700 -0.068 0.000 1.057 692 T CA 1.193 63.255 62.100 -0.063 0.000 1.066 692 T CB 0.292 69.118 68.868 -0.070 0.000 0.959 692 T HN 1.707 nan 8.240 nan 0.000 0.488 693 G N 1.395 110.147 108.800 -0.081 0.000 2.179 693 G HA2 -0.278 3.685 3.960 0.005 0.000 0.260 693 G HA3 -0.278 3.685 3.960 0.005 0.000 0.260 693 G C -0.141 174.698 174.900 -0.101 0.000 0.977 693 G CA 0.297 45.347 45.100 -0.084 0.000 0.641 693 G HN 0.856 nan 8.290 nan 0.000 0.533 694 E N 0.164 120.296 120.200 -0.114 0.000 2.384 694 E HA 0.350 4.703 4.350 0.005 0.000 0.266 694 E C 0.438 176.934 176.600 -0.175 0.000 1.012 694 E CA -0.800 55.522 56.400 -0.130 0.000 0.901 694 E CB 0.337 29.956 29.700 -0.134 0.000 0.967 694 E HN 0.324 nan 8.360 nan 0.000 0.435 695 L N 5.256 126.382 121.223 -0.162 0.000 2.418 695 L HA 0.048 4.391 4.340 0.005 0.000 0.274 695 L C 0.436 177.135 176.870 -0.284 0.000 1.135 695 L CA 0.844 55.571 54.840 -0.189 0.000 0.870 695 L CB 0.504 42.495 42.059 -0.113 0.000 1.154 695 L HN 0.596 nan 8.230 nan 0.000 0.462 696 K N 3.591 123.740 120.400 -0.419 0.000 2.262 696 K HA 0.239 4.562 4.320 0.005 0.000 0.200 696 K C -0.804 175.287 176.600 -0.847 0.000 1.058 696 K CA 0.694 56.513 56.287 -0.779 0.000 0.974 696 K CB 0.291 32.209 32.500 -0.970 0.000 0.910 696 K HN 0.582 nan 8.250 nan 0.000 0.484 697 W N 0.108 121.341 121.300 -0.111 0.000 3.075 697 W HA 0.305 4.968 4.660 0.004 0.000 0.334 697 W C -0.839 175.804 176.519 0.207 0.000 1.243 697 W CA -1.078 56.328 57.345 0.101 0.000 1.170 697 W CB 1.034 30.575 29.460 0.136 0.000 1.452 697 W HN -0.233 nan 8.180 nan 0.000 0.572 698 T N -0.692 114.296 114.554 0.723 0.000 2.907 698 T HA 0.930 5.283 4.350 0.005 0.000 0.292 698 T C -0.457 174.744 174.700 0.835 0.000 1.043 698 T CA -0.689 61.836 62.100 0.708 0.000 1.003 698 T CB 1.969 71.186 68.868 0.582 0.000 1.084 698 T HN 0.931 nan 8.240 nan 0.000 0.483 699 G N 0.556 109.758 108.800 0.670 0.000 2.690 699 G HA2 0.666 4.629 3.960 0.005 0.000 0.291 699 G HA3 0.666 4.629 3.960 0.005 0.000 0.291 699 G C -0.397 174.639 174.900 0.227 0.000 1.403 699 G CA -0.404 44.952 45.100 0.425 0.000 0.864 699 G HN 1.064 nan 8.290 nan 0.000 0.480 700 T N -2.059 112.559 114.554 0.108 0.000 2.880 700 T HA 0.387 4.740 4.350 0.005 0.000 0.279 700 T C 1.376 176.172 174.700 0.161 0.000 0.990 700 T CA -0.591 61.578 62.100 0.114 0.000 0.938 700 T CB 1.661 70.538 68.868 0.015 0.000 1.206 700 T HN 0.439 nan 8.240 nan 0.000 0.573 701 R N -0.452 120.161 120.500 0.188 0.000 2.096 701 R HA -0.017 4.326 4.340 0.005 0.000 0.235 701 R C 2.301 178.585 176.300 -0.028 0.000 1.127 701 R CA 0.975 57.112 56.100 0.063 0.000 0.968 701 R CB -0.896 29.468 30.300 0.107 0.000 