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 2ooe_1_A DATA FIRST_RESID 20 DATA SEQUENCE MAEKKLEENP YDLDAWSILI REAQNQPIDK ARKTYERLVA QFPSSGRFWK DATA SEQUENCE LYIEAEIKAK NYDKVEKLFQ RCLMKVLHID LWKCYLSYVR ETKGKLPSYK DATA SEQUENCE EKMAQAYDFA LDKIGMEIMS YQIWVDYINF LKGVEAVGSY AENQRITAVR DATA SEQUENCE RVYQRGCVNP MINIEQLWRD YNKYEEGINI HLAKKMIEDR SRDYMNARRV DATA SEQUENCE AKEYETVMKG LDRNAPSVPP QXXPQEAQQV DMWKKYIQWE KSNPLRTEDQ DATA SEQUENCE TLITKRVMFA YEQCLLVLGH HPDIWYEAAQ YLEQSSKLLA EKGDMNNAKL DATA SEQUENCE FSDEAANIYE RAISTLLKKN MLLYFAYADY EESRMKYEKV HSIYNRLLAI DATA SEQUENCE EDIDPTLVYI QYMKFARRAE GIKSGRMIFK KAREDARTRH HVYVTAALME DATA SEQUENCE YYCSKDKSVA FKIFELGLKK YGDIPEYVLA YIDYLSHLNE DNNTRVLFER DATA SEQUENCE VLTSGSLPPE KSGEIWARFL AFESNIGDLA SILKVEKRRF TAFREEYEGK DATA SEQUENCE ETALLVDRYK FMDLYPCSAS ELKALGYKDV 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 20 M HA 0.000 nan 4.480 nan 0.000 0.227 20 M C 0.000 176.246 176.300 -0.089 0.000 1.140 20 M CA 0.000 55.258 55.300 -0.070 0.000 0.988 20 M CB 0.000 32.558 32.600 -0.071 0.000 1.302 21 A N 1.049 123.804 122.820 -0.109 0.000 1.902 21 A HA -0.076 4.245 4.320 0.001 0.000 0.217 21 A C 1.608 179.076 177.584 -0.194 0.000 1.181 21 A CA 1.586 53.535 52.037 -0.146 0.000 0.623 21 A CB -0.252 18.651 19.000 -0.162 0.000 0.818 21 A HN 0.879 nan 8.150 nan 0.000 0.443 22 E N 0.067 120.154 120.200 -0.187 0.000 2.118 22 E HA -0.208 4.142 4.350 0.001 0.000 0.195 22 E C 1.901 178.405 176.600 -0.160 0.000 0.992 22 E CA 1.064 57.343 56.400 -0.202 0.000 0.804 22 E CB -0.264 29.341 29.700 -0.157 0.000 0.741 22 E HN 0.449 nan 8.360 nan 0.000 0.458 23 K N 1.657 121.985 120.400 -0.120 0.000 2.002 23 K HA -0.136 4.185 4.320 0.001 0.000 0.209 23 K C 1.904 178.450 176.600 -0.089 0.000 1.048 23 K CA 1.223 57.457 56.287 -0.089 0.000 0.930 23 K CB -0.169 32.290 32.500 -0.068 0.000 0.714 23 K HN 0.061 nan 8.250 nan 0.000 0.438 24 K N 0.592 120.934 120.400 -0.097 0.000 2.113 24 K HA -0.145 4.176 4.320 0.001 0.000 0.208 24 K C 2.229 178.770 176.600 -0.100 0.000 1.047 24 K CA 1.379 57.617 56.287 -0.083 0.000 0.928 24 K CB -0.218 32.230 32.500 -0.086 0.000 0.716 24 K HN 0.176 nan 8.250 nan 0.000 0.446 25 L N 0.868 121.990 121.223 -0.169 0.000 2.217 25 L HA -0.121 4.220 4.340 0.001 0.000 0.211 25 L C 2.122 178.919 176.870 -0.121 0.000 1.107 25 L CA 0.947 55.668 54.840 -0.198 0.000 0.783 25 L CB -0.349 41.492 42.059 -0.362 0.000 0.919 25 L HN 0.228 nan 8.230 nan 0.000 0.442 26 E N -0.039 120.101 120.200 -0.101 0.000 2.077 26 E HA -0.249 4.102 4.350 0.001 0.000 0.193 26 E C 1.753 178.329 176.600 -0.040 0.000 0.989 26 E CA 1.228 57.589 56.400 -0.067 0.000 0.800 26 E CB 0.122 29.787 29.700 -0.058 0.000 0.746 26 E HN 0.341 nan 8.360 nan 0.000 0.452 27 E N 1.230 121.409 120.200 -0.035 0.000 1.999 27 E HA -0.073 4.278 4.350 0.001 0.000 0.198 27 E C 0.407 177.013 176.600 0.009 0.000 0.960 27 E CA 0.590 56.984 56.400 -0.010 0.000 0.870 27 E CB -0.088 29.608 29.700 -0.007 0.000 0.827 27 E HN -0.067 nan 8.360 nan 0.000 0.511 28 N N 0.690 119.405 118.700 0.024 0.000 2.415 28 N HA 0.126 4.867 4.740 0.001 0.000 0.246 28 N C -2.245 173.308 175.510 0.072 0.000 1.078 28 N CA -1.668 51.427 53.050 0.075 0.000 0.942 28 N CB 1.130 39.679 38.487 0.103 0.000 1.140 28 N HN -0.013 nan 8.380 nan 0.000 0.501 29 P HA -0.109 nan 4.420 nan 0.000 0.218 29 P C 0.030 177.354 177.300 0.041 0.000 1.148 29 P CA 1.347 64.426 63.100 -0.036 0.000 0.822 29 P CB 0.000 31.614 31.700 -0.144 0.000 0.784 30 Y N -1.360 119.092 120.300 0.253 0.000 2.495 30 Y HA 0.102 4.652 4.550 0.001 0.000 0.293 30 Y C 0.819 176.994 175.900 0.459 0.000 1.186 30 Y CA -0.567 57.773 58.100 0.399 0.000 1.266 30 Y CB -0.640 37.929 38.460 0.182 0.000 1.101 30 Y HN -0.100 nan 8.280 nan 0.000 0.517 31 D N 1.354 121.989 120.400 0.393 0.000 2.368 31 D HA -0.043 4.597 4.640 0.001 0.000 0.268 31 D C 1.065 177.602 176.300 0.396 0.000 1.298 31 D CA 0.510 54.667 54.000 0.262 0.000 0.938 31 D CB 0.647 41.486 40.800 0.064 0.000 1.101 31 D HN 0.369 nan 8.370 nan 0.000 0.509 32 L N 3.156 124.615 121.223 0.394 0.000 2.201 32 L HA -0.134 4.206 4.340 0.001 0.000 0.212 32 L C 1.972 178.986 176.870 0.240 0.000 1.105 32 L CA 0.562 55.628 54.840 0.377 0.000 0.775 32 L CB -0.127 42.089 42.059 0.260 0.000 0.913 32 L HN 0.361 nan 8.230 nan 0.000 0.440 33 D N 0.487 120.975 120.400 0.147 0.000 2.084 33 D HA -0.184 4.456 4.640 0.001 0.000 0.194 33 D C 2.224 178.539 176.300 0.025 0.000 0.990 33 D CA 1.681 55.724 54.000 0.072 0.000 0.826 33 D CB 0.094 40.919 40.800 0.042 0.000 0.971 33 D HN 0.313 nan 8.370 nan 0.000 0.453 34 A N 0.565 123.359 122.820 -0.043 0.000 1.865 34 A HA -0.193 4.127 4.320 0.001 0.000 0.217 34 A C 2.223 179.701 177.584 -0.178 0.000 1.191 34 A CA 1.522 53.451 52.037 -0.180 0.000 0.623 34 A CB -1.427 17.365 19.000 -0.346 0.000 0.826 34 A HN 0.344 nan 8.150 nan 0.000 0.444 35 W N 0.970 122.247 121.300 -0.039 0.000 2.321 35 W HA -0.235 4.426 4.660 0.001 0.000 0.306 35 W C 2.966 179.402 176.519 -0.138 0.000 1.217 35 W CA 1.904 59.184 57.345 -0.108 0.000 1.257 35 W CB -0.305 29.070 29.460 -0.142 0.000 1.145 35 W HN 0.517 nan 8.180 nan 0.000 0.509 36 S N -0.159 115.623 115.700 0.136 0.000 2.423 36 S HA -0.167 4.303 4.470 0.001 0.000 0.231 36 S C 1.555 176.171 174.600 0.028 0.000 1.014 36 S CA 1.245 59.485 58.200 0.066 0.000 0.965 36 S CB -0.757 62.484 63.200 0.068 0.000 0.785 36 S HN 0.310 nan 8.310 nan 0.000 0.495 37 I N 1.344 121.915 120.570 0.003 0.000 2.193 37 I HA -0.088 4.082 4.170 0.001 0.000 0.240 37 I C 2.407 178.499 176.117 -0.041 0.000 1.084 37 I CA 1.019 62.303 61.300 -0.028 0.000 1.365 37 I CB -0.400 37.566 38.000 -0.056 0.000 1.064 37 I HN 0.260 nan 8.210 nan 0.000 0.410 38 L N 0.536 121.724 121.223 -0.058 0.000 2.079 38 L HA -0.245 4.095 4.340 0.001 0.000 0.210 38 L C 2.494 179.341 176.870 -0.038 0.000 1.081 38 L CA 1.576 56.376 54.840 -0.068 0.000 0.752 38 L CB -0.570 41.449 42.059 -0.067 0.000 0.896 38 L HN 0.267 nan 8.230 nan 0.000 0.433 39 I N -0.919 119.656 120.570 0.009 0.000 2.439 39 I HA -0.212 3.959 4.170 0.001 0.000 0.251 39 I C 2.779 178.910 176.117 0.024 0.000 1.139 39 I CA 0.874 62.191 61.300 0.028 0.000 1.438 39 I CB -0.311 37.693 38.000 0.006 0.000 1.085 39 I HN 0.192 nan 8.210 nan 0.000 0.427 40 R N 1.167 121.672 120.500 0.007 0.000 2.081 40 R HA -0.172 4.169 4.340 0.001 0.000 0.235 40 R C 1.857 178.151 176.300 -0.009 0.000 1.131 40 R CA 1.674 57.778 56.100 0.006 0.000 0.960 40 R CB -0.184 30.116 30.300 0.000 0.000 0.856 40 R HN 0.564 nan 8.270 nan 0.000 0.436 41 E N -0.265 119.914 120.200 -0.034 0.000 2.479 41 E HA 0.088 4.439 4.350 0.001 0.000 0.193 41 E C 1.481 178.033 176.600 -0.080 0.000 1.049 41 E CA 0.434 56.803 56.400 -0.052 0.000 0.870 41 E CB 0.240 29.902 29.700 -0.063 0.000 0.944 41 E HN 0.184 nan 8.360 nan 0.000 0.492 42 A N 2.426 125.194 122.820 -0.086 0.000 2.019 42 A HA -0.233 4.087 4.320 0.001 0.000 0.219 42 A C 2.303 179.821 177.584 -0.109 0.000 1.164 42 A CA 1.625 53.552 52.037 -0.184 0.000 0.644 42 A CB -0.370 18.547 19.000 -0.138 0.000 0.805 42 A HN 0.393 nan 8.150 nan 0.000 0.449 43 Q N -1.079 118.716 119.800 -0.008 0.000 2.297 43 Q HA 0.015 4.356 4.340 0.001 0.000 0.203 43 Q C 0.358 176.352 176.000 -0.009 0.000 0.931 43 Q CA 0.893 56.710 55.803 0.022 0.000 0.885 43 Q CB -0.657 28.112 28.738 0.051 0.000 0.991 43 Q HN 0.527 nan 8.270 nan 0.000 0.498 44 N N 2.551 121.237 118.700 -0.023 0.000 2.654 44 N HA -0.056 4.684 4.740 0.001 0.000 0.204 44 N C -0.493 174.993 175.510 -0.040 0.000 1.446 44 N CA 0.513 53.547 53.050 -0.026 0.000 0.895 44 N CB -0.050 38.420 38.487 -0.029 0.000 1.132 44 N HN 0.472 nan 8.380 nan 0.000 0.462 45 Q N -2.476 117.295 119.800 -0.048 0.000 2.527 45 Q HA 0.478 4.819 4.340 0.001 0.000 0.280 45 Q C -3.265 172.701 176.000 -0.057 0.000 0.977 45 Q CA -1.891 53.876 55.803 -0.061 0.000 0.837 45 Q CB 0.967 29.650 28.738 -0.091 0.000 1.454 45 Q HN -0.153 nan 8.270 nan 0.000 0.387 46 P HA 0.046 nan 4.420 nan 0.000 0.267 46 P C 0.443 177.714 177.300 -0.049 0.000 1.200 46 P CA -0.339 62.740 63.100 -0.036 0.000 0.772 46 P CB 0.447 32.128 31.700 -0.032 0.000 0.855 47 I N 1.743 122.302 120.570 -0.019 0.000 2.761 47 I HA -0.233 3.937 4.170 0.001 0.000 0.266 47 I C 1.142 177.242 176.117 -0.028 0.000 1.239 47 I CA 1.624 62.923 61.300 -0.002 0.000 1.451 47 I CB -0.519 37.503 38.000 0.037 0.000 1.096 47 I HN 0.311 nan 8.210 nan 0.000 0.465 48 D N -0.267 120.109 120.400 -0.040 0.000 2.213 48 D HA -0.143 4.498 4.640 0.001 0.000 0.205 48 D C 1.916 178.170 176.300 -0.076 0.000 0.961 48 D CA 0.702 54.677 54.000 -0.042 0.000 0.853 48 D CB 0.115 40.897 40.800 -0.031 0.000 0.967 48 D HN 0.414 nan 8.370 nan 0.000 0.496 49 K N 0.845 121.185 120.400 -0.100 0.000 2.242 49 K HA 0.093 4.414 4.320 0.001 0.000 0.200 49 K C 1.995 178.465 176.600 -0.217 0.000 1.050 49 K CA 0.452 56.661 56.287 -0.131 0.000 0.981 49 K CB 0.299 32.732 32.500 -0.112 0.000 0.795 49 K HN -0.079 nan 8.250 nan 0.000 0.477 50 A N 1.893 124.547 122.820 -0.278 0.000 1.855 50 A HA -0.160 4.160 4.320 0.001 0.000 0.215 50 A C 2.079 179.252 177.584 -0.684 0.000 1.191 50 A CA 1.403 53.107 52.037 -0.556 0.000 0.613 50 A CB -0.641 18.029 19.000 -0.550 0.000 0.829 50 A HN 0.398 nan 8.150 nan 0.000 0.442 51 R N 0.296 120.571 120.500 -0.375 0.000 2.178 51 R HA -0.271 4.069 4.340 0.001 0.000 0.257 51 R C 1.936 178.050 176.300 -0.310 0.000 1.163 51 R CA 2.282 58.211 56.100 -0.286 0.000 0.981 51 R CB -0.354 29.908 30.300 -0.063 0.000 0.878 51 R HN 0.579 nan 8.270 nan 0.000 0.454 52 K N -0.901 119.354 120.400 -0.242 0.000 2.057 52 K HA -0.079 4.241 4.320 0.001 0.000 0.207 52 K C 2.075 178.555 176.600 -0.200 0.000 1.049 52 K CA 2.001 58.184 56.287 -0.174 0.000 0.931 52 K CB -0.092 32.326 32.500 -0.137 0.000 0.714 52 K HN 0.223 nan 8.250 nan 0.000 0.440 53 T N 0.382 114.752 114.554 -0.306 0.000 2.896 53 T HA -0.063 4.287 4.350 0.001 0.000 0.263 53 T C 1.634 176.208 174.700 -0.210 0.000 1.050 53 T CA 0.941 62.889 62.100 -0.252 0.000 1.140 53 T CB -0.252 68.416 68.868 -0.334 0.000 0.877 53 T HN 0.261 nan 8.240 nan 0.000 0.457 54 Y N 1.533 121.610 120.300 -0.372 0.000 2.163 54 Y HA -0.102 4.449 4.550 0.001 0.000 0.288 54 Y C 2.884 178.498 175.900 -0.475 0.000 1.136 54 Y CA 0.354 58.120 58.100 -0.557 0.000 1.147 54 Y CB -0.066 37.735 38.460 -1.099 0.000 0.987 54 Y HN 0.112 nan 8.280 nan 0.000 0.509 55 E N 0.509 120.556 120.200 -0.255 0.000 2.097 55 E HA -0.259 4.091 4.350 0.001 0.000 0.196 55 E C 2.115 178.673 176.600 -0.071 0.000 1.000 55 E CA 1.093 57.446 56.400 -0.079 0.000 0.804 55 E CB -0.369 29.326 29.700 -0.007 0.000 0.740 55 E HN 0.401 nan 8.360 nan 0.000 0.454 56 R N 0.417 120.892 120.500 -0.041 0.000 2.105 56 R HA -0.159 4.182 4.340 0.001 0.000 0.239 56 R C 2.445 178.733 176.300 -0.019 0.000 1.135 56 R CA 0.949 57.078 56.100 0.050 0.000 0.967 56 R CB -0.253 30.135 30.300 0.146 0.000 0.861 56 R HN 0.107 nan 8.270 nan 0.000 0.442 57 L N -0.026 121.100 121.223 -0.160 0.000 2.007 57 L HA -0.112 4.228 4.340 0.001 0.000 0.205 57 L C 2.155 178.849 176.870 -0.293 0.000 1.073 57 L CA 1.643 56.189 54.840 -0.489 0.000 0.744 57 L CB -0.426 41.333 42.059 -0.500 0.000 0.898 57 L HN 0.115 nan 8.230 nan 0.000 0.435 58 V N -1.836 117.895 119.914 -0.305 0.000 2.490 58 V HA -0.173 3.947 4.120 0.001 0.000 0.250 58 V C 2.533 178.530 176.094 -0.162 0.000 1.061 58 V CA 1.442 63.496 62.300 -0.409 0.000 1.064 58 V CB -2.175 28.977 31.823 -1.118 0.000 0.670 58 V HN 0.475 nan 8.190 nan 0.000 0.461 59 A N -0.115 122.634 122.820 -0.118 0.000 2.070 59 A HA -0.204 4.116 4.320 0.001 0.000 0.220 59 A C 2.245 179.792 177.584 -0.060 0.000 1.159 59 A CA 2.008 54.026 52.037 -0.033 0.000 0.656 59 A CB -0.405 18.585 19.000 -0.015 0.000 0.800 59 A HN 0.647 nan 8.150 nan 0.000 0.453 60 Q N -2.063 117.642 119.800 -0.159 0.000 2.349 60 Q HA 0.186 4.526 4.340 0.001 0.000 0.209 60 Q C -0.474 175.209 176.000 -0.527 0.000 0.920 60 Q CA 0.736 56.309 55.803 -0.383 0.000 0.901 60 Q CB 0.194 28.550 28.738 -0.636 0.000 1.021 60 Q HN 0.496 nan 8.270 nan 0.000 0.519 61 F N 0.092 120.028 119.950 -0.023 0.000 2.542 61 F HA 0.404 4.931 4.527 0.001 0.000 0.323 61 F C -2.043 173.841 175.800 0.141 0.000 1.411 61 F CA -2.261 55.814 58.000 0.124 0.000 1.124 61 F CB 1.393 40.527 39.000 0.223 0.000 1.331 61 F HN 0.057 nan 8.300 nan 0.000 0.560 62 P HA -0.180 nan 4.420 nan 0.000 0.217 62 P C 1.351 178.954 177.300 0.505 0.000 1.148 62 P CA 1.507 64.858 63.100 0.419 0.000 0.828 62 P CB 0.131 31.997 31.700 0.276 0.000 0.783 63 S N -2.896 112.999 115.700 0.325 0.000 2.597 63 S HA 0.156 4.626 4.470 0.001 0.000 0.224 63 S C 0.897 175.623 174.600 0.210 0.000 0.955 63 S CA -0.347 57.999 58.200 0.243 0.000 0.933 63 S CB -0.711 62.579 63.200 0.150 0.000 0.788 63 S HN -0.061 nan 8.310 nan 0.000 0.488 64 S N 1.390 117.230 115.700 0.233 0.000 2.955 64 S HA 0.492 4.962 4.470 0.001 0.000 0.294 64 S C 1.464 176.087 174.600 0.039 0.000 1.198 64 S CA -0.246 57.940 58.200 -0.024 0.000 1.008 64 S CB -0.304 62.650 63.200 -0.411 0.000 1.279 64 S HN 0.560 nan 8.310 nan 0.000 0.508 65 G N 4.002 112.798 108.800 -0.005 0.000 2.475 65 G HA2 -0.263 3.698 3.960 0.001 0.000 0.220 65 G HA3 -0.263 3.698 3.960 0.001 0.000 0.220 65 G C 1.460 176.186 174.900 -0.291 0.000 1.125 65 G CA 0.781 45.819 45.100 -0.104 0.000 0.755 65 G HN 0.669 nan 8.290 nan 0.000 0.565 66 R N -0.751 119.465 120.500 -0.474 0.000 2.070 66 R HA -0.066 4.274 4.340 0.001 0.000 0.233 66 R C 2.265 178.523 176.300 -0.070 0.000 1.137 66 R CA 1.428 57.333 56.100 -0.325 0.000 0.945 66 R CB -0.372 29.704 30.300 -0.372 0.000 0.845 66 R HN 0.320 nan 8.270 nan 0.000 0.430 67 F N -0.494 119.371 119.950 -0.141 0.000 2.146 67 F HA -0.122 4.406 4.527 0.001 0.000 0.298 67 F C 2.082 177.763 175.800 -0.199 0.000 1.096 67 F CA 0.354 58.230 58.000 -0.207 0.000 1.275 67 F CB -1.336 37.493 39.000 -0.285 0.000 1.008 67 F HN 0.108 nan 8.300 nan 0.000 0.480 68 W N 0.884 122.225 121.300 0.067 0.000 2.321 68 W HA -0.202 4.459 4.660 0.001 0.000 0.306 68 W C 2.623 179.074 176.519 -0.112 0.000 1.217 68 W CA 1.731 59.059 57.345 -0.028 0.000 1.257 68 W CB -0.499 28.916 29.460 -0.075 0.000 1.145 68 W HN -0.073 nan 8.180 nan 0.000 0.509 69 K N 0.100 120.564 120.400 0.108 0.000 2.057 69 K HA -0.185 4.136 4.320 0.001 0.000 0.207 69 K C 1.905 178.476 176.600 -0.048 0.000 1.049 69 K CA 1.434 57.731 56.287 0.016 0.000 0.931 69 K CB -0.593 31.920 32.500 0.021 0.000 0.714 69 K HN 0.171 nan 8.250 nan 0.000 0.440 70 L N -0.172 121.004 121.223 -0.079 0.000 2.043 70 L HA -0.266 4.074 4.340 0.001 0.000 0.212 70 L C 2.422 179.046 176.870 -0.410 0.000 1.075 70 L CA 1.623 56.343 54.840 -0.201 0.000 0.752 70 L CB -0.603 41.318 42.059 -0.232 0.000 0.891 70 L HN 0.349 nan 8.230 nan 0.000 0.432 71 Y N 0.554 120.463 120.300 -0.652 0.000 2.145 71 Y HA -0.268 4.282 4.550 0.001 0.000 0.286 71 Y C 2.627 178.321 175.900 -0.342 0.000 1.145 71 Y CA 1.286 58.956 58.100 -0.717 0.000 1.148 71 Y CB 0.118 38.286 38.460 -0.487 0.000 0.981 71 Y HN 0.032 nan 8.280 nan 0.000 0.507 72 I N 0.371 120.859 120.570 -0.136 0.000 2.142 72 I HA -0.304 3.867 4.170 0.001 0.000 0.240 72 I C 2.271 178.312 176.117 -0.126 0.000 1.078 72 I CA 1.326 62.474 61.300 -0.255 0.000 1.343 72 I CB -0.472 37.283 38.000 -0.409 0.000 1.046 72 I HN 0.284 nan 8.210 nan 0.000 0.405 73 E N 0.981 121.139 120.200 -0.071 0.000 2.160 73 E HA -0.222 4.128 4.350 0.001 0.000 0.195 73 E C 2.245 178.846 176.600 0.001 0.000 0.991 73 E CA 1.424 57.818 56.400 -0.011 0.000 0.810 73 E CB -0.258 29.447 29.700 0.008 0.000 0.742 73 E HN 0.535 nan 8.360 nan 0.000 0.466 74 A N 1.718 124.533 122.820 -0.007 0.000 1.855 74 A HA -0.179 4.141 4.320 0.001 0.000 0.215 74 A C 2.092 179.720 177.584 0.073 0.000 1.191 74 A CA 1.212 53.287 52.037 0.064 0.000 0.613 74 A CB -0.284 18.802 19.000 0.143 0.000 0.829 74 A HN 0.062 nan 8.150 nan 0.000 0.442 75 E N -0.550 119.699 120.200 0.081 0.000 2.077 75 E HA -0.171 4.180 4.350 0.001 0.000 0.193 75 E C 1.876 178.444 176.600 -0.053 0.000 0.989 75 E CA 1.141 57.563 56.400 0.037 0.000 0.800 75 E CB -0.384 29.332 29.700 0.026 0.000 0.746 75 E HN 0.626 nan 8.360 nan 0.000 0.452 76 I N 1.358 121.897 120.570 -0.051 0.000 2.454 76 I HA -0.233 3.938 4.170 0.001 0.000 0.254 76 I C 2.346 178.439 176.117 -0.041 0.000 1.156 76 I CA 1.161 62.436 61.300 -0.042 0.000 1.433 76 I CB 0.045 38.080 38.000 0.059 0.000 1.082 76 I HN -0.052 nan 8.210 nan 0.000 0.432 77 K N 0.657 121.050 120.400 -0.012 0.000 2.103 77 K HA -0.029 4.291 4.320 0.001 0.000 0.204 77 K C 1.748 178.329 176.600 -0.031 0.000 1.052 77 K CA 1.145 57.434 56.287 0.003 0.000 0.945 77 K CB -0.112 32.403 32.500 0.026 0.000 0.722 77 K HN 0.352 nan 8.250 nan 0.000 0.443 78 A N 0.996 123.785 122.820 -0.052 0.000 2.276 78 A HA 0.065 4.386 4.320 0.001 0.000 0.212 78 A C 0.122 177.614 177.584 -0.153 0.000 1.230 78 A CA 0.294 52.291 52.037 -0.067 0.000 0.844 78 A CB -0.177 18.803 19.000 -0.035 0.000 0.860 78 A HN 0.368 nan 8.150 nan 0.000 0.486 79 K N -0.301 119.928 120.400 -0.285 0.000 3.130 79 K HA -0.141 4.180 4.320 0.001 0.000 0.282 79 K C -0.516 175.699 176.600 -0.641 0.000 1.145 79 K CA 1.036 56.971 56.287 -0.586 0.000 0.831 79 K CB -2.140 30.225 32.500 -0.225 0.000 1.226 79 K HN 0.641 nan 8.250 nan 0.000 0.478 80 N N 0.800 119.244 118.700 -0.427 0.000 3.331 80 N HA 0.090 4.831 4.740 0.001 0.000 0.303 80 N C 0.489 175.902 175.510 -0.161 0.000 1.326 80 N CA -0.084 52.838 53.050 -0.213 0.000 1.207 80 N CB -0.112 38.321 38.487 -0.089 0.000 1.477 80 N HN 0.300 nan 8.380 nan 0.000 0.541 81 Y N 0.799 121.153 120.300 0.090 0.000 2.283 81 Y HA -0.287 4.263 4.550 0.001 0.000 0.285 81 Y C 2.228 178.205 175.900 0.128 0.000 1.176 81 Y CA 1.107 59.296 58.100 0.149 0.000 1.229 81 Y CB -0.020 38.543 38.460 0.171 0.000 0.975 81 Y HN 0.343 nan 8.280 nan 0.000 0.537 82 D N 0.564 121.078 120.400 0.189 0.000 2.123 82 D HA -0.158 4.482 4.640 0.001 0.000 0.200 82 D C 1.386 177.726 176.300 0.067 0.000 0.976 82 D CA 1.301 55.379 54.000 0.130 0.000 0.831 82 D CB -0.459 40.398 40.800 0.095 0.000 0.974 82 D HN 0.310 nan 8.370 nan 0.000 0.469 83 K N 0.418 120.833 120.400 0.025 0.000 2.217 83 K HA 0.011 4.332 4.320 0.001 0.000 0.202 83 K C 2.351 178.892 176.600 -0.099 0.000 1.051 83 K CA 0.364 56.639 56.287 -0.020 0.000 0.952 83 K CB 0.185 32.681 32.500 -0.006 0.000 0.736 83 K HN 0.026 nan 8.250 nan 0.000 0.453 84 V N 1.825 121.675 119.914 -0.106 0.000 2.237 84 V HA -0.269 3.852 4.120 0.001 0.000 0.245 84 V C 2.382 178.305 176.094 -0.286 0.000 1.046 84 V CA 2.120 64.258 62.300 -0.269 0.000 1.007 84 V CB -0.370 31.324 31.823 -0.215 0.000 0.638 84 V HN 0.399 nan 8.190 nan 0.000 0.445 85 E N -0.038 120.105 120.200 -0.095 0.000 2.130 85 E HA -0.313 4.038 4.350 0.001 0.000 0.196 85 E C 2.073 178.683 176.600 0.016 0.000 0.998 85 E CA 1.669 58.102 56.400 0.054 0.000 0.806 85 E CB -0.068 29.753 29.700 0.200 0.000 0.738 85 E HN 0.369 nan 8.360 nan 0.000 0.459 86 K N 0.328 120.707 120.400 -0.035 0.000 2.026 86 K HA -0.041 4.279 4.320 0.001 0.000 0.208 86 K C 2.039 178.575 176.600 -0.106 0.000 1.048 86 K CA 1.260 57.520 56.287 -0.045 0.000 0.929 86 K CB -0.469 32.013 32.500 -0.030 0.000 0.713 86 K HN 0.198 nan 8.250 nan 0.000 0.439 87 L N -0.672 120.423 121.223 -0.214 0.000 2.079 87 L HA -0.182 4.159 4.340 0.001 0.000 0.210 87 L C 2.172 178.826 176.870 -0.359 0.000 1.081 87 L CA 1.313 55.980 54.840 -0.288 0.000 0.752 87 L CB -0.390 41.368 42.059 -0.501 0.000 0.896 87 L HN 0.142 nan 8.230 nan 0.000 0.433 88 F N 0.031 119.804 119.950 -0.294 0.000 2.113 88 F HA -0.248 4.279 4.527 0.001 0.000 0.297 88 F C 2.715 178.296 175.800 -0.365 0.000 1.103 88 F CA 1.074 58.854 58.000 -0.367 0.000 1.248 88 F CB -0.239 38.559 39.000 -0.337 0.000 0.999 88 F HN 0.050 nan 8.300 nan 0.000 0.475 89 Q N -0.278 119.489 119.800 -0.055 0.000 2.368 89 Q HA -0.167 4.173 4.340 0.001 0.000 0.210 89 Q C 1.943 177.857 176.000 -0.145 0.000 0.982 89 Q CA 0.908 56.653 55.803 -0.097 0.000 0.884 89 Q CB -0.121 28.586 28.738 -0.052 0.000 0.933 89 Q HN 0.368 nan 8.270 nan 0.000 0.460 90 R N -0.902 119.470 120.500 -0.215 0.000 2.223 90 R HA 0.026 4.367 4.340 0.001 0.000 0.198 90 R C 1.871 177.854 176.300 -0.528 0.000 0.984 90 R CA 1.193 57.135 56.100 -0.265 0.000 1.018 90 R CB 0.458 30.668 30.300 -0.149 0.000 0.945 90 R HN 0.455 nan 8.270 nan 0.000 0.479 91 C N -3.159 115.705 119.300 -0.727 0.000 3.685 91 C HA 0.263 4.724 4.460 0.001 0.000 0.513 91 C C 2.005 176.694 174.990 -0.502 0.000 1.448 91 C CA -0.624 57.843 59.018 -0.919 0.000 2.275 91 C CB -0.751 25.779 27.740 -2.017 0.000 3.373 91 C HN 0.192 nan 8.230 nan 0.000 0.627 92 L N 1.651 122.631 121.223 -0.404 0.000 2.021 92 L HA -0.108 4.233 4.340 0.001 0.000 0.215 92 L C 2.552 179.325 176.870 -0.161 0.000 1.074 92 L CA 2.405 56.979 54.840 -0.443 0.000 0.760 92 L CB -0.535 41.098 42.059 -0.710 0.000 0.889 92 L HN 0.276 nan 8.230 nan 0.000 0.433 93 M N -1.017 118.553 119.600 -0.049 0.000 2.156 93 M HA -0.153 4.327 4.480 0.001 0.000 0.264 93 M C 2.103 178.464 176.300 0.102 0.000 1.067 93 M CA 1.504 56.882 55.300 0.131 0.000 1.131 93 M CB -0.889 31.770 32.600 0.098 0.000 1.368 93 M HN 0.242 nan 8.290 nan 0.000 0.416 94 K N -0.080 120.317 120.400 -0.004 0.000 2.439 94 K HA 0.062 4.383 4.320 0.001 0.000 0.197 94 K C 0.021 176.639 176.600 0.030 0.000 1.041 94 K CA 0.409 56.697 56.287 0.002 0.000 0.970 94 K CB 0.272 32.740 32.500 -0.053 0.000 0.773 94 K HN 0.126 nan 8.250 nan 0.000 0.479 95 V N 2.066 122.006 119.914 0.042 0.000 2.482 95 V HA 0.161 4.282 4.120 0.001 0.000 0.295 95 V C -0.121 176.144 176.094 0.285 0.000 1.026 95 V CA -0.505 61.861 62.300 0.111 0.000 0.856 95 V CB 1.804 33.652 31.823 0.041 0.000 1.001 95 V HN 0.111 nan 8.190 nan 0.000 0.424 96 L N 4.354 125.725 121.223 0.248 0.000 2.934 96 L HA 0.325 4.666 4.340 0.001 0.000 0.233 96 L C 0.397 177.416 176.870 0.249 0.000 1.358 96 L CA -0.167 54.828 54.840 0.259 0.000 1.233 96 L CB -0.668 41.466 42.059 0.126 0.000 1.594 96 L HN 0.670 nan 8.230 nan 0.000 0.439 97 H N 0.178 119.418 119.070 0.283 0.000 2.646 97 H HA 0.086 4.643 4.556 0.001 0.000 0.325 97 H C 1.201 176.707 175.328 0.298 0.000 1.075 97 H CA -0.183 56.000 56.048 0.225 0.000 1.421 97 H CB 1.095 30.967 29.762 0.183 0.000 1.461 97 H HN 0.103 nan 8.280 nan 0.000 0.525 98 I N 3.699 124.182 120.570 -0.146 0.000 2.264 98 I HA -0.259 3.911 4.170 0.001 0.000 0.248 98 I C 0.981 177.242 176.117 0.241 0.000 1.111 98 I CA 1.521 62.853 61.300 0.053 0.000 1.382 98 I CB -0.375 37.609 38.000 -0.027 0.000 1.060 98 I HN 0.804 nan 8.210 nan 0.000 0.418 99 D N -0.027 120.594 120.400 0.369 0.000 2.123 99 D HA -0.148 4.493 4.640 0.001 0.000 0.200 99 D C 2.101 178.647 176.300 0.411 0.000 0.976 99 D CA 0.604 54.864 54.000 0.433 0.000 0.831 99 D CB -0.284 40.796 40.800 0.467 0.000 0.974 99 D HN 0.209 nan 8.370 nan 0.000 0.469 100 L N 0.117 121.632 121.223 0.487 0.000 2.043 100 L HA -0.160 4.181 4.340 0.001 0.000 0.212 100 L C 1.935 178.949 176.870 0.241 0.000 1.075 100 L CA 1.655 56.671 54.840 0.293 0.000 0.752 100 L CB -0.861 41.330 42.059 0.220 0.000 0.891 100 L HN 0.070 nan 8.230 nan 0.000 0.432 101 W N 0.160 121.570 121.300 0.184 0.000 2.388 101 W HA -0.096 4.564 4.660 0.001 0.000 0.294 101 W C 2.534 179.126 176.519 0.122 0.000 1.212 101 W CA 1.225 58.640 57.345 0.116 0.000 1.271 101 W CB -0.275 29.198 29.460 0.021 0.000 1.126 101 W HN 0.040 nan 8.180 nan 0.000 0.535 102 K N -0.740 119.854 120.400 0.324 0.000 2.211 102 K HA -0.154 4.167 4.320 0.001 0.000 0.203 102 K C 2.078 178.783 176.600 0.175 0.000 1.050 102 K CA 1.205 57.621 56.287 0.215 0.000 0.945 102 K CB -0.763 31.853 32.500 0.193 0.000 0.732 102 K HN 0.206 nan 8.250 nan 0.000 0.451 103 C N 0.627 120.060 119.300 0.221 0.000 2.462 103 C HA -0.155 4.306 4.460 0.001 0.000 0.278 103 C C 2.576 177.708 174.990 0.237 0.000 1.253 103 C CA 0.625 59.791 59.018 0.247 0.000 1.713 103 C CB -0.911 27.014 27.740 0.308 0.000 2.049 103 C HN 0.567 nan 8.230 nan 0.000 0.477 104 Y N 1.410 121.690 120.300 -0.034 0.000 2.193 104 Y HA -0.126 4.424 4.550 0.001 0.000 0.285 104 Y C 2.071 177.829 175.900 -0.238 0.000 1.166 104 Y CA 1.849 59.629 58.100 -0.535 0.000 1.181 104 Y CB -0.607 37.275 38.460 -0.964 0.000 0.976 104 Y HN 0.339 nan 8.280 nan 0.000 0.520 105 L N -1.049 120.006 121.223 -0.280 0.000 2.141 105 L HA -0.208 4.132 4.340 0.001 0.000 0.209 105 L C 2.502 179.192 176.870 -0.299 0.000 1.094 105 L CA 1.356 55.960 54.840 -0.392 0.000 0.763 105 L CB -0.588 41.371 42.059 -0.166 0.000 0.908 105 L HN 0.172 nan 8.230 nan 0.000 0.437 106 S N -0.910 114.727 115.700 -0.105 0.000 2.357 106 S HA -0.206 4.264 4.470 0.001 0.000 0.221 106 S C 1.864 176.437 174.600 -0.045 0.000 1.031 106 S CA 0.941 59.123 58.200 -0.031 0.000 0.982 106 S CB -0.350 62.894 63.200 0.072 0.000 0.853 106 S HN 0.491 nan 8.310 nan 0.000 0.458 107 Y N 2.343 122.581 120.300 -0.103 0.000 2.298 107 Y HA -0.148 4.402 4.550 0.001 0.000 0.287 107 Y C 1.797 177.585 175.900 -0.187 0.000 1.164 107 Y CA 0.950 59.022 58.100 -0.047 0.000 1.229 107 Y CB -0.379 38.164 38.460 0.137 0.000 0.977 107 Y HN 0.047 nan 8.280 nan 0.000 0.538 108 V N 0.438 119.968 119.914 -0.640 0.000 2.500 108 V HA -0.124 3.996 4.120 0.001 0.000 0.243 108 V C 2.490 178.353 176.094 -0.385 0.000 1.039 108 V CA 1.634 63.517 62.300 -0.694 0.000 1.053 108 V CB -0.592 30.785 31.823 -0.743 0.000 0.695 108 V HN 0.249 nan 8.190 nan 0.000 0.463 109 R N -0.185 120.140 120.500 -0.291 0.000 2.139 109 R HA -0.227 4.114 4.340 0.001 0.000 0.243 109 R C 2.233 178.444 176.300 -0.149 0.000 1.145 109 R CA 2.143 58.173 56.100 -0.116 0.000 0.976 109 R CB -0.002 30.248 30.300 -0.083 0.000 0.866 109 R HN 0.707 nan 8.270 nan 0.000 0.449 110 E N -1.157 118.923 120.200 -0.200 0.000 2.041 110 E HA -0.071 4.280 4.350 0.001 0.000 0.202 110 E C 1.479 177.886 176.600 -0.322 0.000 0.945 110 E CA 0.930 57.202 56.400 -0.213 0.000 0.878 110 E CB -0.092 29.532 29.700 -0.127 0.000 0.886 110 E HN 0.012 nan 8.360 nan 0.000 0.487 111 T N 1.371 115.683 114.554 -0.404 0.000 2.731 111 T HA -0.228 4.122 4.350 0.001 0.000 0.259 111 T C 1.467 175.936 174.700 -0.385 0.000 1.054 111 T CA 2.267 64.068 62.100 -0.499 0.000 1.158 111 T CB -0.181 68.275 68.868 -0.687 0.000 0.847 111 T HN 0.157 nan 8.240 nan 0.000 0.470 112 K N 0.140 120.336 120.400 -0.340 0.000 2.367 112 K HA 0.254 4.574 4.320 0.001 0.000 0.194 112 K C 2.390 178.789 176.600 -0.336 0.000 1.027 112 K CA 0.618 56.780 56.287 -0.207 0.000 1.075 112 K CB -0.236 32.229 32.500 -0.058 0.000 0.845 112 K HN 0.437 nan 8.250 nan 0.000 0.529 113 G N 2.619 111.036 108.800 -0.640 0.000 2.550 113 G HA2 -0.291 3.670 3.960 0.001 0.000 0.222 113 G HA3 -0.291 3.670 3.960 0.001 0.000 0.222 113 G C 1.420 175.869 174.900 -0.751 0.000 1.113 113 G CA 0.896 45.296 45.100 -1.167 0.000 0.748 113 G HN 0.320 nan 8.290 nan 0.000 0.585 114 K N -0.501 119.669 120.400 -0.384 0.000 2.358 114 K HA 0.301 4.622 4.320 0.001 0.000 0.197 114 K C 0.539 177.068 176.600 -0.118 0.000 1.025 114 K CA -0.401 55.758 56.287 -0.214 0.000 1.104 114 K CB 0.339 32.745 32.500 -0.156 0.000 0.855 114 K HN 0.239 nan 8.250 nan 0.000 0.531 115 L N 3.243 124.408 121.223 -0.097 0.000 2.483 115 L HA 0.022 4.363 4.340 0.001 0.000 0.276 115 L C -1.006 175.888 176.870 0.039 0.000 1.213 115 L CA -1.100 53.730 54.840 -0.018 0.000 0.843 115 L CB 0.220 42.281 42.059 0.003 0.000 1.107 115 L HN -0.055 nan 8.230 nan 0.000 0.487 116 P HA -0.107 nan 4.420 nan 0.000 0.223 116 P C 0.952 178.296 177.300 0.074 0.000 1.151 116 P CA 0.921 64.050 63.100 0.049 0.000 0.787 116 P CB 0.237 31.953 31.700 0.027 0.000 0.788 117 S N -2.642 113.100 115.700 0.069 0.000 2.605 117 S HA -0.031 4.440 4.470 0.001 0.000 0.217 117 S C 1.775 176.428 174.600 0.088 0.000 0.958 117 S CA -0.605 57.632 58.200 0.062 0.000 0.919 117 S CB -1.236 61.982 63.200 0.030 0.000 0.780 117 S HN -0.040 nan 8.310 nan 0.000 0.507 118 Y N 3.667 123.960 120.300 -0.011 0.000 2.002 118 Y HA -0.348 4.203 4.550 0.001 0.000 0.268 118 Y C 1.892 177.815 175.900 0.038 0.000 1.177 118 Y CA 2.092 60.179 58.100 -0.022 0.000 1.111 118 Y CB -0.763 37.689 38.460 -0.013 0.000 0.952 118 Y HN 0.219 nan 8.280 nan 0.000 0.491 119 K N -0.264 120.114 120.400 -0.037 0.000 2.032 119 K HA -0.327 3.993 4.320 0.001 0.000 0.218 119 K C 2.064 178.691 176.600 0.045 0.000 1.054 119 K CA 2.157 58.481 56.287 0.062 0.000 0.941 119 K CB -0.508 32.069 32.500 0.127 0.000 0.720 119 K HN 0.344 nan 8.250 nan 0.000 0.449 120 E N 1.172 121.388 120.200 0.027 0.000 2.070 120 E HA -0.224 4.126 4.350 0.001 0.000 0.197 120 E C 1.921 178.493 176.600 -0.046 0.000 1.004 120 E CA 1.746 58.156 56.400 0.016 0.000 0.805 120 E CB 0.055 29.765 29.700 0.016 0.000 0.744 120 E HN 0.198 nan 8.360 nan 0.000 0.451 121 K N -0.860 119.479 120.400 -0.102 0.000 2.062 121 K HA -0.107 4.213 4.320 0.001 0.000 0.205 121 K C 2.116 178.542 176.600 -0.290 0.000 1.051 121 K CA 1.294 57.490 56.287 -0.151 0.000 0.941 121 K CB -0.136 32.297 32.500 -0.113 0.000 0.719 121 K HN 0.143 nan 8.250 nan 0.000 0.440 122 M N 0.583 119.886 119.600 -0.495 0.000 2.117 122 M HA -0.120 4.361 4.480 0.001 0.000 0.262 122 M C 1.825 177.699 176.300 -0.710 0.000 1.065 122 M CA 1.788 56.590 55.300 -0.831 0.000 1.114 122 M CB -0.206 31.514 32.600 -1.466 0.000 1.361 122 M HN 0.164 nan 8.290 nan 0.000 0.408 123 A N -0.488 122.151 122.820 -0.300 0.000 1.930 123 A HA -0.233 4.088 4.320 0.001 0.000 0.217 123 A C 2.149 179.680 177.584 -0.089 0.000 1.175 123 A CA 1.831 53.891 52.037 0.037 0.000 0.627 123 A CB -1.022 18.186 19.000 0.346 0.000 0.815 123 A HN 0.751 nan 8.150 nan 0.000 0.443 124 Q N -0.087 119.656 119.800 -0.096 0.000 2.061 124 Q HA -0.185 4.156 4.340 0.001 0.000 0.204 124 Q C 2.118 178.091 176.000 -0.046 0.000 0.984 124 Q CA 2.006 57.776 55.803 -0.056 0.000 0.846 124 Q CB -0.401 28.297 28.738 -0.066 0.000 0.902 124 Q HN 0.543 nan 8.270 nan 0.000 0.421 125 A N -0.030 122.696 122.820 -0.157 0.000 1.902 125 A HA -0.173 4.148 4.320 0.001 0.000 0.217 125 A C 1.770 179.260 177.584 -0.157 0.000 1.181 125 A CA 1.274 53.263 52.037 -0.080 0.000 0.623 125 A CB -0.912 17.869 19.000 -0.365 0.000 0.818 125 A HN 0.551 nan 8.150 nan 0.000 0.443 126 Y N 0.688 120.739 120.300 -0.415 0.000 2.181 126 Y HA -0.170 4.380 4.550 0.001 0.000 0.288 126 Y C 2.317 177.864 175.900 -0.587 0.000 1.146 126 Y CA 1.192 58.864 58.100 -0.712 0.000 1.164 126 Y CB -0.491 37.048 38.460 -1.535 0.000 0.982 126 Y HN 0.330 nan 8.280 nan 0.000 0.515 127 D N -0.676 119.577 120.400 -0.244 0.000 2.084 127 D HA -0.222 4.418 4.640 0.001 0.000 0.194 127 D C 2.213 178.516 176.300 0.006 0.000 0.990 127 D CA 1.256 55.212 54.000 -0.074 0.000 0.826 127 D CB -0.893 39.929 40.800 0.037 0.000 0.971 127 D HN 0.338 nan 8.370 nan 0.000 0.453 128 F N 1.445 121.358 119.950 -0.061 0.000 2.120 128 F HA -0.273 4.255 4.527 0.001 0.000 0.300 128 F C 2.159 177.976 175.800 0.027 0.000 1.095 128 F CA 1.641 59.653 58.000 0.021 0.000 1.249 128 F CB 0.171 39.226 39.000 0.090 0.000 0.995 128 F HN -0.066 nan 8.300 nan 0.000 0.480 129 A N 0.888 123.647 122.820 -0.100 0.000 1.841 129 A HA -0.131 4.190 4.320 0.001 0.000 0.214 129 A C 2.147 179.441 177.584 -0.483 0.000 1.195 129 A CA 1.598 53.482 52.037 -0.256 0.000 0.611 129 A CB -1.239 17.770 19.000 0.015 0.000 0.835 129 A HN 0.463 nan 8.150 nan 0.000 0.443 130 L N -0.346 120.622 121.223 -0.425 0.000 2.187 130 L HA -0.196 4.145 4.340 0.001 0.000 0.213 130 L C 2.178 178.809 176.870 -0.398 0.000 1.100 130 L CA 1.452 55.962 54.840 -0.550 0.000 0.765 130 L CB -0.472 41.135 42.059 -0.754 0.000 0.904 130 L HN 0.485 nan 8.230 nan 0.000 0.437 131 D N 0.001 120.211 120.400 -0.318 0.000 2.234 131 D HA -0.117 4.524 4.640 0.001 0.000 0.205 131 D C 1.880 177.993 176.300 -0.312 0.000 0.962 131 D CA 0.979 54.843 54.000 -0.227 0.000 0.855 131 D CB 0.413 41.157 40.800 -0.094 0.000 0.951 131 D HN 0.360 nan 8.370 nan 0.000 0.500 132 K N -0.622 119.460 120.400 -0.531 0.000 2.365 132 K HA 0.097 4.418 4.320 0.001 0.000 0.195 132 K C 1.331 177.526 176.600 -0.675 0.000 1.079 132 K CA -0.003 55.931 56.287 -0.589 0.000 0.979 132 K CB 1.319 33.359 32.500 -0.765 0.000 0.929 132 K HN 0.009 nan 8.250 nan 0.000 0.523 133 I N -0.271 119.827 120.570 -0.786 0.000 4.456 133 I HA 0.125 4.295 4.170 0.001 0.000 0.329 133 I C 1.621 177.530 176.117 -0.347 0.000 1.313 133 I CA 0.231 61.180 61.300 -0.584 0.000 1.205 133 I CB 0.731 38.248 38.000 -0.806 0.000 1.179 133 I HN 0.064 nan 8.210 nan 0.000 0.419 134 G N 0.738 109.327 108.800 -0.352 0.000 2.532 134 G HA2 -0.312 3.649 3.960 0.001 0.000 0.222 134 G HA3 -0.312 3.649 3.960 0.001 0.000 0.222 134 G C 1.559 176.546 174.900 0.145 0.000 1.102 134 G CA 1.024 46.061 45.100 -0.105 0.000 0.742 134 G HN 0.374 nan 8.290 nan 0.000 0.577 135 M N -0.003 119.477 119.600 -0.201 0.000 2.619 135 M HA 0.172 4.653 4.480 0.001 0.000 0.251 135 M C 0.847 177.222 176.300 0.124 0.000 1.106 135 M CA 0.118 55.278 55.300 -0.234 0.000 1.086 135 M CB 0.204 32.323 32.600 -0.802 0.000 1.465 135 M HN -0.032 nan 8.290 nan 0.000 0.506 136 E N 1.081 121.438 120.200 0.260 0.000 2.413 136 E HA -0.086 4.264 4.350 0.001 0.000 0.263 136 E C 0.727 177.582 176.600 0.426 0.000 1.015 136 E CA 0.216 56.946 56.400 0.549 0.000 0.916 136 E CB 0.759 30.671 29.700 0.353 0.000 0.947 136 E HN 0.422 nan 8.360 nan 0.000 0.440 137 I N 3.489 124.281 120.570 0.370 0.000 2.700 137 I HA -0.219 3.952 4.170 0.001 0.000 0.261 137 I C 1.495 177.673 176.117 0.103 0.000 1.219 137 I CA 0.891 62.296 61.300 0.175 0.000 1.463 137 I CB 0.215 37.957 38.000 -0.430 0.000 1.092 137 I HN 0.389 nan 8.210 nan 0.000 0.452 138 M N -0.472 119.194 119.600 0.110 0.000 2.673 138 M HA 0.128 4.608 4.480 0.001 0.000 0.334 138 M C 1.528 177.942 176.300 0.189 0.000 1.211 138 M CA 0.089 55.455 55.300 0.110 0.000 0.962 138 M CB -0.217 32.408 32.600 0.042 0.000 1.343 138 M HN 0.207 nan 8.290 nan 0.000 0.511 139 S N -1.580 114.278 115.700 0.262 0.000 2.528 139 S HA -0.076 4.394 4.470 0.001 0.000 0.219 139 S C 1.814 176.672 174.600 0.430 0.000 0.985 139 S CA -0.054 58.330 58.200 0.307 0.000 0.914 139 S CB -0.825 62.578 63.200 0.338 0.000 0.776 139 S HN 0.589 nan 8.310 nan 0.000 0.526 140 Y N 2.725 123.211 120.300 0.311 0.000 2.110 140 Y HA -0.424 4.127 4.550 0.001 0.000 0.258 140 Y C 2.517 178.608 175.900 0.318 0.000 1.271 140 Y CA 2.653 60.925 58.100 0.288 0.000 1.080 140 Y CB -1.068 37.479 38.460 0.145 0.000 0.892 140 Y HN 0.346 nan 8.280 nan 0.000 0.510 141 Q N 0.091 119.941 119.800 0.085 0.000 2.112 141 Q HA -0.186 4.155 4.340 0.001 0.000 0.206 141 Q C 2.074 178.051 176.000 -0.039 0.000 0.987 141 Q CA 2.306 58.091 55.803 -0.029 0.000 0.858 141 Q CB -0.554 28.255 28.738 0.119 0.000 0.905 141 Q HN 0.661 nan 8.270 nan 0.000 0.420 142 I N -1.012 119.572 120.570 0.023 0.000 2.208 142 I HA -0.281 3.889 4.170 0.001 0.000 0.245 142 I C 1.901 177.908 176.117 -0.183 0.000 1.097 142 I CA 1.245 62.508 61.300 -0.061 0.000 1.363 142 I CB -1.657 36.267 38.000 -0.126 0.000 1.051 142 I HN 0.343 nan 8.210 nan 0.000 0.413 143 W N 0.888 122.091 121.300 -0.163 0.000 2.335 143 W HA -0.155 4.506 4.660 0.001 0.000 0.311 143 W C 2.762 179.109 176.519 -0.287 0.000 1.213 143 W CA 1.062 58.295 57.345 -0.188 0.000 1.274 143 W CB -1.267 28.082 29.460 -0.184 0.000 1.148 143 W HN -0.138 nan 8.180 nan 0.000 0.498 144 V N 0.419 120.251 119.914 -0.137 0.000 2.261 144 V HA -0.304 3.817 4.120 0.001 0.000 0.246 144 V C 1.808 177.806 176.094 -0.161 0.000 1.047 144 V CA 2.264 64.444 62.300 -0.201 0.000 1.015 144 V CB -1.071 30.594 31.823 -0.264 0.000 0.642 144 V HN 0.023 nan 8.190 nan 0.000 0.446 145 D N -0.963 119.352 120.400 -0.142 0.000 2.158 145 D HA -0.214 4.427 4.640 0.001 0.000 0.197 145 D C 1.937 178.040 176.300 -0.329 0.000 0.995 145 D CA 1.421 55.347 54.000 -0.123 0.000 0.846 145 D CB -0.295 40.495 40.800 -0.016 0.000 0.941 145 D HN 0.515 nan 8.370 nan 0.000 0.456 146 Y N 1.038 120.860 120.300 -0.797 0.000 2.153 146 Y HA -0.048 4.503 4.550 0.001 0.000 0.289 146 Y C 2.166 177.828 175.900 -0.396 0.000 1.127 146 Y CA 0.741 58.262 58.100 -0.965 0.000 1.131 146 Y CB -0.698 37.265 38.460 -0.829 0.000 0.995 146 Y HN -0.047 nan 8.280 nan 0.000 0.505 147 I N 0.212 120.588 120.570 -0.322 0.000 2.208 147 I HA -0.384 3.787 4.170 0.001 0.000 0.245 147 I C 1.993 177.929 176.117 -0.302 0.000 1.097 147 I CA 1.885 62.905 61.300 -0.466 0.000 1.363 147 I CB -0.538 37.078 38.000 -0.640 0.000 1.051 147 I HN 0.278 nan 8.210 nan 0.000 0.413 148 N N 0.302 118.903 118.700 -0.165 0.000 2.142 148 N HA -0.202 4.538 4.740 0.001 0.000 0.186 148 N C 1.853 177.355 175.510 -0.013 0.000 1.023 148 N CA 0.929 53.936 53.050 -0.071 0.000 0.852 148 N CB -0.153 38.328 38.487 -0.009 0.000 0.998 148 N HN 0.213 nan 8.380 nan 0.000 0.424 149 F N 1.981 121.884 119.950 -0.078 0.000 2.069 149 F HA -0.144 4.383 4.527 0.001 0.000 0.298 149 F C 1.774 177.559 175.800 -0.025 0.000 1.113 149 F CA 1.321 59.329 58.000 0.014 0.000 1.214 149 F CB -0.541 38.536 39.000 0.128 0.000 0.978 149 F HN -0.035 nan 8.300 nan 0.000 0.474 150 L N 0.307 121.336 121.223 -0.323 0.000 1.994 150 L HA -0.256 4.084 4.340 0.001 0.000 0.208 150 L C 2.573 179.246 176.870 -0.329 0.000 1.071 150 L CA 1.894 56.472 54.840 -0.437 0.000 0.745 150 L CB -0.782 41.039 42.059 -0.397 0.000 0.892 150 L HN 0.100 nan 8.230 nan 0.000 0.431 151 K N -0.080 120.171 120.400 -0.248 0.000 2.074 151 K HA -0.174 4.146 4.320 0.001 0.000 0.209 151 K C 2.082 178.607 176.600 -0.125 0.000 1.048 151 K CA 1.409 57.609 56.287 -0.146 0.000 0.926 151 K CB -0.599 31.837 32.500 -0.107 0.000 0.713 151 K HN 0.447 nan 8.250 nan 0.000 0.444 152 G N 1.733 110.441 108.800 -0.152 0.000 2.442 152 G HA2 -0.165 3.795 3.960 0.001 0.000 0.219 152 G HA3 -0.165 3.795 3.960 0.001 0.000 0.219 152 G C 0.614 175.424 174.900 -0.150 0.000 1.141 152 G CA 0.279 45.308 45.100 -0.117 0.000 0.763 152 G HN 0.098 nan 8.290 nan 0.000 0.554 153 V N 1.466 121.214 119.914 -0.278 0.000 2.726 153 V HA -0.045 4.075 4.120 0.001 0.000 0.304 153 V C 0.742 176.767 176.094 -0.114 0.000 1.115 153 V CA 0.078 62.238 62.300 -0.233 0.000 1.264 153 V CB 0.516 32.163 31.823 -0.294 0.000 0.867 153 V HN 0.521 nan 8.190 nan 0.000 0.498 154 E N 3.661 123.822 120.200 -0.065 0.000 2.360 154 E HA 0.486 4.837 4.350 0.001 0.000 0.269 154 E C -0.200 176.384 176.600 -0.026 0.000 1.022 154 E CA -0.188 56.193 56.400 -0.032 0.000 0.887 154 E CB 0.894 30.588 29.700 -0.010 0.000 0.990 154 E HN 0.871 nan 8.360 nan 0.000 0.426 155 A N 4.114 126.923 122.820 -0.017 0.000 2.375 155 A HA 0.418 4.738 4.320 0.001 0.000 0.295 155 A C -0.945 176.641 177.584 0.003 0.000 1.066 155 A CA -0.751 51.282 52.037 -0.006 0.000 0.722 155 A CB 1.183 20.175 19.000 -0.013 0.000 1.206 155 A HN 0.453 nan 8.150 nan 0.000 0.435 156 V N 1.245 121.167 119.914 0.013 0.000 2.357 156 V HA 0.968 5.088 4.120 0.001 0.000 0.284 156 V C 0.544 176.652 176.094 0.025 0.000 1.018 156 V CA 0.450 62.759 62.300 0.015 0.000 0.841 156 V CB 0.104 31.934 31.823 0.013 0.000 0.991 156 V HN 2.574 nan 8.190 nan 0.000 0.437 157 G N 4.229 113.042 108.800 0.022 0.000 2.395 157 G HA2 0.017 3.978 3.960 0.001 0.000 0.201 157 G HA3 0.017 3.978 3.960 0.001 0.000 0.201 157 G C 0.187 175.106 174.900 0.033 0.000 1.206 157 G CA 0.190 45.309 45.100 0.031 0.000 1.210 157 G HN 1.151 nan 8.290 nan 0.000 0.557 158 S N -1.945 113.790 115.700 0.058 0.000 3.084 158 S HA 0.189 4.660 4.470 0.001 0.000 0.262 158 S C 1.312 175.951 174.600 0.066 0.000 1.081 158 S CA 0.961 59.188 58.200 0.046 0.000 0.855 158 S CB 0.207 63.431 63.200 0.041 0.000 0.857 158 S HN 0.752 nan 8.310 nan 0.000 0.449 159 Y N 3.231 123.526 120.300 -0.009 0.000 2.403 159 Y HA 0.073 4.624 4.550 0.001 0.000 0.291 159 Y C 2.101 177.996 175.900 -0.007 0.000 1.143 159 Y CA 0.982 59.078 58.100 -0.007 0.000 1.257 159 Y CB -0.297 38.160 38.460 -0.005 0.000 0.984 159 Y HN 0.305 nan 8.280 nan 0.000 0.550 160 A N 0.223 123.119 122.820 0.127 0.000 1.843 160 A HA -0.096 4.225 4.320 0.001 0.000 0.213 160 A C 2.072 179.644 177.584 -0.020 0.000 1.202 160 A CA 1.427 53.501 52.037 0.062 0.000 0.607 160 A CB -0.577 18.465 19.000 0.070 0.000 0.847 160 A HN 0.543 nan 8.150 nan 0.000 0.445 161 E N 0.042 120.233 120.200 -0.015 0.000 2.051 161 E HA -0.201 4.149 4.350 0.001 0.000 0.192 161 E C 1.845 178.413 176.600 -0.053 0.000 0.991 161 E CA 1.097 57.480 56.400 -0.029 0.000 0.799 161 E CB -0.336 29.351 29.700 -0.021 0.000 0.748 161 E HN 0.619 nan 8.360 nan 0.000 0.449 162 N N 1.019 119.671 118.700 -0.080 0.000 2.364 162 N HA -0.212 4.529 4.740 0.001 0.000 0.183 162 N C 1.903 177.326 175.510 -0.146 0.000 1.022 162 N CA 0.878 53.863 53.050 -0.108 0.000 0.883 162 N CB 0.096 38.507 38.487 -0.126 0.000 0.965 162 N HN 0.247 nan 8.380 nan 0.000 0.438 163 Q N 0.661 120.346 119.800 -0.191 0.000 2.172 163 Q HA -0.074 4.266 4.340 0.001 0.000 0.200 163 Q C 2.196 178.136 176.000 -0.101 0.000 0.964 163 Q CA 0.662 56.350 55.803 -0.193 0.000 0.855 163 Q CB 0.060 28.671 28.738 -0.212 0.000 0.918 163 Q HN 0.252 nan 8.270 nan 0.000 0.444 164 R N 0.310 120.767 120.500 -0.072 0.000 2.066 164 R HA -0.108 4.232 4.340 0.001 0.000 0.232 164 R C 2.142 178.437 176.300 -0.009 0.000 1.131 164 R CA 1.441 57.510 56.100 -0.053 0.000 0.955 164 R CB -0.268 30.010 30.300 -0.037 0.000 0.851 164 R HN 0.337 nan 8.270 nan 0.000 0.432 165 I N 0.487 121.074 120.570 0.030 0.000 2.163 165 I HA -0.285 3.885 4.170 0.001 0.000 0.243 165 I C 2.124 178.289 176.117 0.081 0.000 1.085 165 I CA 1.803 63.171 61.300 0.114 0.000 1.347 165 I CB -0.623 37.398 38.000 0.035 0.000 1.044 165 I HN 0.250 nan 8.210 nan 0.000 0.408 166 T N 0.831 115.387 114.554 0.002 0.000 2.759 166 T HA -0.192 4.158 4.350 0.001 0.000 0.269 166 T C 1.995 176.683 174.700 -0.020 0.000 1.042 166 T CA 1.541 63.635 62.100 -0.010 0.000 1.140 166 T CB -0.298 68.539 68.868 -0.051 0.000 0.864 166 T HN 0.520 nan 8.240 nan 0.000 0.455 167 A N 0.794 123.584 122.820 -0.051 0.000 1.872 167 A HA 0.027 4.348 4.320 0.001 0.000 0.214 167 A C 2.587 180.065 177.584 -0.177 0.000 1.187 167 A CA 1.158 53.132 52.037 -0.105 0.000 0.614 167 A CB -0.836 18.092 19.000 -0.119 0.000 0.826 167 A HN 0.349 nan 8.150 nan 0.000 0.442 168 V N -0.027 119.789 119.914 -0.163 0.000 2.358 168 V HA -0.211 3.909 4.120 0.001 0.000 0.246 168 V C 2.577 178.573 176.094 -0.163 0.000 1.047 168 V CA 2.027 64.150 62.300 -0.296 0.000 1.035 168 V CB -0.857 30.748 31.823 -0.363 0.000 0.658 168 V HN 0.532 nan 8.190 nan 0.000 0.452 169 R N -0.202 120.352 120.500 0.089 0.000 2.117 169 R HA -0.227 4.113 4.340 0.001 0.000 0.243 169 R C 2.574 178.886 176.300 0.021 0.000 1.143 169 R CA 1.978 58.194 56.100 0.193 0.000 0.968 169 R CB -0.280 30.146 30.300 0.210 0.000 0.863 169 R HN 0.420 nan 8.270 nan 0.000 0.444 170 R N -0.049 120.431 120.500 -0.033 0.000 2.081 170 R HA -0.101 4.239 4.340 0.001 0.000 0.235 170 R C 2.080 178.344 176.300 -0.060 0.000 1.131 170 R CA 1.540 57.615 56.100 -0.042 0.000 0.960 170 R CB -0.058 30.220 30.300 -0.038 0.000 0.856 170 R HN 0.095 nan 8.270 nan 0.000 0.436 171 V N -0.015 119.804 119.914 -0.157 0.000 2.427 171 V HA -0.226 3.895 4.120 0.001 0.000 0.248 171 V C 1.855 177.909 176.094 -0.066 0.000 1.051 171 V CA 1.521 63.758 62.300 -0.105 0.000 1.048 171 V CB -0.662 30.956 31.823 -0.342 0.000 0.666 171 V HN 0.370 nan 8.190 nan 0.000 0.456 172 Y N 0.457 120.631 120.300 -0.209 0.000 2.114 172 Y HA -0.325 4.226 4.550 0.001 0.000 0.284 172 Y C 2.904 178.540 175.900 -0.441 0.000 1.143 172 Y CA 1.898 59.773 58.100 -0.375 0.000 1.135 172 Y CB -0.127 37.968 38.460 -0.607 0.000 0.980 172 Y HN 0.214 nan 8.280 nan 0.000 0.499 173 Q N -0.333 119.310 119.800 -0.261 0.000 2.135 173 Q HA -0.261 4.080 4.340 0.001 0.000 0.204 173 Q C 2.295 178.265 176.000 -0.049 0.000 0.981 173 Q CA 1.583 57.274 55.803 -0.187 0.000 0.856 173 Q CB -0.172 28.507 28.738 -0.098 0.000 0.902 173 Q HN 0.357 nan 8.270 nan 0.000 0.425 174 R N -0.380 120.123 120.500 0.005 0.000 2.115 174 R HA -0.075 4.265 4.340 0.001 0.000 0.226 174 R C 2.091 178.354 176.300 -0.062 0.000 1.100 174 R CA 1.183 57.330 56.100 0.078 0.000 0.980 174 R CB -0.204 30.235 30.300 0.232 0.000 0.875 174 R HN 0.306 nan 8.270 nan 0.000 0.445 175 G N 0.281 108.944 108.800 -0.228 0.000 2.404 175 G HA2 -0.207 3.753 3.960 0.001 0.000 0.214 175 G HA3 -0.207 3.753 3.960 0.001 0.000 0.214 175 G C 1.034 175.700 174.900 -0.390 0.000 1.189 175 G CA 0.644 45.265 45.100 -0.799 