0.861 701 R HN 0.457 nan 8.270 nan 0.000 0.440 702 V N 1.616 121.536 119.914 0.010 0.000 2.427 702 V HA -0.224 3.899 4.120 0.005 0.000 0.248 702 V C 1.603 177.785 176.094 0.147 0.000 1.051 702 V CA 1.806 64.118 62.300 0.020 0.000 1.048 702 V CB -0.376 31.448 31.823 0.002 0.000 0.666 702 V HN 0.278 nan 8.190 nan 0.000 0.456 703 D N 0.128 120.601 120.400 0.121 0.000 2.084 703 D HA -0.076 4.567 4.640 0.005 0.000 0.196 703 D C 2.083 178.492 176.300 0.180 0.000 0.985 703 D CA 1.189 55.319 54.000 0.216 0.000 0.826 703 D CB -0.128 40.737 40.800 0.109 0.000 0.978 703 D HN 0.323 nan 8.370 nan 0.000 0.456 704 L N 0.841 122.003 121.223 -0.103 0.000 2.395 704 L HA -0.018 4.325 4.340 0.005 0.000 0.218 704 L C 2.440 179.175 176.870 -0.225 0.000 1.130 704 L CA 0.088 54.728 54.840 -0.333 0.000 0.826 704 L CB -0.035 41.605 42.059 -0.698 0.000 0.941 704 L HN -0.081 nan 8.230 nan 0.000 0.451 705 V N -0.158 119.661 119.914 -0.158 0.000 2.594 705 V HA -0.276 3.847 4.120 0.005 0.000 0.253 705 V C 2.117 178.086 176.094 -0.208 0.000 1.069 705 V CA 1.760 63.928 62.300 -0.220 0.000 1.082 705 V CB -0.359 31.279 31.823 -0.309 0.000 0.680 705 V HN 0.288 nan 8.190 nan 0.000 0.469 706 F N 0.802 120.752 119.950 0.000 0.000 2.451 706 F HA 0.117 4.647 4.527 0.005 0.000 0.299 706 F C 2.128 177.959 175.800 0.051 0.000 1.101 706 F CA 1.180 59.234 58.000 0.091 0.000 1.436 706 F CB -0.396 38.745 39.000 0.236 0.000 1.074 706 F HN 0.312 nan 8.300 nan 0.000 0.553 707 G N -2.198 106.643 108.800 0.068 0.000 3.159 707 G HA2 0.066 4.029 3.960 0.005 0.000 0.232 707 G HA3 0.066 4.029 3.960 0.005 0.000 0.232 707 G C 1.300 176.157 174.900 -0.071 0.000 1.116 707 G CA 0.694 45.779 45.100 -0.024 0.000 0.767 707 G HN 0.319 nan 8.290 nan 0.000 0.547 708 S N -0.930 114.724 115.700 -0.078 0.000 2.891 708 S HA 0.128 4.601 4.470 0.005 0.000 0.247 708 S C 0.729 175.283 174.600 -0.077 0.000 1.063 708 S CA -0.332 57.807 58.200 -0.101 0.000 0.857 708 S CB -0.301 62.812 63.200 -0.145 0.000 0.800 708 S HN 0.319 nan 8.310 nan 0.000 0.540 709 H N 2.711 121.696 119.070 -0.141 0.000 2.964 709 H HA 0.145 4.704 4.556 0.005 0.000 0.328 709 H C 1.484 176.758 175.328 -0.090 0.000 1.030 709 H CA 1.057 57.027 56.048 -0.131 0.000 1.445 709 H CB 1.295 30.964 29.762 -0.155 0.000 1.449 709 H HN 0.527 nan 8.280 nan 0.000 0.581 710 S N 2.841 118.322 115.700 -0.364 0.000 2.423 710 S HA -0.161 4.312 4.470 0.005 0.000 0.231 710 S C 1.830 176.418 174.600 -0.020 0.000 1.014 710 S CA 0.972 59.066 58.200 -0.177 0.000 0.965 710 S CB 0.021 63.078 63.200 -0.239 0.000 0.785 710 S HN 0.761 nan 8.310 nan 0.000 0.495 711 Q N 0.657 120.519 119.800 0.103 0.000 2.062 711 Q HA 0.150 4.493 