0.000 0.789 175 G HN 0.404 nan 8.290 nan 0.000 0.533 176 C N 1.234 120.469 119.300 -0.107 0.000 2.420 176 C HA 0.373 4.834 4.460 0.001 0.000 0.373 176 C C 1.436 176.525 174.990 0.164 0.000 1.356 176 C CA 0.025 59.114 59.018 0.117 0.000 1.531 176 C CB -1.707 26.193 27.740 0.266 0.000 1.613 176 C HN 0.206 nan 8.230 nan 0.000 0.597 177 V N -0.258 119.667 119.914 0.018 0.000 3.509 177 V HA 0.165 4.285 4.120 0.001 0.000 0.286 177 V C 0.261 176.334 176.094 -0.036 0.000 1.618 177 V CA 0.086 62.399 62.300 0.022 0.000 1.088 177 V CB -0.162 31.677 31.823 0.026 0.000 0.909 177 V HN 0.620 nan 8.190 nan 0.000 0.429 178 N N 2.709 121.342 118.700 -0.112 0.000 2.485 178 N HA 0.270 5.011 4.740 0.001 0.000 0.243 178 N C -2.901 172.567 175.510 -0.070 0.000 0.987 178 N CA -1.507 51.470 53.050 -0.121 0.000 0.940 178 N CB 2.180 40.517 38.487 -0.249 0.000 1.122 178 N HN 0.089 nan 8.380 nan 0.000 0.509 179 P HA -0.006 nan 4.420 nan 0.000 0.256 179 P C -0.742 176.679 177.300 0.202 0.000 1.189 179 P CA 0.698 63.844 63.100 0.076 0.000 0.808 179 P CB 0.090 31.814 31.700 0.039 0.000 0.793 180 M N 1.096 120.802 119.600 0.176 0.000 2.682 180 M HA 0.378 4.859 4.480 0.001 0.000 0.272 180 M C 0.104 176.468 176.300 0.108 0.000 1.232 180 M CA -0.955 54.466 55.300 0.202 0.000 0.849 180 M CB 0.822 33.535 32.600 0.187 0.000 1.695 180 M HN -0.215 nan 8.290 nan 0.000 0.481 181 I N 1.247 121.854 120.570 0.061 0.000 2.074 181 I HA -0.264 3.907 4.170 0.001 0.000 0.238 181 I C 1.384 177.457 176.117 -0.073 0.000 1.037 181 I CA 2.123 63.411 61.300 -0.020 0.000 1.301 181 I CB -1.340 36.635 38.000 -0.042 0.000 1.016 181 I HN 0.865 nan 8.210 nan 0.000 0.400 182 N N 0.346 118.946 118.700 -0.166 0.000 2.346 182 N HA 0.061 4.802 4.740 0.001 0.000 0.225 182 N C 1.299 176.736 175.510 -0.122 0.000 1.144 182 N CA -0.117 52.713 53.050 -0.367 0.000 0.837 182 N CB -0.320 37.454 38.487 -1.187 0.000 1.069 182 N HN 0.188 nan 8.380 nan 0.000 0.487 183 I N 0.445 121.042 120.570 0.045 0.000 2.479 183 I HA -0.298 3.873 4.170 0.001 0.000 0.258 183 I C 1.278 177.557 176.117 0.270 0.000 1.165 183 I CA 1.638 63.032 61.300 0.158 0.000 1.422 183 I CB 0.261 38.343 38.000 0.136 0.000 1.087 183 I HN 0.197 nan 8.210 nan 0.000 0.441 184 E N -0.568 119.745 120.200 0.188 0.000 2.060 184 E HA -0.189 4.161 4.350 0.001 0.000 0.189 184 E C 2.048 178.765 176.600 0.196 0.000 0.974 184 E CA 0.806 57.361 56.400 0.257 0.000 0.808 184 E CB -0.446 29.348 29.700 0.158 0.000 0.768 184 E HN 0.379 nan 8.360 nan 0.000 0.453 185 Q N 0.320 120.169 119.800 0.082 0.000 2.439 185 Q HA -0.082 4.259 4.340 0.001 0.000 0.211 185 Q C 1.655 177.797 176.000 0.236 0.000 0.978 185 Q CA 0.672 56.533 55.803 0.098 0.000 0.897 185 Q CB -0.040 28.680 28.738 -0.029 0.000 0.956 185 Q HN 0.260 nan 8.270 nan 0.000 0.483 186 L N -1.093 120.316 121.223 0.310 0.000 2.102 186 L HA 0.011 4.351 4.340 0.001 0.000 0.202 186 L C 1.863 178.816 176.870 0.140 0.000 1.076 186 L CA 1.390 56.429 54.840 0.331 0.000 0.761 186 L CB -0.744 41.508 42.059 0.322 0.000 0.921 186 L HN 0.485 nan 8.230 nan 0.000 0.444 187 W N 1.052 122.294 121.300 -0.097 0.000 2.374 187 W HA -0.243 4.418 4.660 0.001 0.000 0.288 187 W C 2.498 178.896 176.519 -0.201 0.000 1.218 187 W CA 1.787 58.935 57.345 -0.328 0.000 1.245 187 W CB -0.080 28.809 29.460 -0.952 0.000 1.126 187 W HN 0.263 nan 8.180 nan 0.000 0.545 188 R N 0.830 121.319 120.500 -0.018 0.000 2.096 188 R HA -0.195 4.146 4.340 0.001 0.000 0.229 188 R C 1.934 178.120 176.300 -0.191 0.000 1.134 188 R CA 2.452 58.511 56.100 -0.068 0.000 0.917 188 R CB -0.961 29.364 30.300 0.041 0.000 0.832 188 R HN -0.024 nan 8.270 nan 0.000 0.430 189 D N -0.562 119.772 120.400 -0.110 0.000 2.221 189 D HA -0.207 4.434 4.640 0.001 0.000 0.204 189 D C 1.640 177.691 176.300 -0.416 0.000 0.982 189 D CA 1.032 54.953 54.000 -0.131 0.000 0.857 189 D CB -0.213 40.624 40.800 0.062 0.000 0.934 189 D HN 0.316 nan 8.370 nan 0.000 0.475 190 Y N 2.643 122.396 120.300 -0.911 0.000 2.089 190 Y HA -0.191 4.359 4.550 0.001 0.000 0.282 190 Y C 1.967 177.421 175.900 -0.743 0.000 1.139 190 Y CA 1.264 58.582 58.100 -1.304 0.000 1.123 190 Y CB -0.736 37.005 38.460 -1.197 0.000 0.980 190 Y HN -0.083 nan 8.280 nan 0.000 0.493 191 N N 0.665 118.823 118.700 -0.904 0.000 2.037 191 N HA -0.242 4.498 4.740 0.001 0.000 0.196 191 N C 1.698 176.920 175.510 -0.480 0.000 1.034 191 N CA 2.232 54.813 53.050 -0.781 0.000 0.861 191 N CB -0.349 37.782 38.487 -0.594 0.000 1.039 191 N HN 0.467 nan 8.380 nan 0.000 0.427 192 K N -0.254 119.956 120.400 -0.317 0.000 2.360 192 K HA -0.162 4.158 4.320 0.001 0.000 0.201 192 K C 1.740 178.269 176.600 -0.118 0.000 1.046 192 K CA 0.666 56.847 56.287 -0.176 0.000 0.945 192 K CB -0.133 32.310 32.500 -0.096 0.000 0.750 192 K HN 0.306 nan 8.250 nan 0.000 0.464 193 Y N 2.041 122.167 120.300 -0.290 0.000 2.231 193 Y HA -0.084 4.466 4.550 0.001 0.000 0.294 193 Y C 2.114 177.896 175.900 -0.197 0.000 1.120 193 Y CA 1.163 59.159 58.100 -0.172 0.000 1.141 193 Y CB 0.185 38.603 38.460 -0.069 0.000 1.022 193 Y HN -0.046 nan 8.280 nan 0.000 0.523 194 E N 0.742 120.703 120.200 -0.398 0.000 2.017 194 E HA -0.233 4.117 4.350 0.001 0.000 0.193 194 E C 2.022 178.422 176.600 -0.333 0.000 0.997 194 E CA 1.747 57.894 56.400 -0.421 0.000 0.804 194 E CB -0.472 28.935 29.700 -0.490 0.000 0.757 194 E HN 0.627 nan 8.360 nan 0.000 0.448 195 E N -0.022 120.003 120.200 -0.292 0.000 2.187 195 E HA -0.186 4.164 4.350 0.001 0.000 0.199 195 E C 1.985 178.470 176.600 -0.191 0.000 1.004 195 E CA 1.020 57.296 56.400 -0.206 0.000 0.813 195 E CB -0.303 29.291 29.700 -0.176 0.000 0.736 195 E HN 0.327 nan 8.360 nan 0.000 0.468 196 G N 1.177 109.844 108.800 -0.222 0.000 2.484 196 G HA2 -0.152 3.809 3.960 0.001 0.000 0.218 196 G HA3 -0.152 3.809 3.960 0.001 0.000 0.218 196 G C 1.558 176.319 174.900 -0.232 0.000 1.130 196 G CA 0.688 45.670 45.100 -0.197 0.000 0.784 196 G HN 0.386 nan 8.290 nan 0.000 0.543 197 I N -4.404 115.985 120.570 -0.301 0.000 4.139 197 I HA 0.361 4.531 4.170 0.001 0.000 0.335 197 I C 0.035 176.025 176.117 -0.212 0.000 1.327 197 I CA -0.208 60.933 61.300 -0.265 0.000 1.112 197 I CB 0.665 38.461 38.000 -0.340 0.000 1.058 197 I HN -0.045 nan 8.210 nan 0.000 0.396 198 N N 2.150 120.726 118.700 -0.208 0.000 4.101 198 N HA 0.087 4.827 4.740 0.001 0.000 0.182 198 N C 0.514 175.931 175.510 -0.156 0.000 1.306 198 N CA -0.189 52.745 53.050 -0.194 0.000 0.883 198 N CB 0.933 39.321 38.487 -0.164 0.000 1.686 198 N HN 0.100 nan 8.380 nan 0.000 0.801 199 I N 0.883 121.367 120.570 -0.143 0.000 2.423 199 I HA -0.187 3.983 4.170 0.001 0.000 0.254 199 I C 1.722 177.886 176.117 0.078 0.000 1.151 199 I CA 1.206 62.480 61.300 -0.044 0.000 1.421 199 I CB -1.447 36.552 38.000 -0.002 0.000 1.079 199 I HN 0.517 nan 8.210 nan 0.000 0.431 200 H N 1.603 120.630 119.070 -0.073 0.000 2.265 200 H HA 0.037 4.593 4.556 0.001 0.000 0.305 200 H C 2.469 177.760 175.328 -0.062 0.000 1.054 200 H CA 0.957 56.969 56.048 -0.059 0.000 1.296 200 H CB -0.130 29.603 29.762 -0.048 0.000 1.395 200 H HN 0.185 nan 8.280 nan 0.000 0.502 201 L N 0.848 122.125 121.223 0.090 0.000 2.261 201 L HA -0.175 4.166 4.340 0.001 0.000 0.216 201 L C 2.836 179.685 176.870 -0.034 0.000 1.114 201 L CA 0.484 55.332 54.840 0.013 0.000 0.777 201 L CB -0.495 41.558 42.059 -0.010 0.000 0.910 201 L HN 0.356 nan 8.230 nan 0.000 0.440 202 A N 0.142 122.923 122.820 -0.066 0.000 1.883 202 A HA -0.210 4.111 4.320 0.001 0.000 0.217 202 A C 2.370 179.888 177.584 -0.110 0.000 1.186 202 A CA 1.501 53.459 52.037 -0.133 0.000 0.624 202 A CB -0.332 18.567 19.000 -0.167 0.000 0.822 202 A HN 0.202 nan 8.150 nan 0.000 0.444 203 K N -0.113 120.251 120.400 -0.061 0.000 2.052 203 K HA -0.229 4.091 4.320 0.001 0.000 0.215 203 K C 2.062 178.650 176.600 -0.019 0.000 1.053 203 K CA 2.011 58.275 56.287 -0.038 0.000 0.934 203 K CB -0.399 32.090 32.500 -0.019 0.000 0.717 203 K HN 0.617 nan 8.250 nan 0.000 0.450 204 K N 0.055 120.448 120.400 -0.011 0.000 2.116 204 K HA -0.017 4.304 4.320 0.001 0.000 0.203 204 K C 2.144 178.754 176.600 0.017 0.000 1.052 204 K CA 0.523 56.816 56.287 0.010 0.000 0.952 204 K CB 0.077 32.583 32.500 0.010 0.000 0.729 204 K HN -0.012 nan 8.250 nan 0.000 0.446 205 M N 0.998 120.590 119.600 -0.013 0.000 2.149 205 M HA -0.165 4.316 4.480 0.001 0.000 0.261 205 M C 2.083 178.392 176.300 0.015 0.000 1.064 205 M CA 1.482 56.778 55.300 -0.006 0.000 1.102 205 M CB -0.549 32.010 32.600 -0.069 0.000 1.369 205 M HN 0.181 nan 8.290 nan 0.000 0.408 206 I N -0.967 119.574 120.570 -0.050 0.000 2.296 206 I HA -0.223 3.948 4.170 0.001 0.000 0.242 206 I C 2.379 178.621 176.117 0.208 0.000 1.087 206 I CA 0.789 62.086 61.300 -0.005 0.000 1.393 206 I CB -0.483 37.427 38.000 -0.150 0.000 1.093 206 I HN 0.325 nan 8.210 nan 0.000 0.421 207 E N 1.128 121.406 120.200 0.131 0.000 2.209 207 E HA -0.287 4.064 4.350 0.001 0.000 0.196 207 E C 1.266 177.950 176.600 0.139 0.000 0.993 207 E CA 1.454 57.936 56.400 0.138 0.000 0.819 207 E CB 0.047 29.794 29.700 0.077 0.000 0.745 207 E HN 0.386 nan 8.360 nan 0.000 0.477 208 D N -0.112 120.367 120.400 0.132 0.000 2.269 208 D HA -0.100 4.541 4.640 0.001 0.000 0.208 208 D C 1.151 177.544 176.300 0.155 0.000 0.963 208 D CA 0.875 54.947 54.000 0.120 0.000 0.864 208 D CB 0.088 40.946 40.800 0.097 0.000 0.936 208 D HN 0.354 nan 8.370 nan 0.000 0.505 209 R N -1.030 119.620 120.500 0.249 0.000 2.629 209 R HA 0.377 4.718 4.340 0.001 0.000 0.386 209 R C 1.258 177.736 176.300 0.296 0.000 1.071 209 R CA -0.107 56.161 56.100 0.280 0.000 1.104 209 R CB 0.132 30.640 30.300 0.347 0.000 1.370 209 R HN -0.205 nan 8.270 nan 0.000 0.574 210 S N 1.339 117.176 115.700 0.228 0.000 2.425 210 S HA -0.016 4.455 4.470 0.001 0.000 0.225 210 S C 1.872 176.439 174.600 -0.054 0.000 1.024 210 S CA 0.588 58.801 58.200 0.022 0.000 0.951 210 S CB -0.028 63.246 63.200 0.124 0.000 0.796 210 S HN 0.468 nan 8.310 nan 0.000 0.498 211 R N 0.659 121.159 120.500 -0.001 0.000 2.120 211 R HA -0.089 4.252 4.340 0.001 0.000 0.234 211 R C 1.234 177.501 176.300 -0.054 0.000 1.123 211 R CA 1.776 57.857 56.100 -0.033 0.000 0.975 211 R CB -0.202 30.094 30.300 -0.006 0.000 0.866 211 R HN 0.376 nan 8.270 nan 0.000 0.446 212 D N -0.834 119.555 120.400 -0.018 0.000 2.183 212 D HA -0.143 4.498 4.640 0.001 0.000 0.205 212 D C 1.509 177.780 176.300 -0.047 0.000 0.962 212 D CA 0.776 54.766 54.000 -0.017 0.000 0.849 212 D CB -0.187 40.633 40.800 0.034 0.000 0.978 212 D HN 0.255 nan 8.370 nan 0.000 0.488 213 Y N 1.512 121.673 120.300 -0.231 0.000 2.200 213 Y HA -0.186 4.365 4.550 0.001 0.000 0.290 213 Y C 2.089 177.783 175.900 -0.344 0.000 1.137 213 Y CA 1.304 59.182 58.100 -0.371 0.000 1.163 213 Y CB -0.268 37.631 38.460 -0.935 0.000 0.988 213 Y HN -0.210 nan 8.280 nan 0.000 0.518 214 M N 0.728 119.974 119.600 -0.590 0.000 2.065 214 M HA -0.237 4.243 4.480 0.001 0.000 0.259 214 M C 2.164 178.231 176.300 -0.389 0.000 1.071 214 M CA 1.992 56.946 55.300 -0.576 0.000 1.109 214 M CB -1.887 30.524 32.600 -0.315 0.000 1.313 214 M HN 0.427 nan 8.290 nan 0.000 0.408 215 N N 0.493 119.048 118.700 -0.240 0.000 2.184 215 N HA -0.146 4.594 4.740 0.001 0.000 0.190 215 N C 1.414 176.832 175.510 -0.155 0.000 1.011 215 N CA 2.242 55.198 53.050 -0.157 0.000 0.867 215 N CB -0.087 38.337 38.487 -0.105 0.000 0.993 215 N HN 0.363 nan 8.380 nan 0.000 0.433 216 A N 0.137 122.842 122.820 -0.192 0.000 1.911 216 A HA 0.043 4.363 4.320 0.001 0.000 0.212 216 A C 2.202 179.685 177.584 -0.168 0.000 1.189 216 A CA 0.713 52.667 52.037 -0.137 0.000 0.639 216 A CB -0.539 18.416 19.000 -0.075 0.000 0.839 216 A HN 0.306 nan 8.150 nan 0.000 0.449 217 R N -0.045 120.230 120.500 -0.376 0.000 2.200 217 R HA -0.120 4.221 4.340 0.001 0.000 0.234 217 R C 2.243 178.421 176.300 -0.203 0.000 1.127 217 R CA 1.433 57.310 56.100 -0.371 0.000 0.989 217 R CB -0.295 29.538 30.300 -0.777 0.000 0.869 217 R HN 0.572 nan 8.270 nan 0.000 0.459 218 R N -0.000 120.391 120.500 -0.181 0.000 2.052 218 R HA -0.053 4.288 4.340 0.001 0.000 0.224 218 R C 2.188 178.493 176.300 0.008 0.000 1.165 218 R CA 1.457 57.505 56.100 -0.088 0.000 0.939 218 R CB -0.358 29.889 30.300 -0.088 0.000 0.834 218 R HN 0.075 nan 8.270 nan 0.000 0.435 219 V N 1.972 121.907 119.914 0.035 0.000 2.439 219 V HA -0.303 3.817 4.120 0.001 0.000 0.253 219 V C 2.545 178.786 176.094 0.246 0.000 1.074 219 V CA 1.937 64.339 62.300 0.171 0.000 1.076 219 V CB -1.015 30.857 31.823 0.082 0.000 0.664 219 V HN 0.560 nan 8.190 nan 0.000 0.461 220 A N -0.033 122.864 122.820 0.127 0.000 1.883 220 A HA -0.283 4.038 4.320 0.001 0.000 0.217 220 A C 2.331 179.985 177.584 0.118 0.000 1.186 220 A CA 2.260 54.389 52.037 0.154 0.000 0.624 220 A CB -0.452 18.585 19.000 0.062 0.000 0.822 220 A HN 0.576 nan 8.150 nan 0.000 0.444 221 K N -0.496 119.933 120.400 0.048 0.000 2.057 221 K HA -0.129 4.191 4.320 0.001 0.000 0.206 221 K C 2.044 178.634 176.600 -0.016 0.000 1.050 221 K CA 1.476 57.761 56.287 -0.005 0.000 0.935 221 K CB -0.200 32.287 32.500 -0.023 0.000 0.715 221 K HN 0.611 nan 8.250 nan 0.000 0.439 222 E N 0.020 120.263 120.200 0.071 0.000 2.058 222 E HA -0.236 4.114 4.350 0.001 0.000 0.194 222 E C 1.953 178.360 176.600 -0.321 0.000 0.997 222 E CA 1.307 57.730 56.400 0.038 0.000 0.801 222 E CB -0.201 29.776 29.700 0.460 0.000 0.746 222 E HN 0.275 nan 8.360 nan 0.000 0.450 223 Y N 2.161 122.221 120.300 -0.400 0.000 2.128 223 Y HA -0.264 4.286 4.550 0.001 0.000 0.284 223 Y C 2.269 177.875 175.900 -0.490 0.000 1.154 223 Y CA 1.968 59.654 58.100 -0.689 0.000 1.149 223 Y CB -0.483 37.938 38.460 -0.065 0.000 0.976 223 Y HN 0.026 nan 8.280 nan 0.000 0.505 224 E N -0.553 119.497 120.200 -0.249 0.000 2.147 224 E HA -0.200 4.151 4.350 0.001 0.000 0.199 224 E C 1.826 178.216 176.600 -0.351 0.000 1.005 224 E CA 2.487 58.707 56.400 -0.300 0.000 0.810 224 E CB -0.577 29.027 29.700 -0.160 0.000 0.736 224 E HN 0.463 nan 8.360 nan 0.000 0.460 225 T N 0.277 114.625 114.554 -0.343 0.000 2.671 225 T HA -0.100 4.250 4.350 0.001 0.000 0.250 225 T C 1.935 176.384 174.700 -0.418 0.000 1.068 225 T CA 2.118 64.022 62.100 -0.327 0.000 1.177 225 T CB -0.721 67.990 68.868 -0.262 0.000 0.876 225 T HN 0.238 nan 8.240 nan 0.000 0.405 226 V N 1.086 120.686 119.914 -0.524 0.000 2.409 226 V HA -0.281 3.840 4.120 0.001 0.000 0.261 226 V C 2.296 178.038 176.094 -0.586 0.000 1.099 226 V CA 1.791 63.770 62.300 -0.535 0.000 1.100 226 V CB -1.146 30.277 31.823 -0.667 0.000 0.677 226 V HN 0.340 nan 8.190 nan 0.000 0.460 227 M N 0.864 120.052 119.600 -0.686 0.000 2.334 227 M HA 0.007 4.487 4.480 0.001 0.000 0.266 227 M C 2.273 178.267 176.300 -0.511 0.000 1.082 227 M CA 1.972 56.844 55.300 -0.712 0.000 1.141 227 M CB -1.023 31.086 32.600 -0.819 0.000 1.380 227 M HN 0.752 nan 8.290 nan 0.000 0.440 228 K N 0.125 120.281 120.400 -0.406 0.000 2.113 228 K HA -0.126 4.194 4.320 0.001 0.000 0.208 228 K C 1.885 178.323 176.600 -0.271 0.000 1.047 228 K CA 1.905 58.014 56.287 -0.296 0.000 0.928 228 K CB -0.939 31.419 32.500 -0.237 0.000 0.716 228 K HN 0.316 nan 8.250 nan 0.000 0.446 229 G N 1.916 110.536 108.800 -0.300 0.000 2.421 229 G HA2 0.002 3.962 3.960 0.001 0.000 0.217 229 G HA3 0.002 3.962 3.960 0.001 0.000 0.217 229 G C 0.798 175.513 174.900 -0.308 0.000 1.143 229 G CA 0.064 45.007 45.100 -0.263 0.000 0.784 229 G HN 0.117 nan 8.290 nan 0.000 0.541 230 L N 0.886 121.833 121.223 -0.461 0.000 2.483 230 L HA 0.083 4.424 4.340 0.001 0.000 0.276 230 L C 1.543 178.214 176.870 -0.332 0.000 1.213 230 L CA -0.455 54.031 54.840 -0.590 0.000 0.843 230 L CB 0.659 42.068 42.059 -1.084 0.000 1.107 230 L HN 0.144 nan 8.230 nan 0.000 0.487 231 D N 1.699 121.992 120.400 -0.179 0.000 2.049 231 D HA -0.086 4.555 4.640 0.001 0.000 0.240 231 D C 1.107 177.431 176.300 0.040 0.000 0.979 231 D CA 1.097 55.088 54.000 -0.015 0.000 0.915 231 D CB 0.379 41.234 40.800 0.091 0.000 1.050 231 D HN 0.589 nan 8.370 nan 0.000 0.444 232 R N -1.752 118.874 120.500 0.210 0.000 2.977 232 R HA -0.088 4.253 4.340 0.001 0.000 0.492 232 R C 0.544 176.950 176.300 0.176 0.000 0.642 232 R CA 0.812 57.051 56.100 0.232 0.000 1.341 232 R CB -1.515 28.847 30.300 0.104 0.000 2.048 232 R HN 0.285 nan 8.270 nan 0.000 0.403 233 N N -0.368 118.409 118.700 0.128 0.000 2.082 233 N HA 0.160 4.900 4.740 0.001 0.000 0.228 233 N C -0.213 175.290 175.510 -0.011 0.000 1.341 233 N CA 0.598 53.697 53.050 0.082 0.000 0.873 233 N CB 1.260 39.795 38.487 0.080 0.000 1.137 233 N HN 0.192 nan 8.380 nan 0.000 0.505 234 A N 2.532 125.374 122.820 0.037 0.000 2.488 234 A HA 0.350 4.670 4.320 0.001 0.000 0.249 234 A C -2.269 175.318 177.584 0.005 0.000 1.083 234 A CA -0.502 51.551 52.037 0.027 0.000 0.768 234 A CB -0.175 18.873 19.000 0.081 0.000 1.017 234 A HN -0.061 nan 8.150 nan 0.000 0.496 235 P HA 0.076 nan 4.420 nan 0.000 0.268 235 P C -0.043 177.409 177.300 0.254 0.000 1.204 235 P CA 0.194 63.345 63.100 0.085 0.000 0.768 235 P CB 0.753 32.475 31.700 0.037 0.000 0.842 236 S N 2.553 118.441 115.700 0.314 0.000 2.488 236 S HA 0.294 4.764 4.470 0.001 0.000 0.278 236 S C -0.377 174.343 174.600 0.199 0.000 1.259 236 S CA -0.260 58.093 58.200 0.255 0.000 1.061 236 S CB -0.465 62.898 63.200 0.273 0.000 0.910 236 S HN 0.153 nan 8.310 nan 0.000 0.491 237 V N 8.202 128.113 119.914 -0.005 0.000 2.709 237 V HA 0.521 4.641 4.120 0.001 0.000 0.308 237 V C -2.168 173.620 176.094 -0.510 0.000 1.062 237 V CA -1.966 60.066 62.300 -0.447 0.000 0.901 237 V CB 2.016 33.756 31.823 -0.138 0.000 1.003 237 V HN 0.758 nan 8.190 nan 0.000 0.425 238 P HA 0.172 nan 4.420 nan 0.000 0.266 238 P C -2.777 174.413 177.300 -0.184 0.000 1.195 238 P CA -1.055 61.769 63.100 -0.459 0.000 0.768 238 P CB -0.132 31.273 31.700 -0.492 0.000 0.838 239 P HA 0.145 nan 4.420 nan 0.000 0.268 239 P C -0.230 177.034 177.300 -0.060 0.000 1.204 239 P CA 0.464 63.520 63.100 -0.074 0.000 0.768 239 P CB 0.413 32.007 31.700 -0.177 0.000 0.842 244 Q N 0.300 120.128 119.800 0.046 0.000 2.422 244 Q HA 0.102 4.443 4.340 0.001 0.000 0.255 244 Q C 1.876 177.917 176.000 0.069 0.000 0.864 244 Q CA 0.807 56.638 55.803 0.047 0.000 0.968 244 Q CB 1.219 29.983 28.738 0.043 0.000 1.130 244 Q HN 0.400 nan 8.270 nan 0.000 0.556 245 E N 0.470 120.722 120.200 0.087 0.000 2.077 245 E HA -0.151 4.199 4.350 0.001 0.000 0.193 245 E C 1.649 178.334 176.600 0.141 0.000 0.989 245 E CA 1.275 57.751 56.400 0.127 0.000 0.800 245 E CB -0.057 29.726 29.700 0.138 0.000 0.746 245 E HN 0.418 nan 8.360 nan 0.000 0.452 246 A N 0.781 123.663 122.820 0.104 0.000 2.066 246 A HA -0.151 4.170 4.320 0.001 0.000 0.218 246 A C 2.111 179.743 177.584 0.081 0.000 1.157 246 A CA 1.105 53.199 52.037 0.094 0.000 0.670 246 A CB -0.303 18.735 19.000 0.062 0.000 0.804 246 A HN 0.308 nan 8.150 nan 0.000 0.453 247 Q N -0.587 119.253 119.800 0.066 0.000 2.089 247 Q HA -0.109 4.231 4.340 0.001 0.000 0.195 247 Q C 1.987 178.011 176.000 0.040 0.000 0.963 247 Q CA 1.230 57.058 55.803 0.040 0.000 0.834 247 Q CB -0.256 28.496 28.738 0.023 0.000 0.906 247 Q HN 0.659 nan 8.270 nan 0.000 0.452 248 Q N -0.054 119.785 119.800 0.066 0.000 2.167 248 Q HA -0.068 4.273 4.340 0.001 0.000 0.202 248 Q C 2.248 178.361 176.000 0.188 0.000 0.970 248 Q CA 0.925 56.772 55.803 0.073 0.000 0.855 248 Q CB -0.072 28.745 28.738 0.132 0.000 0.911 248 Q HN 0.219 nan 8.270 nan 0.000 0.438 249 V N 1.912 121.955 119.914 0.216 0.000 2.324 249 V HA -0.279 3.842 4.120 0.001 0.000 0.250 249 V C 2.195 178.405 176.094 0.192 0.000 1.060 249 V CA 2.075 64.524 62.300 0.247 0.000 1.042 249 V CB -0.526 31.426 31.823 0.215 0.000 0.650 249 V HN 0.388 nan 8.190 nan 0.000 0.450 250 D N -0.409 120.060 120.400 0.115 0.000 2.103 250 D HA -0.219 4.422 4.640 0.001 0.000 0.190 250 D C 2.246 178.573 176.300 0.045 0.000 0.997 250 D CA 2.013 56.054 54.000 0.069 0.000 0.833 250 D CB -0.094 40.728 40.800 0.036 0.000 0.961 250 D HN 0.363 nan 8.370 nan 0.000 0.447 251 M N -0.949 118.642 119.600 -0.015 0.000 2.106 251 M HA -0.206 4.275 4.480 0.001 0.000 0.259 251 M C 2.395 178.642 176.300 -0.088 0.000 1.068 251 M CA 1.473 56.703 55.300 -0.116 0.000 1.100 251 M CB -0.638 31.807 32.600 -0.259 0.000 1.351 251 M HN 0.201 nan 8.290 nan 0.000 0.404 252 W N 1.200 122.503 121.300 0.005 0.000 2.333 252 W HA -0.189 4.472 4.660 0.001 0.000 0.316 252 W C 2.522 179.030 176.519 -0.019 0.000 1.215 252 W CA 1.047 58.404 57.345 0.019 0.000 1.278 252 W CB -0.298 29.145 29.460 -0.028 0.000 1.154 252 W HN 0.129 nan 8.180 nan 0.000 0.486 253 K N 0.391 120.913 120.400 0.204 0.000 2.152 253 K HA -0.184 4.136 4.320 0.001 0.000 0.206 253 K C 1.769 178.395 176.600 0.043 0.000 1.048 253 K CA 1.333 57.662 56.287 0.071 0.000 0.933 253 K CB -0.308 32.236 32.500 0.072 0.000 0.721 253 K HN 0.237 nan 8.250 nan 0.000 0.447 254 K N 0.333 120.775 120.400 0.071 0.000 2.002 254 K HA -0.196 4.124 4.320 0.001 0.000 0.209 254 K C 2.126 178.815 176.600 0.149 0.000 1.048 254 K CA 1.624 57.955 56.287 0.074 0.000 0.930 254 K CB -0.407 32.112 32.500 0.031 0.000 0.714 254 K HN 0.263 nan 8.250 nan 0.000 0.438 255 Y N 1.817 122.119 120.300 0.003 0.000 2.114 255 Y HA -0.277 4.273 4.550 0.001 0.000 0.282 255 Y C 2.034 178.014 175.900 0.134 0.000 1.165 255 Y CA 1.289 59.424 58.100 0.059 0.000 1.148 255 Y CB -0.110 38.331 38.460 -0.032 0.000 0.972 255 Y HN -0.027 nan 8.280 nan 0.000 0.504 256 I N 0.582 121.019 120.570 -0.222 0.000 2.179 256 I HA -0.345 3.826 4.170 0.001 0.000 0.242 256 I C 2.455 178.381 176.117 -0.319 0.000 1.088 256 I CA 1.642 62.634 61.300 -0.512 0.000 1.357 256 I CB -0.615 37.003 38.000 -0.637 0.000 1.051 256 I HN 0.431 nan 8.210 nan 0.000 0.409 257 Q N -0.271 119.449 119.800 -0.133 0.000 2.020 257 Q HA -0.280 4.061 4.340 0.001 0.000 0.202 257 Q C 2.029 178.029 176.000 -0.000 0.000 0.982 257 Q CA 2.189 57.950 55.803 -0.071 0.000 0.838 257 Q CB -0.414 28.326 28.738 0.002 0.000 0.899 257 Q HN 0.561 nan 8.270 nan 0.000 0.423 258 W N 2.124 123.382 121.300 -0.069 0.000 2.290 258 W HA -0.313 4.347 4.660 0.001 0.000 0.323 258 W C 1.977 178.466 176.519 -0.050 0.000 1.260 258 W CA 2.209 59.543 57.345 -0.018 0.000 1.266 258 W CB -0.245 29.257 29.460 0.071 0.000 1.149 258 W HN 0.122 nan 8.180 nan 0.000 0.482 259 E N 0.147 120.294 120.200 -0.088 0.000 2.153 259 E HA -0.180 4.171 4.350 0.001 0.000 0.194 259 E C 1.977 178.377 176.600 -0.334 0.000 0.988 259 E CA 1.655 57.852 56.400 -0.338 0.000 0.811 259 E CB -0.258 29.314 29.700 -0.213 0.000 0.746 259 E HN 0.304 nan 8.360 nan 0.000 0.466 260 K N -0.540 119.689 120.400 -0.285 0.000 2.296 260 K HA -0.015 4.306 4.320 0.001 0.000 0.200 260 K C 1.947 178.471 176.600 -0.128 0.000 1.048 260 K CA 1.022 57.178 56.287 -0.219 0.000 0.966 260 K CB 0.108 32.462 32.500 -0.243 0.000 0.754 260 K HN 0.136 nan 8.250 nan 0.000 0.466 261 S N 0.900 116.496 115.700 -0.172 0.000 2.489 261 S HA -0.103 4.368 4.470 0.001 0.000 0.228 261 S C 0.624 175.118 174.600 -0.177 0.000 0.995 261 S CA 0.147 58.263 58.200 -0.140 0.000 0.934 261 S CB -0.211 62.913 63.200 -0.127 0.000 0.771 261 S HN 0.407 nan 8.310 nan 0.000 0.522 262 N N 1.185 119.727 118.700 -0.262 0.000 2.917 262 N HA -0.075 4.665 4.740 0.001 0.000 0.252 262 N C -2.320 173.004 175.510 -0.310 0.000 1.097 262 N CA 0.602 53.503 53.050 -0.249 0.000 0.669 262 N CB -1.103 37.304 38.487 -0.134 0.000 0.957 262 N HN 0.220 nan 8.380 nan 0.000 0.566 263 P HA -0.138 nan 4.420 nan 0.000 0.214 263 P C 0.648 177.797 177.300 -0.251 0.000 1.172 263 P CA 1.166 63.967 63.100 -0.498 0.000 0.925 263 P CB 0.132 31.265 31.700 -0.944 0.000 0.793 264 L N 0.727 121.809 121.223 -0.235 0.000 2.565 264 L HA 0.038 4.379 4.340 0.001 0.000 0.275 264 L C 0.775 177.573 176.870 -0.120 0.000 1.137 264 L CA -0.103 54.653 54.840 -0.140 0.000 0.915 264 L CB -0.323 41.663 42.059 -0.123 0.000 1.232 264 L HN -0.038 nan 8.230 nan 0.000 0.473 265 R N 2.312 122.755 120.500 -0.094 0.000 2.630 265 R HA 0.074 4.415 4.340 0.001 0.000 0.286 265 R C 0.203 176.468 176.300 -0.059 0.000 1.391 265 R CA 0.002 56.056 56.100 -0.075 0.000 1.027 265 R CB -0.536 29.729 30.300 -0.059 0.000 1.099 265 R HN 0.497 nan 8.270 nan 0.000 0.525 266 T N -0.153 114.366 114.554 -0.059 0.000 2.893 266 T HA 0.138 4.489 4.350 0.001 0.000 0.293 266 T C 0.707 175.390 174.700 -0.028 0.000 1.027 266 T CA -0.852 61.224 62.100 -0.040 0.000 0.988 266 T CB 1.650 70.494 68.868 -0.039 0.000 1.043 266 T HN 0.410 nan 8.240 nan 0.000 0.461 267 E N 1.876 122.066 120.200 -0.017 0.000 2.482 267 E HA 0.020 4.370 4.350 0.001 0.000 0.196 267 E C 0.044 176.643 176.600 -0.001 0.000 1.047 267 E CA 0.215 56.610 56.400 -0.009 0.000 0.869 267 E CB 0.057 29.753 29.700 -0.007 0.000 0.836 267 E HN 0.610 nan 8.360 nan 0.000 0.520 268 D N 1.125 121.525 120.400 -0.001 0.000 2.352 268 D HA -0.015 4.625 4.640 0.001 0.000 0.245 268 D C 1.013 177.327 176.300 0.024 0.000 1.224 268 D CA -0.012 53.995 54.000 0.011 0.000 0.879 268 D CB 1.145 41.952 40.800 0.011 0.000 1.057 268 D HN -0.210 nan 8.370 nan 0.000 0.491 269 Q N 2.317 122.140 119.800 0.040 0.000 2.079 269 Q HA -0.140 4.200 4.340 0.001 0.000 0.200 269 Q C 1.869 177.943 176.000 0.123 0.000 0.974 269 Q CA 2.292 58.134 55.803 0.066 0.000 0.840 269 Q CB -0.431 28.348 28.738 0.067 0.000 0.898 269 Q HN 0.614 nan 8.270 nan 0.000 0.430 270 T N -1.227 113.415 114.554 0.147 0.000 2.833 270 T HA -0.158 4.193 4.350 0.001 0.000 0.269 270 T C 1.578 176.383 174.700 0.174 0.000 1.054 270 T CA 1.227 63.475 62.100 0.246 0.000 1.135 270 T CB -0.389 68.574 68.868 0.160 0.000 0.869 270 T HN 0.272 nan 8.240 nan 0.000 0.466 271 L N 0.571 121.847 121.223 0.088 0.000 2.465 271 L HA 0.350 4.690 4.340 0.001 0.000 0.224 271 L C 1.882 178.764 176.870 0.020 0.000 1.145 271 L CA 0.817 55.684 54.840 0.045 0.000 0.834 271 L CB -0.605 41.463 42.059 0.015 0.000 0.944 271 L HN 0.439 nan 8.230 nan 0.000 0.451 272 I N -2.149 118.442 120.570 0.035 0.000 2.385 272 I HA -0.117 4.053 4.170 0.001 0.000 0.244 272 I C 2.110 178.254 176.117 0.046 0.000 1.089 272 I CA 1.017 62.323 61.300 0.010 0.000 1.410 272 I CB -1.148 36.869 38.000 0.028 0.000 1.117 272 I HN 0.025 nan 8.210 nan 0.000 0.429 273 T N 1.035 115.647 114.554 0.097 0.000 2.665 273 T HA -0.230 4.121 4.350 0.001 0.000 0.268 273 T C 1.910 176.614 174.700 0.007 0.000 1.035 273 T CA 1.747 63.890 62.100 0.072 0.000 1.151 273 T CB -0.240 68.508 68.868 -0.200 0.000 0.862 273 T HN 0.097 nan 8.240 nan 0.000 0.438 274 K N 1.077 121.503 120.400 0.044 0.000 1.987 274 K HA -0.030 4.291 4.320 0.001 0.000 0.216 274 K C 2.435 179.066 176.600 0.051 0.000 1.051 274 K CA 1.514 57.832 56.287 0.052 0.000 0.942 274 K CB -0.232 32.303 32.500 0.058 0.000 0.722 274 K HN 0.224 nan 8.250 nan 0.000 0.444 275 R N -0.410 120.104 120.500 0.024 0.000 2.152 275 R HA -0.065 4.275 4.340 0.001 0.000 0.232 275 R C 2.166 178.464 176.300 -0.004 0.000 1.117 275 R CA 1.110 57.234 56.100 0.041 0.000 0.981 275 R CB -0.234 30.043 30.300 -0.039 0.000 0.870 275 R HN 0.040 nan 8.270 nan 0.000 0.451 276 V N 0.644 120.504 119.914 -0.091 0.000 2.407 276 V HA -0.201 3.920 4.120 0.001 0.000 0.245 276 V C 2.268 178.241 176.094 -0.201 0.000 1.041 276 V CA 1.316 63.456 62.300 -0.268 0.000 1.040 276 V CB -0.230 31.335 31.823 -0.430 0.000 0.671 276 V HN 0.243 nan 8.190 nan 0.000 0.455 277 M N -0.922 118.661 119.600 -0.028 0.000 2.213 277 M HA -0.130 4.351 4.480 0.001 0.000 0.263 277 M C 2.124 178.467 176.300 0.071 0.000 1.062 277 M CA 1.626 56.954 55.300 0.046 0.000 1.105 277 M CB -1.315 31.295 32.600 0.016 0.000 1.385 277 M HN 0.438 nan 8.290 nan 0.000 0.417 278 F N 1.068 120.978 119.950 -0.066 0.000 2.186 278 F HA -0.066 4.461 4.527 0.001 0.000 0.299 278 F C 2.213 177.995 175.800 -0.030 0.000 1.090 278 F CA 1.264 59.245 58.000 -0.031 0.000 1.307 278 F CB -0.519 38.484 39.000 0.005 0.000 1.019 278 F HN 0.111 nan 8.300 nan 0.000 0.489 279 A N -0.401 122.288 122.820 -0.219 0.000 1.841 279 A HA -0.212 4.108 4.320 0.001 0.000 0.214 279 A C 2.197 179.531 177.584 -0.416 0.000 1.195 279 A CA 1.658 53.404 52.037 -0.484 0.000 0.611 279 A CB -1.737 16.687 19.000 -0.960 0.000 0.835 279 A HN 0.506 nan 8.150 nan 0.000 0.443 280 Y N 0.416 120.491 120.300 -0.374 0.000 2.139 280 Y HA -0.303 4.248 4.550 0.001 0.000 0.282 280 Y C 2.789 178.418 175.900 -0.451 0.000 1.179 280 Y CA 1.459 59.316 58.100 -0.406 0.000 1.161 280 Y CB 0.005 38.244 38.460 -0.369 0.000 0.970 280 Y HN 0.345 nan 8.280 nan 0.000 0.511 281 E N 0.087 120.165 120.200 -0.203 0.000 2.012 281 E HA -0.242 4.109 4.350 0.001 0.000 0.197 281 E C 2.123 178.524 176.600 -0.330 0.000 1.007 281 E CA 1.281 57.534 56.400 -0.245 0.000 0.816 281 E CB -0.527 29.090 29.700 -0.138 0.000 0.762 281 E HN 0.535 nan 8.360 nan 0.000 0.451 282 Q N 0.437 120.005 119.800 -0.387 0.000 2.029 282 Q HA -0.215 4.125 4.340 0.001 0.000 0.209 282 Q C 2.498 178.149 176.000 -0.582 0.000 0.999 282 Q CA 1.476 57.079 55.803 -0.332 0.000 0.857 282 Q CB -1.320 27.347 28.738 -0.118 0.000 0.926 282 Q HN 0.411 nan 8.270 nan 0.000 0.415 283 C N 0.894 119.683 119.300 -0.851 0.000 2.376 283 C HA -0.182 4.279 4.460 0.001 0.000 0.275 283 C C 2.882 177.294 174.990 -0.964 0.000 1.200 283 C CA 1.006 59.160 59.018 -1.441 0.000 1.756 283 C CB -1.245 25.962 27.740 -0.889 0.000 2.050 283 C HN 0.535 nan 8.230 nan 0.000 0.460 284 L N 0.399 121.213 121.223 -0.682 0.000 2.263 284 L HA -0.175 4.166 4.340 0.001 0.000 0.216 284 L C 2.480 179.126 176.870 -0.372 0.000 1.111 284 L CA 1.114 55.588 54.840 -0.609 0.000 0.773 284 L CB -0.520 41.067 42.059 -0.786 0.000 0.906 284 L HN 0.486 nan 8.230 nan 0.000 0.439 285 L N -1.365 119.663 121.223 -0.326 0.000 2.191 285 L HA -0.173 4.168 4.340 0.001 