4.340 0.005 0.000 0.196 711 Q C 2.211 178.348 176.000 0.229 0.000 0.967 711 Q CA 1.003 56.931 55.803 0.208 0.000 0.832 711 Q CB -0.187 28.737 28.738 0.310 0.000 0.899 711 Q HN 0.570 nan 8.270 nan 0.000 0.442 712 L N 0.119 121.523 121.223 0.302 0.000 2.046 712 L HA -0.181 4.162 4.340 0.005 0.000 0.208 712 L C 2.685 179.702 176.870 0.245 0.000 1.077 712 L CA 1.144 56.099 54.840 0.192 0.000 0.747 712 L CB -0.429 41.600 42.059 -0.050 0.000 0.896 712 L HN 0.218 nan 8.230 nan 0.000 0.432 713 R N 0.211 120.820 120.500 0.181 0.000 2.120 713 R HA -0.164 4.179 4.340 0.005 0.000 0.234 713 R C 2.329 178.707 176.300 0.129 0.000 1.123 713 R CA 1.281 57.473 56.100 0.153 0.000 0.975 713 R CB -0.167 30.177 30.300 0.073 0.000 0.866 713 R HN 0.353 nan 8.270 nan 0.000 0.446 714 A N 0.863 123.745 122.820 0.102 0.000 1.933 714 A HA -0.128 4.195 4.320 0.005 0.000 0.218 714 A C 2.109 179.740 177.584 0.078 0.000 1.175 714 A CA 1.106 53.184 52.037 0.069 0.000 0.628 714 A CB -0.406 18.624 19.000 0.050 0.000 0.814 714 A HN 0.302 nan 8.150 nan 0.000 0.444 715 L N -0.952 120.355 121.223 0.141 0.000 2.027 715 L HA -0.143 4.200 4.340 0.005 0.000 0.206 715 L C 3.102 180.081 176.870 0.183 0.000 1.074 715 L CA 1.050 55.993 54.840 0.172 0.000 0.745 715 L CB -0.695 41.526 42.059 0.271 0.000 0.898 715 L HN 0.408 nan 8.230 nan 0.000 0.433 716 A N 0.022 123.001 122.820 0.266 0.000 1.940 716 A HA -0.235 4.088 4.320 0.005 0.000 0.219 716 A C 2.152 179.812 177.584 0.126 0.000 1.176 716 A CA 1.748 53.955 52.037 0.285 0.000 0.631 716 A CB -0.468 18.847 19.000 0.524 0.000 0.814 716 A HN 0.467 nan 8.150 nan 0.000 0.446 717 E N -0.509 119.747 120.200 0.093 0.000 2.110 717 E HA -0.124 4.229 4.350 0.005 0.000 0.193 717 E C 1.966 178.541 176.600 -0.041 0.000 0.988 717 E CA 1.225 57.647 56.400 0.036 0.000 0.804 717 E CB -0.249 29.467 29.700 0.027 0.000 0.745 717 E HN 0.416 nan 8.360 nan 0.000 0.458 718 V N 0.344 120.187 119.914 -0.118 0.000 2.295 718 V HA -0.270 3.853 4.120 0.005 0.000 0.246 718 V C 1.731 177.613 176.094 -0.354 0.000 1.049 718 V CA 1.815 63.953 62.300 -0.271 0.000 1.024 718 V CB -0.524 31.048 31.823 -0.418 0.000 0.648 718 V HN 0.330 nan 8.190 nan 0.000 0.447 719 Y N 0.442 120.608 120.300 -0.224 0.000 2.516 719 Y HA 0.131 4.684 4.550 0.006 0.000 0.291 719 Y C 2.321 178.104 175.900 -0.195 0.000 1.131 719 Y CA 0.771 58.679 58.100 -0.320 0.000 1.281 719 Y CB -0.275 37.686 38.460 -0.832 0.000 1.013 719 Y HN 0.309 nan 8.280 nan 0.000 0.554 720 G N -0.953 107.861 108.800 0.024 0.000 3.141 720 G HA2 0.051 4.014 3.960 0.005 0.000 0.218 720 G HA3 0.051 4.014 3.960 0.005 0.000 0.218 720 G C 0.271 175.205 174.900 0.057 0.000 1.170 