0.000 0.212 285 L C 2.119 178.919 176.870 -0.115 0.000 1.103 285 L CA 0.803 55.557 54.840 -0.144 0.000 0.769 285 L CB -0.229 41.781 42.059 -0.082 0.000 0.908 285 L HN 0.132 nan 8.230 nan 0.000 0.438 286 V N -1.313 118.453 119.914 -0.247 0.000 2.908 286 V HA 0.006 4.127 4.120 0.001 0.000 0.240 286 V C 1.346 177.316 176.094 -0.206 0.000 1.117 286 V CA 0.426 62.633 62.300 -0.156 0.000 1.133 286 V CB 0.431 32.188 31.823 -0.109 0.000 0.857 286 V HN 0.234 nan 8.190 nan 0.000 0.478 287 L N 1.100 122.064 121.223 -0.432 0.000 3.034 287 L HA 0.393 4.733 4.340 0.001 0.000 0.245 287 L C 1.806 178.417 176.870 -0.432 0.000 1.295 287 L CA 0.246 54.728 54.840 -0.597 0.000 1.068 287 L CB 0.025 41.590 42.059 -0.823 0.000 1.426 287 L HN 0.341 nan 8.230 nan 0.000 0.531 288 G N -1.799 106.889 108.800 -0.187 0.000 2.848 288 G HA2 -0.122 3.839 3.960 0.001 0.000 0.208 288 G HA3 -0.122 3.839 3.960 0.001 0.000 0.208 288 G C 1.009 176.000 174.900 0.153 0.000 1.152 288 G CA 0.070 45.175 45.100 0.009 0.000 0.789 288 G HN 0.443 nan 8.290 nan 0.000 0.531 289 H N -0.110 119.063 119.070 0.171 0.000 2.505 289 H HA 0.157 4.714 4.556 0.001 0.000 0.289 289 H C -0.299 175.251 175.328 0.369 0.000 1.052 289 H CA -0.097 56.084 56.048 0.222 0.000 1.156 289 H CB 0.236 30.056 29.762 0.097 0.000 1.507 289 H HN 0.481 nan 8.280 nan 0.000 0.548 290 H N 0.970 120.139 119.070 0.166 0.000 2.691 290 H HA 0.106 4.663 4.556 0.001 0.000 0.281 290 H C -1.760 173.677 175.328 0.181 0.000 1.121 290 H CA -2.251 53.867 56.048 0.117 0.000 1.254 290 H CB 1.679 31.469 29.762 0.046 0.000 1.390 290 H HN 0.120 nan 8.280 nan 0.000 0.491 291 P HA -0.264 nan 4.420 nan 0.000 0.216 291 P C 1.493 178.915 177.300 0.204 0.000 1.154 291 P CA 1.414 64.635 63.100 0.201 0.000 0.865 291 P CB 0.266 32.005 31.700 0.066 0.000 0.789 292 D N -0.166 120.326 120.400 0.152 0.000 2.158 292 D HA -0.185 4.455 4.640 0.001 0.000 0.197 292 D C 1.856 178.250 176.300 0.157 0.000 0.995 292 D CA 1.285 55.376 54.000 0.152 0.000 0.846 292 D CB -1.025 39.844 40.800 0.116 0.000 0.941 292 D HN 0.246 nan 8.370 nan 0.000 0.456 293 I N -1.085 119.545 120.570 0.100 0.000 2.406 293 I HA -0.122 4.049 4.170 0.001 0.000 0.249 293 I C 2.266 178.232 176.117 -0.251 0.000 1.122 293 I CA 0.551 61.820 61.300 -0.052 0.000 1.431 293 I CB -0.400 37.520 38.000 -0.133 0.000 1.087 293 I HN -0.011 nan 8.210 nan 0.000 0.424 294 W N 0.504 121.699 121.300 -0.175 0.000 2.355 294 W HA -0.262 4.399 4.660 0.001 0.000 0.309 294 W C 2.682 178.961 176.519 -0.399 0.000 1.206 294 W CA 1.441 58.597 57.345 -0.316 0.000 1.284 294 W CB -0.860 28.432 29.460 -0.279 0.000 1.145 294 W HN 0.092 nan 8.180 nan 0.000 0.502 295 Y N 1.527 121.752 120.300 -0.125 0.000 2.070 295 Y HA -0.294 4.257 4.550 0.001 0.000 0.280 295 Y C 2.223 178.001 175.900 -0.203 0.000 1.148 295 Y CA 2.352 60.342 58.100 -0.183 0.000 1.125 295 Y CB -0.838 37.600 38.460 -0.036 0.000 0.975 295 Y HN 0.005 nan 8.280 nan 0.000 0.492 296 E N -0.178 119.932 120.200 -0.150 0.000 2.219 296 E HA -0.262 4.089 4.350 0.001 0.000 0.198 296 E C 2.188 178.511 176.600 -0.462 0.000 0.998 296 E CA 0.922 57.198 56.400 -0.206 0.000 0.818 296 E CB -0.304 29.420 29.700 0.041 0.000 0.741 296 E HN 0.612 nan 8.360 nan 0.000 0.477 297 A N 1.060 123.341 122.820 -0.897 0.000 1.935 297 A HA 0.125 4.446 4.320 0.001 0.000 0.214 297 A C 2.289 179.483 177.584 -0.650 0.000 1.178 297 A CA 1.076 52.259 52.037 -1.423 0.000 0.640 297 A CB -0.156 17.807 19.000 -1.728 0.000 0.825 297 A HN 0.256 nan 8.150 nan 0.000 0.447 298 A N -1.335 121.138 122.820 -0.578 0.000 2.119 298 A HA 0.017 4.338 4.320 0.001 0.000 0.216 298 A C 2.007 179.381 177.584 -0.350 0.000 1.152 298 A CA 1.608 53.364 52.037 -0.467 0.000 0.708 298 A CB -0.246 18.311 19.000 -0.738 0.000 0.805 298 A HN 0.455 nan 8.150 nan 0.000 0.460 299 Q N -1.641 117.919 119.800 -0.400 0.000 2.096 299 Q HA -0.060 4.280 4.340 0.001 0.000 0.197 299 Q C 1.714 177.647 176.000 -0.111 0.000 0.964 299 Q CA 1.523 57.152 55.803 -0.290 0.000 0.838 299 Q CB -0.522 27.986 28.738 -0.383 0.000 0.906 299 Q HN 0.724 nan 8.270 nan 0.000 0.444 300 Y N -0.128 120.056 120.300 -0.194 0.000 2.274 300 Y HA -0.130 4.421 4.550 0.001 0.000 0.290 300 Y C 1.618 177.445 175.900 -0.122 0.000 1.145 300 Y CA 1.209 59.249 58.100 -0.100 0.000 1.203 300 Y CB 0.018 38.475 38.460 -0.005 0.000 0.984 300 Y HN 0.104 nan 8.280 nan 0.000 0.533 301 L N -0.090 121.063 121.223 -0.118 0.000 2.027 301 L HA -0.208 4.132 4.340 0.001 0.000 0.206 301 L C 2.538 179.347 176.870 -0.103 0.000 1.074 301 L CA 1.973 56.706 54.840 -0.179 0.000 0.745 301 L CB -0.532 41.442 42.059 -0.141 0.000 0.898 301 L HN 0.282 nan 8.230 nan 0.000 0.433 302 E N -0.074 120.095 120.200 -0.053 0.000 2.058 302 E HA -0.337 4.014 4.350 0.001 0.000 0.194 302 E C 2.072 178.684 176.600 0.021 0.000 0.997 302 E CA 1.841 58.286 56.400 0.075 0.000 0.801 302 E CB -0.097 29.687 29.700 0.141 0.000 0.746 302 E HN 0.473 nan 8.360 nan 0.000 0.450 303 Q N 0.377 120.131 119.800 -0.076 0.000 1.917 303 Q HA -0.188 4.153 4.340 0.001 0.000 0.205 303 Q C 2.265 178.174 176.000 -0.153 0.000 0.988 303 Q CA 2.494 58.229 55.803 -0.114 0.000 0.851 303 Q CB -0.347 28.289 28.738 -0.171 0.000 0.916 303 Q HN 0.243 nan 8.270 nan 0.000 0.424 304 S N 0.612 116.104 115.700 -0.346 0.000 2.421 304 S HA -0.280 4.190 4.470 0.001 0.000 0.239 304 S C 1.948 176.574 174.600 0.042 0.000 1.054 304 S CA 1.340 59.388 58.200 -0.254 0.000 1.035 304 S CB -0.655 62.274 63.200 -0.452 0.000 0.840 304 S HN 0.548 nan 8.310 nan 0.000 0.475 305 S N 2.286 118.039 115.700 0.088 0.000 2.361 305 S HA -0.194 4.277 4.470 0.001 0.000 0.214 305 S C 1.925 176.578 174.600 0.087 0.000 1.034 305 S CA 1.696 59.999 58.200 0.172 0.000 1.025 305 S CB -0.413 62.894 63.200 0.179 0.000 0.996 305 S HN 0.725 nan 8.310 nan 0.000 0.422 306 K N 0.956 121.392 120.400 0.059 0.000 2.360 306 K HA -0.004 4.316 4.320 0.001 0.000 0.201 306 K C 2.067 178.680 176.600 0.021 0.000 1.046 306 K CA 1.169 57.478 56.287 0.037 0.000 0.945 306 K CB -0.575 31.948 32.500 0.037 0.000 0.750 306 K HN 0.492 nan 8.250 nan 0.000 0.464 307 L N 0.928 122.158 121.223 0.013 0.000 2.610 307 L HA 0.086 4.426 4.340 0.001 0.000 0.232 307 L C 1.445 178.323 176.870 0.013 0.000 1.149 307 L CA 0.324 55.166 54.840 0.003 0.000 0.872 307 L CB 0.166 42.212 42.059 -0.021 0.000 0.992 307 L HN 0.207 nan 8.230 nan 0.000 0.447 308 L N -1.474 119.763 121.223 0.024 0.000 2.537 308 L HA 0.239 4.579 4.340 0.001 0.000 0.224 308 L C 2.472 179.342 176.870 0.001 0.000 1.065 308 L CA 0.615 55.463 54.840 0.014 0.000 0.860 308 L CB -0.250 41.817 42.059 0.013 0.000 1.086 308 L HN 0.199 nan 8.230 nan 0.000 0.482 309 A N 0.280 123.104 122.820 0.007 0.000 2.067 309 A HA -0.152 4.169 4.320 0.001 0.000 0.219 309 A C 1.997 179.582 177.584 0.001 0.000 1.158 309 A CA 1.282 53.320 52.037 0.002 0.000 0.661 309 A CB -0.194 18.811 19.000 0.009 0.000 0.801 309 A HN 0.438 nan 8.150 nan 0.000 0.452 310 E N -0.141 120.061 120.200 0.004 0.000 2.021 310 E HA -0.063 4.288 4.350 0.001 0.000 0.189 310 E C 1.265 177.866 176.600 0.001 0.000 0.980 310 E CA 0.812 57.214 56.400 0.003 0.000 0.803 310 E CB -0.139 29.565 29.700 0.005 0.000 0.766 310 E HN 0.428 nan 8.360 nan 0.000 0.449 311 K N 0.019 120.419 120.400 0.000 0.000 2.665 311 K HA -0.006 4.315 4.320 0.001 0.000 0.196 311 K C 0.789 177.386 176.600 -0.005 0.000 1.021 311 K CA 0.431 56.717 56.287 -0.001 0.000 1.066 311 K CB 0.041 32.541 32.500 0.000 0.000 0.849 311 K HN 0.368 nan 8.250 nan 0.000 0.500 312 G N 1.335 110.131 108.800 -0.006 0.000 2.304 312 G HA2 -0.298 3.662 3.960 0.001 0.000 0.252 312 G HA3 -0.298 3.662 3.960 0.001 0.000 0.252 312 G C 0.068 174.959 174.900 -0.016 0.000 1.014 312 G CA 0.228 45.322 45.100 -0.010 0.000 0.619 312 G HN 0.481 nan 8.290 nan 0.000 0.525 313 D N 1.455 121.843 120.400 -0.021 0.000 2.398 313 D HA 0.335 4.975 4.640 0.001 0.000 0.250 313 D C 1.834 178.107 176.300 -0.045 0.000 1.287 313 D CA -0.194 53.785 54.000 -0.035 0.000 0.992 313 D CB 0.011 40.786 40.800 -0.042 0.000 1.071 313 D HN 0.175 nan 8.370 nan 0.000 0.514 314 M N 2.230 121.806 119.600 -0.040 0.000 2.248 314 M HA -0.051 4.430 4.480 0.001 0.000 0.265 314 M C 1.598 177.864 176.300 -0.056 0.000 1.079 314 M CA 0.564 55.841 55.300 -0.039 0.000 1.150 314 M CB -0.878 31.706 32.600 -0.026 0.000 1.366 314 M HN 0.280 nan 8.290 nan 0.000 0.433 315 N N 1.075 119.738 118.700 -0.061 0.000 2.039 315 N HA -0.153 4.587 4.740 0.001 0.000 0.193 315 N C 1.425 176.860 175.510 -0.125 0.000 1.044 315 N CA 1.089 54.096 53.050 -0.072 0.000 0.847 315 N CB -0.786 37.666 38.487 -0.059 0.000 1.030 315 N HN 0.358 nan 8.380 nan 0.000 0.422 316 N N 1.175 119.779 118.700 -0.159 0.000 2.586 316 N HA -0.083 4.658 4.740 0.001 0.000 0.191 316 N C 1.089 176.344 175.510 -0.425 0.000 1.085 316 N CA 0.658 53.534 53.050 -0.290 0.000 0.921 316 N CB 0.151 38.495 38.487 -0.239 0.000 0.954 316 N HN 0.258 nan 8.380 nan 0.000 0.448 317 A N 0.796 123.478 122.820 -0.231 0.000 1.884 317 A HA 0.069 4.389 4.320 0.001 0.000 0.212 317 A C 1.925 179.462 177.584 -0.078 0.000 1.265 317 A CA 0.415 52.361 52.037 -0.151 0.000 0.626 317 A CB -0.160 18.807 19.000 -0.055 0.000 0.943 317 A HN 0.047 nan 8.150 nan 0.000 0.466 318 K N 0.146 120.518 120.400 -0.047 0.000 2.442 318 K HA -0.120 4.200 4.320 0.001 0.000 0.200 318 K C 1.571 178.180 176.600 0.015 0.000 1.045 318 K CA 0.745 57.033 56.287 0.001 0.000 0.937 318 K CB -0.800 31.697 32.500 -0.005 0.000 0.757 318 K HN 0.451 nan 8.250 nan 0.000 0.474 319 L N -0.170 121.020 121.223 -0.056 0.000 1.993 319 L HA -0.019 4.322 4.340 0.001 0.000 0.206 319 L C 2.130 179.085 176.870 0.143 0.000 1.074 319 L CA 1.482 56.303 54.840 -0.031 0.000 0.746 319 L CB -0.509 41.426 42.059 -0.206 0.000 0.896 319 L HN 0.070 nan 8.230 nan 0.000 0.435 320 F N -1.188 118.788 119.950 0.042 0.000 2.216 320 F HA -0.245 4.282 4.527 0.001 0.000 0.300 320 F C 2.842 178.688 175.800 0.077 0.000 1.085 320 F CA 0.793 58.819 58.000 0.044 0.000 1.326 320 F CB -0.457 38.553 39.000 0.018 0.000 1.027 320 F HN 0.263 nan 8.300 nan 0.000 0.497 321 S N 0.211 116.079 115.700 0.281 0.000 2.356 321 S HA -0.211 4.259 4.470 0.001 0.000 0.223 321 S C 1.705 176.480 174.600 0.291 0.000 1.032 321 S CA 1.832 60.193 58.200 0.269 0.000 1.005 321 S CB -0.356 62.946 63.200 0.170 0.000 0.867 321 S HN 0.243 nan 8.310 nan 0.000 0.449 322 D N 0.825 121.349 120.400 0.207 0.000 2.117 322 D HA -0.045 4.596 4.640 0.001 0.000 0.198 322 D C 2.119 178.538 176.300 0.198 0.000 0.982 322 D CA 0.821 54.934 54.000 0.187 0.000 0.828 322 D CB -0.358 40.516 40.800 0.124 0.000 0.967 322 D HN 0.444 nan 8.370 nan 0.000 0.464 323 E N 0.547 120.861 120.200 0.191 0.000 2.072 323 E HA -0.102 4.248 4.350 0.001 0.000 0.191 323 E C 1.966 178.630 176.600 0.107 0.000 0.985 323 E CA 0.790 57.281 56.400 0.152 0.000 0.801 323 E CB -0.037 29.771 29.700 0.180 0.000 0.750 323 E HN 0.129 nan 8.360 nan 0.000 0.452 324 A N 1.286 124.167 122.820 0.101 0.000 1.997 324 A HA -0.201 4.120 4.320 0.001 0.000 0.221 324 A C 2.370 179.934 177.584 -0.034 0.000 1.172 324 A CA 2.217 54.231 52.037 -0.038 0.000 0.645 324 A CB -0.617 18.329 19.000 -0.090 0.000 0.813 324 A HN 0.348 nan 8.150 nan 0.000 0.454 325 A N -0.452 122.461 122.820 0.155 0.000 1.968 325 A HA -0.143 4.177 4.320 0.001 0.000 0.217 325 A C 1.999 179.687 177.584 0.174 0.000 1.169 325 A CA 1.504 53.728 52.037 0.311 0.000 0.638 325 A CB -0.517 18.785 19.000 0.503 0.000 0.812 325 A HN 0.547 nan 8.150 nan 0.000 0.446 326 N N 0.191 118.953 118.700 0.103 0.000 2.396 326 N HA -0.065 4.676 4.740 0.001 0.000 0.180 326 N C 1.478 176.957 175.510 -0.052 0.000 1.028 326 N CA 0.778 53.845 53.050 0.029 0.000 0.893 326 N CB -0.144 38.377 38.487 0.056 0.000 0.967 326 N HN 0.383 nan 8.380 nan 0.000 0.440 327 I N 0.354 120.880 120.570 -0.074 0.000 2.315 327 I HA -0.253 3.918 4.170 0.001 0.000 0.248 327 I C 1.563 177.509 176.117 -0.284 0.000 1.117 327 I CA 0.928 62.158 61.300 -0.115 0.000 1.404 327 I CB -1.055 36.807 38.000 -0.231 0.000 1.071 327 I HN 0.114 nan 8.210 nan 0.000 0.419 328 Y N 1.270 121.325 120.300 -0.408 0.000 2.133 328 Y HA -0.179 4.372 4.550 0.001 0.000 0.287 328 Y C 2.730 178.113 175.900 -0.862 0.000 1.134 328 Y CA 1.230 58.896 58.100 -0.723 0.000 1.133 328 Y CB -0.444 37.310 38.460 -1.177 0.000 0.987 328 Y HN 0.092 nan 8.280 nan 0.000 0.502 329 E N 0.533 120.345 120.200 -0.647 0.000 2.048 329 E HA -0.267 4.084 4.350 0.001 0.000 0.202 329 E C 2.257 178.648 176.600 -0.348 0.000 1.021 329 E CA 1.558 57.712 56.400 -0.411 0.000 0.825 329 E CB -0.364 29.249 29.700 -0.144 0.000 0.756 329 E HN 0.445 nan 8.360 nan 0.000 0.454 330 R N 0.165 120.493 120.500 -0.288 0.000 2.115 330 R HA -0.199 4.142 4.340 0.001 0.000 0.239 330 R C 2.455 178.385 176.300 -0.617 0.000 1.133 330 R CA 1.724 57.646 56.100 -0.297 0.000 0.935 330 R CB -0.575 29.662 30.300 -0.104 0.000 0.853 330 R HN 0.192 nan 8.270 nan 0.000 0.433 331 A N 1.579 123.761 122.820 -1.063 0.000 1.903 331 A HA -0.199 4.122 4.320 0.001 0.000 0.219 331 A C 2.107 179.166 177.584 -0.875 0.000 1.191 331 A CA 2.050 53.097 52.037 -1.650 0.000 0.638 331 A CB -0.763 17.255 19.000 -1.638 0.000 0.823 331 A HN 0.534 nan 8.150 nan 0.000 0.451 332 I N -4.136 116.073 120.570 -0.602 0.000 3.749 332 I HA 0.243 4.413 4.170 0.001 0.000 0.314 332 I C 0.873 176.850 176.117 -0.232 0.000 1.267 332 I CA 1.027 62.106 61.300 -0.369 0.000 1.169 332 I CB 0.503 38.176 38.000 -0.545 0.000 1.009 332 I HN -0.014 nan 8.210 nan 0.000 0.444 333 S N -0.651 114.886 115.700 -0.273 0.000 2.733 333 S HA 0.138 4.608 4.470 0.001 0.000 0.247 333 S C 1.267 175.789 174.600 -0.130 0.000 1.043 333 S CA 0.399 58.508 58.200 -0.151 0.000 1.066 333 S CB 0.311 63.432 63.200 -0.130 0.000 1.045 333 S HN 0.769 nan 8.310 nan 0.000 0.586 334 T N -0.128 114.306 114.554 -0.200 0.000 3.257 334 T HA 0.345 4.696 4.350 0.001 0.000 0.176 334 T C 1.381 175.999 174.700 -0.135 0.000 0.892 334 T CA -0.210 61.812 62.100 -0.131 0.000 1.147 334 T CB -0.750 68.050 68.868 -0.113 0.000 1.840 334 T HN 0.094 nan 8.240 nan 0.000 0.375 335 L N 0.624 121.716 121.223 -0.218 0.000 2.240 335 L HA 0.411 4.751 4.340 0.001 0.000 0.211 335 L C 0.462 177.191 176.870 -0.234 0.000 1.106 335 L CA 0.726 55.407 54.840 -0.266 0.000 0.793 335 L CB -0.198 41.599 42.059 -0.438 0.000 0.927 335 L HN 0.323 nan 8.230 nan 0.000 0.446 336 L N -0.163 120.896 121.223 -0.273 0.000 2.495 336 L HA 0.234 4.575 4.340 0.001 0.000 0.248 336 L C 0.771 177.576 176.870 -0.107 0.000 1.229 336 L CA -0.150 54.585 54.840 -0.174 0.000 0.942 336 L CB 0.956 42.874 42.059 -0.234 0.000 1.242 336 L HN -0.022 nan 8.230 nan 0.000 0.484 337 K N 0.382 120.759 120.400 -0.039 0.000 2.243 337 K HA 0.062 4.382 4.320 0.001 0.000 0.201 337 K C 0.890 177.509 176.600 0.031 0.000 1.051 337 K CA 