720 G CA -0.110 45.061 45.100 0.118 0.000 0.769 720 G HN 0.075 nan 8.290 nan 0.000 0.546 721 S N -0.491 115.219 115.700 0.018 0.000 2.632 721 S HA 0.501 4.974 4.470 0.005 0.000 0.271 721 S C 1.571 176.184 174.600 0.023 0.000 1.260 721 S CA 0.002 58.208 58.200 0.009 0.000 1.010 721 S CB 1.691 64.878 63.200 -0.021 0.000 0.965 721 S HN 0.298 nan 8.310 nan 0.000 0.534 722 A N 1.280 124.113 122.820 0.022 0.000 2.067 722 A HA -0.099 4.224 4.320 0.005 0.000 0.219 722 A C 1.420 179.024 177.584 0.034 0.000 1.158 722 A CA 1.525 53.579 52.037 0.029 0.000 0.661 722 A CB -0.463 18.551 19.000 0.023 0.000 0.801 722 A HN 0.835 nan 8.150 nan 0.000 0.452 723 D N -1.258 119.158 120.400 0.025 0.000 2.340 723 D HA 0.344 4.987 4.640 0.005 0.000 0.217 723 D C 0.901 177.225 176.300 0.041 0.000 1.081 723 D CA 0.718 54.736 54.000 0.029 0.000 0.842 723 D CB -0.063 40.745 40.800 0.012 0.000 0.934 723 D HN 0.260 nan 8.370 nan 0.000 0.511 724 A N -0.057 122.794 122.820 0.052 0.000 2.430 724 A HA 0.140 4.463 4.320 0.005 0.000 0.243 724 A C 1.865 179.553 177.584 0.172 0.000 1.254 724 A CA -0.069 52.015 52.037 0.078 0.000 0.914 724 A CB 0.027 19.042 19.000 0.025 0.000 0.998 724 A HN 0.098 nan 8.150 nan 0.000 0.515 725 Q N 0.558 120.453 119.800 0.159 0.000 2.050 725 Q HA -0.156 4.187 4.340 0.005 0.000 0.202 725 Q C 1.781 177.912 176.000 0.219 0.000 0.980 725 Q CA 2.049 57.975 55.803 0.205 0.000 0.840 725 Q CB -0.089 28.771 28.738 0.203 0.000 0.898 725 Q HN 0.567 nan 8.270 nan 0.000 0.424 726 E N 0.251 120.567 120.200 0.193 0.000 2.072 726 E HA -0.185 4.168 4.350 0.005 0.000 0.191 726 E C 1.830 178.499 176.600 0.115 0.000 0.985 726 E CA 1.027 57.514 56.400 0.143 0.000 0.801 726 E CB -0.194 29.599 29.700 0.156 0.000 0.750 726 E HN 0.381 nan 8.360 nan 0.000 0.452 727 K N 0.232 120.717 120.400 0.142 0.000 2.044 727 K HA -0.201 4.122 4.320 0.005 0.000 0.210 727 K C 2.192 178.938 176.600 0.242 0.000 1.049 727 K CA 1.451 57.832 56.287 0.157 0.000 0.927 727 K CB -0.366 32.206 32.500 0.121 0.000 0.713 727 K HN 0.040 nan 8.250 nan 0.000 0.443 728 F N 1.279 121.350 119.950 0.203 0.000 2.095 728 F HA -0.236 4.294 4.527 0.005 0.000 0.298 728 F C 1.802 177.652 175.800 0.083 0.000 1.104 728 F CA 1.566 59.682 58.000 0.193 0.000 1.232 728 F CB -0.522 38.575 39.000 0.162 0.000 0.987 728 F HN -0.173 nan 8.300 nan 0.000 0.475 729 V N 1.377 121.226 119.914 -0.108 0.000 2.295 729 V HA -0.295 3.828 4.120 0.005 0.000 0.246 729 V C 2.670 178.665 176.094 -0.166 0.000 1.049 729 V CA 2.172 64.317 62.300 -0.259 0.000 1.024 729 V CB -0.697 30.960 31.823 -0.276 0.000 0.648 729 V HN 0.289 nan 8.190 nan 0.000 0.447 730 R N 0.148 120.606 120.500 -0.070 0.000 2.075 730 R HA -0.113 4.230 4.340 0.005 0.000 0.232 730 R C 1.948 178.229 176.300 -0.031 0.000 1.126 730 R CA 1.477 57.563 56.100 -0.024 0.000 0.963 730 R CB -1.005 29.304 30.300 0.016 0.000 0.858 730 R HN 0.520 nan 8.270 nan 0.000 0.435 731 D N 0.222 120.603 120.400 -0.031 0.000 2.144 731 D HA -0.138 4.505 4.640 0.005 0.000 0.199 731 D C 1.636 177.859 176.300 -0.130 0.000 0.984 731 D CA 0.740 54.721 54.000 -0.032 0.000 0.834 731 D CB -0.357 40.487 40.800 0.074 0.000 0.955 731 D HN 0.107 nan 8.370 nan 0.000 0.465 732 F N 1.213 120.926 119.950 -0.396 0.000 2.102 732 F HA -0.197 4.332 4.527 0.004 0.000 0.298 732 F C 2.159 177.866 175.800 -0.156 0.000 1.105 732 F CA 0.984 58.747 58.000 -0.394 0.000 1.239 732 F CB -0.239 38.336 39.000 -0.708 0.000 0.991 732 F HN -0.213 nan 8.300 nan 0.000 0.474 733 V N 0.604 120.494 119.914 -0.041 0.000 2.332 733 V HA -0.337 3.786 4.120 0.005 0.000 0.248 733 V C 2.730 178.805 176.094 -0.031 0.000 1.055 733 V CA 1.816 64.115 62.300 -0.003 0.000 1.038 733 V CB -1.582 30.263 31.823 0.036 0.000 0.651 733 V HN 0.502 nan 8.190 nan 0.000 0.450 734 A N -0.595 122.188 122.820 -0.062 0.000 1.877 734 A HA -0.183 4.140 4.320 0.005 0.000 0.216 734 A C 2.467 179.993 177.584 -0.096 0.000 1.186 734 A CA 2.148 54.152 52.037 -0.056 0.000 0.620 734 A CB -0.766 18.212 19.000 -0.038 0.000 0.822 734 A HN 0.352 nan 8.150 nan 0.000 0.443 735 V N -0.652 119.167 119.914 -0.158 0.000 2.453 735 V HA -0.172 3.951 4.120 0.005 0.000 0.247 735 V C 2.049 178.016 176.094 -0.212 0.000 1.048 735 V CA 1.859 64.050 62.300 -0.182 0.000 1.049 735 V CB -0.491 31.221 31.823 -0.186 0.000 0.672 735 V HN 0.790 nan 8.190 nan 0.000 0.457 736 W N 1.199 122.187 121.300 -0.520 0.000 2.317 736 W HA -0.329 4.333 4.660 0.003 0.000 0.318 736 W C 2.250 178.646 176.519 -0.203 0.000 1.227 736 W CA 2.422 59.516 57.345 -0.419 0.000 1.269 736 W CB -0.641 28.505 29.460 -0.522 0.000 1.155 736 W HN 0.508 nan 8.180 nan 0.000 0.484 737 N N 0.952 119.604 118.700 -0.079 0.000 2.166 737 N HA -0.257 4.486 4.740 0.005 0.000 0.186 737 N C 1.910 177.285 175.510 -0.225 0.000 1.019 737 N CA 2.463 55.434 53.050 -0.132 0.000 0.856 737 N CB -0.677 37.798 38.487 -0.019 0.000 0.993 737 N HN 0.195 nan 8.380 nan 0.000 0.426 738 K N -0.113 120.166 120.400 -0.202 0.000 2.009 738 K HA -0.118 4.205 4.320 0.005 0.000 0.210 738 K C 1.667 178.088 176.600 -0.298 0.000 1.049 738 K CA 1.604 57.760 56.287 -0.219 0.000 0.929 738 K CB -0.240 32.161 32.500 -0.164 0.000 0.714 738 K HN 0.051 nan 8.250 nan 0.000 0.440 739 V N 1.374 121.089 119.914 -0.331 0.000 2.343 739 V HA -0.256 3.867 4.120 0.005 0.000 0.247 739 V C 2.460 178.275 176.094 -0.466 0.000 