0.773 57.078 56.287 0.029 0.000 0.970 337 K CB 0.326 32.833 32.500 0.012 0.000 0.755 337 K HN 0.311 nan 8.250 nan 0.000 0.465 338 K N 1.370 121.745 120.400 -0.041 0.000 2.570 338 K HA 0.075 4.395 4.320 0.001 0.000 0.210 338 K C -0.412 176.094 176.600 -0.158 0.000 1.048 338 K CA -0.202 56.006 56.287 -0.131 0.000 1.167 338 K CB 0.136 32.581 32.500 -0.092 0.000 0.892 338 K HN -0.005 nan 8.250 nan 0.000 0.480 339 N N 1.418 120.061 118.700 -0.095 0.000 2.645 339 N HA 0.114 4.854 4.740 0.001 0.000 0.233 339 N C 0.965 176.382 175.510 -0.155 0.000 1.058 339 N CA -0.104 52.886 53.050 -0.101 0.000 0.942 339 N CB 0.480 38.933 38.487 -0.056 0.000 1.210 339 N HN 0.043 nan 8.380 nan 0.000 0.512 340 M N 1.568 120.952 119.600 -0.360 0.000 2.143 340 M HA -0.224 4.257 4.480 0.001 0.000 0.258 340 M C 1.528 177.339 176.300 -0.814 0.000 1.071 340 M CA 1.267 56.129 55.300 -0.730 0.000 1.088 340 M CB -0.319 31.800 32.600 -0.803 0.000 1.360 340 M HN 0.534 nan 8.290 nan 0.000 0.404 341 L N 0.933 121.913 121.223 -0.407 0.000 1.971 341 L HA -0.195 4.146 4.340 0.001 0.000 0.215 341 L C 2.156 178.978 176.870 -0.081 0.000 1.072 341 L CA 1.992 56.700 54.840 -0.220 0.000 0.758 341 L CB -0.779 41.205 42.059 -0.125 0.000 0.889 341 L HN 0.252 nan 8.230 nan 0.000 0.433 342 L N -2.333 118.875 121.223 -0.025 0.000 2.201 342 L HA -0.232 4.109 4.340 0.001 0.000 0.212 342 L C 2.335 179.271 176.870 0.110 0.000 1.105 342 L CA 0.998 55.881 54.840 0.073 0.000 0.775 342 L CB -0.629 41.397 42.059 -0.055 0.000 0.913 342 L HN 0.282 nan 8.230 nan 0.000 0.440 343 Y N -0.514 119.722 120.300 -0.106 0.000 2.109 343 Y HA -0.235 4.316 4.550 0.001 0.000 0.285 343 Y C 2.407 178.319 175.900 0.019 0.000 1.131 343 Y CA 1.896 59.955 58.100 -0.068 0.000 1.121 343 Y CB -0.402 37.929 38.460 -0.215 0.000 0.987 343 Y HN -0.037 nan 8.280 nan 0.000 0.495 344 F N -0.778 119.189 119.950 0.028 0.000 2.065 344 F HA -0.339 4.189 4.527 0.001 0.000 0.298 344 F C 2.576 178.368 175.800 -0.012 0.000 1.112 344 F CA 0.341 58.307 58.000 -0.056 0.000 1.212 344 F CB -0.696 38.322 39.000 0.030 0.000 0.975 344 F HN 0.075 nan 8.300 nan 0.000 0.476 345 A N -0.637 122.353 122.820 0.284 0.000 2.024 345 A HA -0.258 4.063 4.320 0.001 0.000 0.220 345 A C 1.926 179.536 177.584 0.043 0.000 1.164 345 A CA 1.429 53.648 52.037 0.304 0.000 0.643 345 A CB -1.310 18.012 19.000 0.536 0.000 0.806 345 A HN 0.640 nan 8.150 nan 0.000 0.451 346 Y N -0.370 119.796 120.300 -0.223 0.000 2.138 346 Y HA 0.027 4.577 4.550 0.001 0.000 0.286 346 Y C 2.805 178.485 175.900 -0.367 0.000 1.115 346 Y CA 0.755 58.514 58.100 -0.569 0.000 1.105 346 Y CB -0.280 37.983 38.460 -0.328 0.000 1.004 346 Y HN 0.358 nan 8.280 nan 0.000 0.494 347 A N 0.808 123.448 122.820 -0.299 0.000 1.915 347 A HA -0.328 3.993 4.320 0.001 0.000 0.220 347 A C 1.675 179.105 177.584 -0.257 0.000 1.198 347 A CA 2.475 54.215 52.037 -0.496 0.000 0.647 347 A CB -1.101 17.374 19.000 -0.874 0.000 0.825 347 A HN 0.610 nan 8.150 nan 0.000 0.456 348 D N -1.980 118.365 120.400 -0.092 0.000 2.092 348 D HA -0.170 4.470 4.640 0.001 0.000 0.193 348 D C 1.720 178.029 176.300 0.015 0.000 0.994 348 D CA 1.696 55.703 54.000 0.011 0.000 0.828 348 D CB -0.561 40.297 40.800 0.097 0.000 0.963 348 D HN 0.586 nan 8.370 nan 0.000 0.450 349 Y N 1.826 122.037 120.300 -0.147 0.000 2.114 349 Y HA -0.232 4.318 4.550 0.001 0.000 0.282 349 Y C 2.048 177.893 175.900 -0.091 0.000 1.165 349 Y CA 1.632 59.651 58.100 -0.135 0.000 1.148 349 Y CB -0.033 38.242 38.460 -0.307 0.000 0.972 349 Y HN -0.108 nan 8.280 nan 0.000 0.504 350 E N 0.231 120.335 120.200 -0.159 0.000 2.150 350 E HA -0.222 4.129 4.350 0.001 0.000 0.193 350 E C 2.116 178.654 176.600 -0.102 0.000 0.985 350 E CA 1.336 57.613 56.400 -0.206 0.000 0.814 350 E CB -0.351 29.194 29.700 -0.259 0.000 0.752 350 E HN 0.756 nan 8.360 nan 0.000 0.466 351 E N 0.955 121.110 120.200 -0.075 0.000 2.106 351 E HA -0.149 4.202 4.350 0.001 0.000 0.192 351 E C 2.031 178.702 176.600 0.118 0.000 0.984 351 E CA 1.405 57.834 56.400 0.048 0.000 0.806 351 E CB 0.069 29.780 29.700 0.019 0.000 0.750 351 E HN 0.178 nan 8.360 nan 0.000 0.458 352 S N 0.522 116.225 115.700 0.005 0.000 2.383 352 S HA -0.113 4.358 4.470 0.001 0.000 0.227 352 S C 1.838 176.421 174.600 -0.028 0.000 1.026 352 S CA 0.650 58.852 58.200 0.002 0.000 0.981 352 S CB -0.347 62.828 63.200 -0.041 0.000 0.818 352 S HN 0.246 nan 8.310 nan 0.000 0.472 353 R N 0.579 120.995 120.500 -0.139 0.000 2.328 353 R HA 0.277 4.617 4.340 0.001 0.000 0.200 353 R C 0.237 176.522 176.300 -0.026 0.000 0.983 353 R CA 0.571 56.590 56.100 -0.136 0.000 1.062 353 R CB -0.675 29.468 30.300 -0.262 0.000 0.956 353 R HN 0.488 nan 8.270 nan 0.000 0.479 354 M N -0.686 118.982 119.600 0.112 0.000 2.856 354 M HA -0.256 4.224 4.480 0.001 0.000 0.189 354 M C -0.318 175.990 176.300 0.014 0.000 0.612 354 M CA 1.336 56.693 55.300 0.096 0.000 0.673 354 M CB -1.185 31.336 32.600 -0.133 0.000 2.440 354 M HN -0.013 nan 8.290 nan 0.000 0.437 355 K N 0.345 120.834 120.400 0.147 0.000 3.006 355 K HA 0.175 4.495 4.320 0.001 0.000 0.262 355 K C 0.490 177.256 176.600 0.277 0.000 1.289 355 K CA -0.218 56.135 56.287 0.111 0.000 1.245 355 K CB -0.196 32.319 32.500 0.024 0.000 1.614 355 K HN 0.497 nan 8.250 nan 0.000 0.322 356 Y N -0.300 120.064 120.300 0.107 0.000 2.425 356 Y HA -0.316 4.235 4.550 0.001 0.000 0.285 356 Y C 2.239 178.308 175.900 0.282 0.000 1.170 356 Y CA 0.076 58.322 58.100 0.243 0.000 1.304 356 Y CB 0.030 38.661 38.460 0.286 0.000 0.972 356 Y HN 0.435 nan 8.280 nan 0.000 0.558 357 E N 1.303 121.696 120.200 0.321 0.000 2.028 357 E HA -0.158 4.193 4.350 0.001 0.000 0.190 357 E C 2.051 178.753 176.600 0.170 0.000 0.984 357 E CA 1.202 57.745 56.400 0.238 0.000 0.800 357 E CB -0.132 29.643 29.700 0.125 0.000 0.758 357 E HN 0.213 nan 8.360 nan 0.000 0.448 358 K N -0.153 120.288 120.400 0.068 0.000 2.063 358 K HA -0.117 4.203 4.320 0.001 0.000 0.208 358 K C 1.997 178.512 176.600 -0.143 0.000 1.048 358 K CA 1.375 57.635 56.287 -0.046 0.000 0.928 358 K CB -0.118 32.320 32.500 -0.102 0.000 0.713 358 K HN 0.058 nan 8.250 nan 0.000 0.442 359 V N 1.304 121.117 119.914 -0.169 0.000 2.282 359 V HA -0.317 3.803 4.120 0.001 0.000 0.249 359 V C 2.337 178.243 176.094 -0.313 0.000 1.057 359 V CA 1.992 64.056 62.300 -0.394 0.000 1.032 359 V CB -0.746 30.694 31.823 -0.638 0.000 0.645 359 V HN 0.466 nan 8.190 nan 0.000 0.447 360 H N 0.665 119.668 119.070 -0.111 0.000 2.319 360 H HA -0.145 4.411 4.556 0.001 0.000 0.299 360 H C 2.648 177.945 175.328 -0.052 0.000 1.092 360 H CA 2.195 58.253 56.048 0.016 0.000 1.302 360 H CB -0.349 29.530 29.762 0.196 0.000 1.373 360 H HN 0.652 nan 8.280 nan 0.000 0.497 361 S N 0.588 116.337 115.700 0.082 0.000 2.368 361 S HA -0.115 4.355 4.470 0.001 0.000 0.225 361 S C 2.337 176.909 174.600 -0.048 0.000 1.030 361 S CA 1.175 59.390 58.200 0.026 0.000 0.999 361 S CB -0.774 62.431 63.200 0.010 0.000 0.844 361 S HN 0.312 nan 8.310 nan 0.000 0.459 362 I N 0.215 120.676 120.570 -0.181 0.000 2.142 362 I HA -0.190 3.981 4.170 0.001 0.000 0.240 362 I C 2.483 178.508 176.117 -0.153 0.000 1.078 362 I CA 1.790 62.945 61.300 -0.242 0.000 1.343 362 I CB -0.646 37.032 38.000 -0.536 0.000 1.046 362 I HN 0.226 nan 8.210 nan 0.000 0.405 363 Y N 1.031 121.137 120.300 -0.322 0.000 2.224 363 Y HA -0.211 4.339 4.550 0.001 0.000 0.289 363 Y C 2.506 178.254 175.900 -0.254 0.000 1.146 363 Y CA 1.329 59.174 58.100 -0.424 0.000 1.182 363 Y CB -0.420 37.286 38.460 -1.257 0.000 0.983 363 Y HN 0.236 nan 8.280 nan 0.000 0.524 364 N N -0.170 118.517 118.700 -0.021 0.000 2.409 364 N HA -0.109 4.631 4.740 0.001 0.000 0.179 364 N C 1.898 177.455 175.510 0.077 0.000 1.032 364 N CA 0.646 53.749 53.050 0.087 0.000 0.898 364 N CB -0.215 38.362 38.487 0.150 0.000 0.971 364 N HN 0.373 nan 8.380 nan 0.000 0.441 365 R N 0.533 121.086 120.500 0.089 0.000 2.092 365 R HA -0.042 4.299 4.340 0.001 0.000 0.231 365 R C 2.002 178.350 176.300 0.080 0.000 1.119 365 R CA 0.711 56.883 56.100 0.119 0.000 0.970 365 R CB -0.196 30.215 30.300 0.184 0.000 0.864 365 R HN 0.035 nan 8.270 nan 0.000 0.440 366 L N 1.199 122.441 121.223 0.031 0.000 2.017 366 L HA -0.109 4.231 4.340 0.001 0.000 0.208 366 L C 2.005 178.759 176.870 -0.194 0.000 1.073 366 L CA 1.629 56.273 54.840 -0.327 0.000 0.745 366 L CB -0.521 41.218 42.059 -0.533 0.000 0.894 366 L HN 0.232 nan 8.230 nan 0.000 0.432 367 L N -0.728 120.437 121.223 -0.096 0.000 2.083 367 L HA -0.201 4.140 4.340 0.001 0.000 0.209 367 L C 2.636 179.493 176.870 -0.022 0.000 1.083 367 L CA 1.103 55.896 54.840 -0.078 0.000 0.752 367 L CB -0.900 41.154 42.059 -0.009 0.000 0.899 367 L HN 0.373 nan 8.230 nan 0.000 0.433 368 A N 0.261 123.085 122.820 0.006 0.000 1.948 368 A HA -0.140 4.180 4.320 0.001 0.000 0.220 368 A C 1.313 178.898 177.584 0.001 0.000 1.177 368 A CA 0.798 52.849 52.037 0.023 0.000 0.636 368 A CB -0.794 18.229 19.000 0.038 0.000 0.815 368 A HN 0.315 nan 8.150 nan 0.000 0.449 369 I N 1.129 121.679 120.570 -0.034 0.000 2.662 369 I HA -0.065 4.106 4.170 0.001 0.000 0.285 369 I C 1.317 177.416 176.117 -0.031 0.000 1.161 369 I CA -0.397 60.879 61.300 -0.041 0.000 1.415 369 I CB 0.403 38.351 38.000 -0.087 0.000 1.385 369 I HN 0.377 nan 8.210 nan 0.000 0.552 370 E N 4.923 125.116 120.200 -0.012 0.000 2.072 370 E HA -0.255 4.095 4.350 0.001 0.000 0.218 370 E C 0.367 176.962 176.600 -0.008 0.000 1.051 370 E CA 1.859 58.258 56.400 -0.003 0.000 0.880 370 E CB -0.312 29.389 29.700 0.001 0.000 0.783 370 E HN 0.846 nan 8.360 nan 0.000 0.473 371 D N -0.453 119.937 120.400 -0.017 0.000 2.381 371 D HA 0.520 5.161 4.640 0.001 0.000 0.235 371 D C 0.275 176.551 176.300 -0.041 0.000 1.068 371 D CA -0.592 53.396 54.000 -0.019 0.000 0.832 371 D CB 0.751 41.545 40.800 -0.010 0.000 1.101 371 D HN 0.248 nan 8.370 nan 0.000 0.515 372 I N -1.947 118.597 120.570 -0.044 0.000 3.016 372 I HA 0.435 4.606 4.170 0.001 0.000 0.307 372 I C -1.939 174.150 176.117 -0.047 0.000 1.516 372 I CA -1.134 60.125 61.300 -0.068 0.000 0.938 372 I CB 2.276 40.205 38.000 -0.119 0.000 1.335 372 I HN 0.167 nan 8.210 nan 0.000 0.553 373 D N 3.280 123.649 120.400 -0.052 0.000 2.499 373 D HA 0.432 5.073 4.640 0.001 0.000 0.225 373 D C -1.866 174.407 176.300 -0.045 0.000 1.124 373 D CA -2.230 51.751 54.000 -0.031 0.000 0.938 373 D CB 1.305 42.082 40.800 -0.038 0.000 1.014 373 D HN 0.301 nan 8.370 nan 0.000 0.517 374 P HA -0.159 nan 4.420 nan 0.000 0.218 374 P C 1.302 178.553 177.300 -0.081 0.000 1.146 374 P CA 1.071 64.089 63.100 -0.136 0.000 0.820 374 P CB 0.265 31.898 31.700 -0.112 0.000 0.778 375 T N 0.149 114.735 114.554 0.053 0.000 2.594 375 T HA -0.251 4.099 4.350 0.001 0.000 0.266 375 T C 1.635 176.373 174.700 0.064 0.000 1.070 375 T CA 1.687 63.843 62.100 0.093 0.000 1.166 375 T CB -1.124 67.717 68.868 -0.045 0.000 0.862 375 T HN 0.056 nan 8.240 nan 0.000 0.436 376 L N 1.088 122.322 121.223 0.019 0.000 2.042 376 L HA -0.073 4.267 4.340 0.001 0.000 0.210 376 L C 2.542 179.511 176.870 0.165 0.000 1.076 376 L CA 1.438 56.331 54.840 0.089 0.000 0.749 376 L CB -0.764 41.376 42.059 0.135 0.000 0.893 376 L HN 0.151 nan 8.230 nan 0.000 0.432 377 V N -1.194 118.838 119.914 0.197 0.000 2.332 377 V HA -0.380 3.740 4.120 0.001 0.000 0.248 377 V C 2.246 178.409 176.094 0.114 0.000 1.055 377 V CA 2.221 64.667 62.300 0.244 0.000 1.038 377 V CB -1.084 30.790 31.823 0.084 0.000 0.651 377 V HN 0.462 nan 8.190 nan 0.000 0.450 378 Y N -0.230 120.165 120.300 0.157 0.000 2.145 378 Y HA -0.213 4.338 4.550 0.001 0.000 0.286 378 Y C 2.453 178.363 175.900 0.017 0.000 1.145 378 Y CA 1.674 59.838 58.100 0.107 0.000 1.148 378 Y CB -0.259 38.242 38.460 0.068 0.000 0.981 378 Y HN 0.164 nan 8.280 nan 0.000 0.507 379 I N -0.388 120.266 120.570 0.142 0.000 2.208 379 I HA -0.320 3.850 4.170 0.001 0.000 0.245 379 I C 2.427 178.512 176.117 -0.054 0.000 1.097 379 I CA 1.399 62.712 61.300 0.022 0.000 1.363 379 I CB -0.319 37.693 38.000 0.019 0.000 1.051 379 I HN 0.237 nan 8.210 nan 0.000 0.413 380 Q N 0.285 120.016 119.800 -0.116 0.000 2.123 380 Q HA -0.206 4.135 4.340 0.001 0.000 0.199 380 Q C 2.067 177.933 176.000 -0.224 0.000 0.966 380 Q CA 1.646 57.281 55.803 -0.280 0.000 0.845 380 Q CB -0.497 27.714 28.738 -0.879 0.000 0.907 380 Q HN 0.616 nan 8.270 nan 0.000 0.439 381 Y N -0.508 119.518 120.300 -0.457 0.000 2.133 381 Y HA -0.218 4.333 4.550 0.001 0.000 0.287 381 Y C 2.183 177.863 175.900 -0.366 0.000 1.134 381 Y CA 1.213 58.783 58.100 -0.883 0.000 1.133 381 Y CB -0.020 38.136 38.460 -0.507 0.000 0.987 381 Y HN 0.220 nan 8.280 nan 0.000 0.502 382 M N 0.785 120.315 119.600 -0.118 0.000 2.279 382 M HA -0.230 4.251 4.480 0.001 0.000 0.264 382 M C 2.142 178.344 176.300 -0.162 0.000 1.062 382 M CA 1.737 56.928 55.300 -0.183 0.000 1.099 382 M CB -0.138 32.377 32.600 -0.142 0.000 1.394 382 M HN 0.168 nan 8.290 nan 0.000 0.426 383 K N -0.169 120.159 120.400 -0.119 0.000 2.116 383 K HA -0.154 4.167 4.320 0.001 0.000 0.203 383 K C 1.823 178.361 176.600 -0.102 0.000 1.052 383 K CA 1.195 57.420 56.287 -0.103 0.000 0.952 383 K CB -0.319 32.136 32.500 -0.075 0.000 0.729 383 K HN 0.405 nan 8.250 nan 0.000 0.446 384 F N 1.552 121.376 119.950 -0.210 0.000 2.113 384 F HA -0.055 4.473 4.527 0.001 0.000 0.297 384 F C 1.929 177.599 175.800 -0.217 0.000 1.103 384 F CA 1.358 59.234 58.000 -0.206 0.000 1.248 384 F CB -0.767 38.086 39.000 -0.245 0.000 0.999 384 F HN 0.049 nan 8.300 nan 0.000 0.475 385 A N 1.669 124.060 122.820 -0.716 0.000 1.852 385 A HA -0.270 4.051 4.320 0.001 0.000 0.217 385 A C 2.502 179.769 177.584 -0.528 0.000 1.215 385 A CA 2.276 53.855 52.037 -0.763 0.000 0.641 385 A CB -1.355 17.433 19.000 -0.354 0.000 0.838 385 A HN 0.528 nan 8.150 nan 0.000 0.450 386 R N -0.702 119.604 120.500 -0.324 0.000 2.122 386 R HA -0.219 4.121 4.340 0.001 0.000 0.236 386 R C 2.506 178.666 176.300 -0.233 0.000 1.129 386 R CA 2.022 57.988 56.100 -0.223 0.000 0.925 386 R CB -0.447 29.755 30.300 -0.163 0.000 0.850 386 R HN 0.576 nan 8.270 nan 0.000 0.431 387 R N -0.022 120.337 120.500 -0.236 0.000 2.226 387 R HA -0.169 4.171 4.340 0.001 0.000 0.246 387 R C 1.198 177.355 176.300 -0.239 0.000 1.161 387 R CA 1.914 57.896 56.100 -0.196 0.000 0.997 387 R CB -0.051 30.156 30.300 -0.155 0.000 0.870 387 R HN 0.395 nan 8.270 nan 0.000 0.465 388 A N -0.595 121.973 122.820 -0.421 0.000 2.226 388 A HA 0.168 4.489 4.320 0.001 0.000 0.207 388 A C 0.807 178.255 177.584 -0.228 0.000 1.293 388 A CA -0.207 51.582 52.037 -0.413 0.000 0.968 388 A CB 0.702 19.164 19.000 -0.897 0.000 1.044 388 A HN 0.391 nan 8.150 nan 0.000 0.493 389 E N -0.316 119.719 120.200 -0.275 0.000 2.714 389 E HA 0.415 4.766 4.350 0.001 0.000 0.219 389 E C 0.417 176.970 176.600 -0.078 0.000 0.979 389 E CA 0.098 56.439 56.400 -0.098 0.000 1.092 389 E CB 