1.051 739 V CA 1.537 63.605 62.300 -0.388 0.000 1.036 739 V CB -0.392 31.214 31.823 -0.362 0.000 0.654 739 V HN 0.423 nan 8.190 nan 0.000 0.451 740 M N 0.300 119.584 119.600 -0.527 0.000 2.267 740 M HA -0.103 4.380 4.480 0.005 0.000 0.263 740 M C 1.367 177.453 176.300 -0.357 0.000 1.063 740 M CA 1.419 56.448 55.300 -0.451 0.000 1.090 740 M CB -1.272 31.079 32.600 -0.414 0.000 1.392 740 M HN 0.383 nan 8.290 nan 0.000 0.422 741 N N 0.025 118.505 118.700 -0.367 0.000 2.235 741 N HA 0.196 4.939 4.740 0.005 0.000 0.209 741 N C 1.523 176.726 175.510 -0.512 0.000 1.122 741 N CA 0.081 52.903 53.050 -0.380 0.000 0.845 741 N CB 0.141 38.436 38.487 -0.321 0.000 1.004 741 N HN 0.338 nan 8.380 nan 0.000 0.499 742 L N 0.641 121.499 121.223 -0.608 0.000 2.131 742 L HA -0.171 4.172 4.340 0.005 0.000 0.210 742 L C 1.257 177.326 176.870 -1.334 0.000 1.092 742 L CA 1.297 55.561 54.840 -0.960 0.000 0.759 742 L CB -0.127 41.277 42.059 -1.092 0.000 0.903 742 L HN 0.135 nan 8.230 nan 0.000 0.435 743 D N -1.576 118.286 120.400 -0.897 0.000 2.342 743 D HA -0.063 4.580 4.640 0.005 0.000 0.221 743 D C 0.757 176.816 176.300 -0.401 0.000 1.101 743 D CA -0.073 53.632 54.000 -0.493 0.000 0.837 743 D CB -0.019 40.766 40.800 -0.025 0.000 0.938 743 D HN -0.004 nan 8.370 nan 0.000 0.508 744 R N 0.846 120.994 120.500 -0.586 0.000 4.496 744 R HA 0.186 4.529 4.340 0.005 0.000 0.211 744 R C 0.079 176.147 176.300 -0.388 0.000 1.738 744 R CA -0.358 55.512 56.100 -0.383 0.000 1.528 744 R CB -1.203 28.894 30.300 -0.339 0.000 1.414 744 R HN 0.245 nan 8.270 nan 0.000 0.812 745 F N 0.806 120.700 119.950 -0.093 0.000 2.502 745 F HA -0.129 4.401 4.527 0.004 0.000 0.298 745 F C 2.060 177.824 175.800 -0.060 0.000 1.111 745 F CA 0.759 58.724 58.000 -0.058 0.000 1.445 745 F CB 0.069 39.058 39.000 -0.019 0.000 1.081 745 F HN 0.260 nan 8.300 nan 0.000 0.558 746 D N 0.880 121.317 120.400 0.061 0.000 2.221 746 D HA -0.195 4.448 4.640 0.005 0.000 0.204 746 D C 1.725 178.004 176.300 -0.034 0.000 0.982 746 D CA 1.301 55.301 54.000 0.001 0.000 0.857 746 D CB -0.618 40.161 40.800 -0.035 0.000 0.934 746 D HN 0.344 nan 8.370 nan 0.000 0.475 747 L N -0.048 121.133 121.223 -0.070 0.000 2.416 747 L HA 0.289 4.632 4.340 0.005 0.000 0.216 747 L C 1.732 178.564 176.870 -0.063 0.000 1.098 747 L CA -0.064 54.724 54.840 -0.086 0.000 0.840 747 L CB -0.200 41.778 42.059 -0.135 0.000 0.981 747 L HN -0.023 nan 8.230 nan 0.000 0.462 748 A N 0.000 122.795 122.820 -0.041 0.000 2.254 748 A HA 0.000 4.323 4.320 0.005 0.000 0.244 748 A CA 0.000 52.038 52.037 0.001 0.000 0.836 748 A CB 0.000 19.042 19.000 0.070 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486