0.980 30.641 29.700 -0.064 0.000 1.049 389 E HN 0.696 nan 8.360 nan 0.000 0.487 390 G N 1.612 110.349 108.800 -0.105 0.000 2.699 390 G HA2 -0.214 3.746 3.960 0.001 0.000 0.686 390 G HA3 -0.214 3.746 3.960 0.001 0.000 0.686 390 G C 0.445 175.295 174.900 -0.084 0.000 1.301 390 G CA -0.657 44.398 45.100 -0.075 0.000 0.816 390 G HN 0.038 nan 8.290 nan 0.000 0.595 391 I N 0.464 120.996 120.570 -0.064 0.000 2.315 391 I HA -0.139 4.032 4.170 0.001 0.000 0.251 391 I C 2.652 178.736 176.117 -0.055 0.000 1.125 391 I CA 2.333 63.596 61.300 -0.061 0.000 1.392 391 I CB -0.848 37.126 38.000 -0.043 0.000 1.065 391 I HN 0.736 nan 8.210 nan 0.000 0.424 392 K N 0.569 120.943 120.400 -0.044 0.000 2.044 392 K HA -0.131 4.189 4.320 0.001 0.000 0.204 392 K C 2.360 178.933 176.600 -0.046 0.000 1.049 392 K CA 1.376 57.641 56.287 -0.037 0.000 0.945 392 K CB -0.014 32.470 32.500 -0.026 0.000 0.724 392 K HN 0.118 nan 8.250 nan 0.000 0.440 393 S N 0.093 115.763 115.700 -0.049 0.000 2.372 393 S HA -0.174 4.296 4.470 0.001 0.000 0.227 393 S C 1.990 176.537 174.600 -0.088 0.000 1.044 393 S CA 1.965 60.137 58.200 -0.047 0.000 1.050 393 S CB -0.729 62.441 63.200 -0.051 0.000 0.901 393 S HN 0.586 nan 8.310 nan 0.000 0.447 394 G N 1.141 109.870 108.800 -0.117 0.000 2.446 394 G HA2 -0.209 3.751 3.960 0.001 0.000 0.217 394 G HA3 -0.209 3.751 3.960 0.001 0.000 0.217 394 G C 1.529 176.375 174.900 -0.090 0.000 1.168 394 G CA 0.670 45.685 45.100 -0.141 0.000 0.771 394 G HN 0.589 nan 8.290 nan 0.000 0.551 395 R N -0.491 119.980 120.500 -0.048 0.000 2.237 395 R HA 0.089 4.430 4.340 0.001 0.000 0.219 395 R C 2.545 178.828 176.300 -0.029 0.000 1.080 395 R CA 0.596 56.703 56.100 0.011 0.000 0.995 395 R CB -0.207 30.098 30.300 0.007 0.000 0.875 395 R HN 0.322 nan 8.270 nan 0.000 0.462 396 M N 0.368 119.930 119.600 -0.063 0.000 2.062 396 M HA -0.133 4.347 4.480 0.001 0.000 0.259 396 M C 2.272 178.501 176.300 -0.118 0.000 1.076 396 M CA 1.532 56.785 55.300 -0.080 0.000 1.122 396 M CB -0.604 31.961 32.600 -0.059 0.000 1.312 396 M HN 0.041 nan 8.290 nan 0.000 0.412 397 I N 0.040 120.506 120.570 -0.173 0.000 2.113 397 I HA -0.352 3.819 4.170 0.001 0.000 0.242 397 I C 2.553 178.573 176.117 -0.162 0.000 1.064 397 I CA 1.749 62.898 61.300 -0.252 0.000 1.320 397 I CB -1.709 36.013 38.000 -0.463 0.000 1.028 397 I HN 0.278 nan 8.210 nan 0.000 0.406 398 F N 1.779 121.555 119.950 -0.290 0.000 2.115 398 F HA -0.356 4.172 4.527 0.001 0.000 0.300 398 F C 2.779 178.370 175.800 -0.347 0.000 1.092 398 F CA 2.024 59.829 58.000 -0.324 0.000 1.245 398 F CB -0.038 38.792 39.000 -0.282 0.000 0.995 398 F HN 0.039 nan 8.300 nan 0.000 0.481 399 K N 0.711 120.898 120.400 -0.355 0.000 2.057 399 K HA -0.212 4.108 4.320 0.001 0.000 0.207 399 K C 1.994 178.377 176.600 -0.362 0.000 1.049 399 K CA 1.649 57.681 56.287 -0.424 0.000 0.931 399 K CB -0.087 32.260 32.500 -0.254 0.000 0.714 399 K HN 0.272 nan 8.250 nan 0.000 0.440 400 K N 0.042 120.270 120.400 -0.287 0.000 2.057 400 K HA -0.096 4.225 4.320 0.001 0.000 0.206 400 K C 2.209 178.504 176.600 -0.507 0.000 1.050 400 K CA 1.071 57.206 56.287 -0.253 0.000 0.935 400 K CB -0.166 32.278 32.500 -0.093 0.000 0.715 400 K HN 0.183 nan 8.250 nan 0.000 0.439 401 A N 2.162 124.486 122.820 -0.826 0.000 1.892 401 A HA -0.224 4.096 4.320 0.001 0.000 0.218 401 A C 2.065 179.290 177.584 -0.598 0.000 1.188 401 A CA 1.578 52.846 52.037 -1.282 0.000 0.631 401 A CB -0.511 18.012 19.000 -0.794 0.000 0.822 401 A HN 0.264 nan 8.150 nan 0.000 0.447 402 R N -0.209 119.990 120.500 -0.502 0.000 2.189 402 R HA -0.079 4.261 4.340 0.001 0.000 0.223 402 R C 1.085 177.284 176.300 -0.168 0.000 1.092 402 R CA 1.325 57.233 56.100 -0.320 0.000 0.989 402 R CB -0.232 29.770 30.300 -0.497 0.000 0.876 402 R HN 0.675 nan 8.270 nan 0.000 0.457 403 E N 0.609 120.690 120.200 -0.200 0.000 2.437 403 E HA -0.007 4.343 4.350 0.001 0.000 0.189 403 E C -0.460 176.114 176.600 -0.043 0.000 1.054 403 E CA -0.104 56.232 56.400 -0.107 0.000 0.874 403 E CB 0.253 29.890 29.700 -0.107 0.000 1.011 403 E HN 0.081 nan 8.360 nan 0.000 0.474 404 D N 0.159 120.543 120.400 -0.027 0.000 2.392 404 D HA 0.222 4.862 4.640 0.001 0.000 0.228 404 D C 0.777 177.136 176.300 0.099 0.000 1.074 404 D CA -0.368 53.682 54.000 0.083 0.000 0.838 404 D CB 1.262 42.202 40.800 0.233 0.000 1.067 404 D HN 0.024 nan 8.370 nan 0.000 0.511 405 A N 4.767 127.634 122.820 0.078 0.000 2.093 405 A HA -0.234 4.086 4.320 0.001 0.000 0.222 405 A C 1.998 179.646 177.584 0.107 0.000 1.162 405 A CA 1.338 53.419 52.037 0.074 0.000 0.655 405 A CB -0.189 18.841 19.000 0.050 0.000 0.805 405 A HN 0.650 nan 8.150 nan 0.000 0.461 406 R N -0.694 119.884 120.500 0.129 0.000 2.075 406 R HA -0.006 4.334 4.340 0.001 0.000 0.226 406 R C 0.334 176.741 176.300 0.178 0.000 1.114 406 R CA 0.839 57.021 56.100 0.136 0.000 0.972 406 R CB -0.833 29.540 30.300 0.120 0.000 0.869 406 R HN 0.368 nan 8.270 nan 0.000 0.437 407 T N 2.947 117.644 114.554 0.238 0.000 2.765 407 T HA -0.065 4.285 4.350 0.001 0.000 0.275 407 T C 0.435 175.296 174.700 0.268 0.000 1.007 407 T CA 0.721 62.983 62.100 0.271 0.000 1.175 407 T CB 0.218 69.241 68.868 0.259 0.000 0.993 407 T HN 0.174 nan 8.240 nan 0.000 0.510 408 R N 1.816 122.420 120.500 0.173 0.000 2.553 408 R HA 0.244 4.585 4.340 0.001 0.000 0.263 408 R C 2.101 178.270 176.300 -0.219 0.000 1.066 408 R CA -0.938 55.213 56.100 0.084 0.000 1.135 408 R CB 0.357 30.721 30.300 0.107 0.000 1.148 408 R HN 0.856 nan 8.270 nan 0.000 0.558 409 H N 1.176 119.731 119.070 -0.858 0.000 2.400 409 H HA -0.228 4.329 4.556 0.001 0.000 0.295 409 H C 1.012 176.212 175.328 -0.213 0.000 1.118 409 H CA 2.304 57.635 56.048 -1.195 0.000 1.256 409 H CB -0.326 28.780 29.762 -1.094 0.000 1.365 409 H HN 0.665 nan 8.280 nan 0.000 0.502 410 H N 0.438 118.991 119.070 -0.862 0.000 2.437 410 H HA -0.117 4.440 4.556 0.001 0.000 0.296 410 H C 2.613 177.886 175.328 -0.092 0.000 1.121 410 H CA 1.562 57.378 56.048 -0.387 0.000 1.255 410 H CB -0.581 28.974 29.762 -0.344 0.000 1.366 410 H HN 0.327 nan 8.280 nan 0.000 0.512 411 V N -0.094 119.878 119.914 0.096 0.000 2.548 411 V HA -0.216 3.905 4.120 0.001 0.000 0.249 411 V C 1.403 177.453 176.094 -0.073 0.000 1.055 411 V CA 1.350 63.667 62.300 0.028 0.000 1.065 411 V CB -0.461 31.400 31.823 0.064 0.000 0.681 411 V HN 0.384 nan 8.190 nan 0.000 0.462 412 Y N -0.428 119.860 120.300 -0.020 0.000 2.421 412 Y HA -0.083 4.468 4.550 0.001 0.000 0.292 412 Y C 2.338 178.059 175.900 -0.298 0.000 1.136 412 Y CA 1.687 59.746 58.100 -0.068 0.000 1.255 412 Y CB -0.435 38.075 38.460 0.083 0.000 0.991 412 Y HN 0.149 nan 8.280 nan 0.000 0.552 413 V N -1.301 118.609 119.914 -0.007 0.000 2.302 413 V HA -0.240 3.881 4.120 0.001 0.000 0.243 413 V C 2.248 178.182 176.094 -0.266 0.000 1.036 413 V CA 2.211 64.400 62.300 -0.185 0.000 1.020 413 V CB -1.000 30.868 31.823 0.074 0.000 0.657 413 V HN 0.318 nan 8.190 nan 0.000 0.453 414 T N 0.510 114.973 114.554 -0.150 0.000 2.624 414 T HA -0.279 4.071 4.350 0.001 0.000 0.268 414 T C 2.026 176.557 174.700 -0.282 0.000 1.041 414 T CA 2.158 64.169 62.100 -0.149 0.000 1.159 414 T CB -0.501 68.306 68.868 -0.103 0.000 0.863 414 T HN 0.570 nan 8.240 nan 0.000 0.434 415 A N 1.397 123.929 122.820 -0.480 0.000 1.851 415 A HA 0.061 4.381 4.320 0.001 0.000 0.216 415 A C 2.681 179.926 177.584 -0.564 0.000 1.195 415 A CA 2.301 53.916 52.037 -0.702 0.000 0.622 415 A CB -1.392 16.690 19.000 -1.530 0.000 0.831 415 A HN 0.551 nan 8.150 nan 0.000 0.444 416 A N -0.209 122.226 122.820 -0.642 0.000 1.892 416 A HA -0.160 4.160 4.320 0.001 0.000 0.218 416 A C 2.191 179.501 177.584 -0.455 0.000 1.188 416 A CA 1.788 53.436 52.037 -0.647 0.000 0.631 416 A CB -0.786 17.410 19.000 -1.339 0.000 0.822 416 A HN 0.514 nan 8.150 nan 0.000 0.447 417 L N -1.587 119.389 121.223 -0.411 0.000 2.083 417 L HA -0.212 4.128 4.340 0.001 0.000 0.209 417 L C 2.812 179.616 176.870 -0.110 0.000 1.083 417 L CA 1.782 56.456 54.840 -0.277 0.000 0.752 417 L CB -0.600 41.399 42.059 -0.101 0.000 0.899 417 L HN 0.565 nan 8.230 nan 0.000 0.433 418 M N -0.209 119.336 119.600 -0.092 0.000 2.082 418 M HA -0.239 4.242 4.480 0.001 0.000 0.258 418 M C 2.272 178.559 176.300 -0.023 0.000 1.069 418 M CA 1.743 57.026 55.300 -0.030 0.000 1.102 418 M CB -0.025 32.499 32.600 -0.127 0.000 1.336 418 M HN 0.177 nan 8.290 nan 0.000 0.404 419 E N -0.202 119.952 120.200 -0.076 0.000 2.005 419 E HA -0.266 4.084 4.350 0.001 0.000 0.198 419 E C 1.761 178.375 176.600 0.023 0.000 1.010 419 E CA 1.942 58.323 56.400 -0.031 0.000 0.825 419 E CB -1.258 28.421 29.700 -0.035 0.000 0.769 419 E HN 0.662 nan 8.360 nan 0.000 0.456 420 Y N 0.758 120.995 120.300 -0.104 0.000 2.030 420 Y HA -0.346 4.205 4.550 0.001 0.000 0.272 420 Y C 2.369 178.266 175.900 -0.007 0.000 1.185 420 Y CA 2.173 60.224 58.100 -0.083 0.000 1.120 420 Y CB -0.864 37.462 38.460 -0.224 0.000 0.955 420 Y HN 0.159 nan 8.280 nan 0.000 0.495 421 Y N -2.105 118.248 120.300 0.087 0.000 2.439 421 Y HA -0.198 4.353 4.550 0.001 0.000 0.292 421 Y C 2.477 178.342 175.900 -0.059 0.000 1.130 421 Y CA 0.537 58.635 58.100 -0.004 0.000 1.254 421 Y CB -0.139 38.382 38.460 0.102 0.000 1.000 421 Y HN 0.253 nan 8.280 nan 0.000 0.554 422 C N -1.770 117.586 119.300 0.093 0.000 2.426 422 C HA -0.038 4.423 4.460 0.001 0.000 0.318 422 C C 2.920 177.905 174.990 -0.008 0.000 1.451 422 C CA 0.834 59.868 59.018 0.028 0.000 2.090 422 C CB -0.704 27.041 27.740 0.010 0.000 2.151 422 C HN 0.569 nan 8.230 nan 0.000 0.608 423 S N 0.528 116.220 115.700 -0.015 0.000 2.345 423 S HA -0.102 4.368 4.470 0.001 0.000 0.220 423 S C 0.865 175.445 174.600 -0.034 0.000 1.031 423 S CA 1.766 59.954 58.200 -0.019 0.000 0.996 423 S CB -0.173 63.021 63.200 -0.010 0.000 0.882 423 S HN 0.482 nan 8.310 nan 0.000 0.445 424 K N 0.664 121.025 120.400 -0.065 0.000 3.311 424 K HA -0.118 4.202 4.320 0.001 0.000 0.273 424 K C -0.908 175.670 176.600 -0.036 0.000 1.362 424 K CA 0.961 57.175 56.287 -0.122 0.000 0.823 424 K CB -2.531 29.915 32.500 -0.090 0.000 1.719 424 K HN 0.721 nan 8.250 nan 0.000 0.514 425 D N 1.255 121.666 120.400 0.020 0.000 2.359 425 D HA 0.212 4.853 4.640 0.001 0.000 0.230 425 D C 0.609 177.008 176.300 0.165 0.000 1.118 425 D CA -0.306 53.739 54.000 0.075 0.000 0.844 425 D CB 0.715 41.549 40.800 0.056 0.000 1.059 425 D HN 0.027 nan 8.370 nan 0.000 0.493 426 K N 1.884 122.408 120.400 0.208 0.000 2.522 426 K HA 0.097 4.417 4.320 0.001 0.000 0.194 426 K C 0.970 177.735 176.600 0.276 0.000 1.026 426 K CA 0.004 56.478 56.287 0.312 0.000 1.119 426 K CB 0.415 33.090 32.500 0.291 0.000 0.856 426 K HN 0.242 nan 8.250 nan 0.000 0.513 427 S N -0.021 115.804 115.700 0.208 0.000 2.370 427 S HA -0.039 4.431 4.470 0.001 0.000 0.214 427 S C 1.921 176.651 174.600 0.217 0.000 1.033 427 S CA 0.285 58.616 58.200 0.218 0.000 0.941 427 S CB 0.044 63.331 63.200 0.144 0.000 0.886 427 S HN 0.003 nan 8.310 nan 0.000 0.521 428 V N 2.840 122.836 119.914 0.136 0.000 2.453 428 V HA -0.236 3.884 4.120 0.001 0.000 0.252 428 V C 2.571 178.709 176.094 0.073 0.000 1.068 428 V CA 1.788 64.139 62.300 0.086 0.000 1.070 428 V CB -1.297 30.553 31.823 0.044 0.000 0.664 428 V HN 0.508 nan 8.190 nan 0.000 0.461 429 A N 0.055 122.945 122.820 0.118 0.000 1.835 429 A HA -0.252 4.069 4.320 0.001 0.000 0.215 429 A C 2.113 179.850 177.584 0.255 0.000 1.199 429 A CA 2.080 54.180 52.037 0.106 0.000 0.615 429 A CB -0.837 18.270 19.000 0.178 0.000 0.838 429 A HN 0.528 nan 8.150 nan 0.000 0.444 430 F N 1.139 121.234 119.950 0.241 0.000 2.161 430 F HA -0.194 4.334 4.527 0.001 0.000 0.300 430 F C 2.060 177.951 175.800 0.151 0.000 1.089 430 F CA 2.191 60.343 58.000 0.253 0.000 1.282 430 F CB -0.237 38.886 39.000 0.205 0.000 1.010 430 F HN 0.186 nan 8.300 nan 0.000 0.485 431 K N 0.475 120.837 120.400 -0.063 0.000 2.001 431 K HA -0.119 4.201 4.320 0.001 0.000 0.208 431 K C 2.171 178.688 176.600 -0.138 0.000 1.048 431 K CA 2.032 58.213 56.287 -0.177 0.000 0.932 431 K CB -0.464 32.039 32.500 0.006 0.000 0.715 431 K HN 0.321 nan 8.250 nan 0.000 0.437 432 I N 0.391 120.927 120.570 -0.058 0.000 2.264 432 I HA -0.274 3.897 4.170 0.001 0.000 0.248 432 I C 2.088 178.142 176.117 -0.104 0.000 1.111 432 I CA 1.443 62.724 61.300 -0.032 0.000 1.382 432 I CB -0.259 37.658 38.000 -0.139 0.000 1.060 432 I HN 0.074 nan 8.210 nan 0.000 0.418 433 F N 0.932 120.739 119.950 -0.239 0.000 2.098 433 F HA -0.166 4.361 4.527 0.001 0.000 0.294 433 F C 2.715 178.216 175.800 -0.499 0.000 1.107 433 F CA 1.150 58.876 58.000 -0.456 0.000 1.234 433 F CB -0.192 38.245 39.000 -0.939 0.000 1.002 433 F HN -0.053 nan 8.300 nan 0.000 0.472 434 E N 0.254 120.207 120.200 -0.413 0.000 2.058 434 E HA -0.244 4.107 4.350 0.001 0.000 0.194 434 E C 2.153 178.635 176.600 -0.196 0.000 0.997 434 E CA 1.050 57.224 56.400 -0.377 0.000 0.801 434 E CB -0.886 28.413 29.700 -0.670 0.000 0.746 434 E HN 0.275 nan 8.360 nan 0.000 0.450 435 L N 0.442 121.573 121.223 -0.153 0.000 2.265 435 L HA -0.055 4.285 4.340 0.001 0.000 0.215 435 L C 1.905 178.695 176.870 -0.134 0.000 1.117 435 L CA 2.144 56.936 54.840 -0.079 0.000 0.782 435 L CB -0.647 41.428 42.059 0.026 0.000 0.914 435 L HN 0.096 nan 8.230 nan 0.000 0.441 436 G N -0.965 107.759 108.800 -0.126 0.000 2.447 436 G HA2 -0.161 3.799 3.960 0.001 0.000 0.211 436 G HA3 -0.161 3.799 3.960 0.001 0.000 0.211 436 G C 1.416 176.131 174.900 -0.309 0.000 1.184 436 G CA 0.474 45.362 45.100 -0.353 0.000 0.813 436 G HN 0.360 nan 8.290 nan 0.000 0.540 437 L N 1.070 122.328 121.223 0.059 0.000 2.189 437 L HA -0.012 4.329 4.340 0.001 0.000 0.214 437 L C 2.492 179.353 176.870 -0.014 0.000 1.097 437 L CA 2.234 57.197 54.840 0.205 0.000 0.764 437 L CB -0.463 41.749 42.059 0.256 0.000 0.900 437 L HN 0.282 nan 8.230 nan 0.000 0.436 438 K N -0.259 120.076 120.400 -0.110 0.000 1.984 438 K HA -0.226 4.095 4.320 0.001 0.000 0.209 438 K C 2.319 178.788 176.600 -0.217 0.000 1.046 438 K CA 1.887 58.092 56.287 -0.136 0.000 0.934 438 K CB -0.243 32.173 32.500 -0.140 0.000 0.717 438 K HN 0.320 nan 8.250 nan 0.000 0.438 439 K N -1.094 119.084 120.400 -0.368 0.000 2.243 439 K HA -0.066 4.255 4.320 0.001 0.000 0.201 439 K C 0.538 176.737 176.600 -0.669 0.000 1.051 439 K CA 0.951 56.906 56.287 -0.553 0.000 0.970 439 K CB 0.238 32.277 32.500 -0.768 0.000 0.755 439 K HN 0.249 nan 8.250 nan 0.000 0.465 440 Y N -0.797 119.242 120.300 -0.435 0.000 2.696 440 Y HA 0.253 4.803 4.550 0.001 0.000 0.260 440 Y C 1.426 177.181 175.900 -0.241 0.000 1.165 440 Y CA -0.439 57.408 58.100 -0.421 0.000 1.189 440 Y CB 1.110 39.121 38.460 -0.749 0.000 1.180 440 Y HN 0.097 nan 8.280 nan 0.000 0.538 441 G N 0.345 109.132 108.800 -0.021 0.000 2.843 441 G HA2 -0.183 3.777 3.960 0.001 0.000 0.205 441 G HA3 -0.183 3.777 3.960 0.001 0.000 0.205 441 G C 0.568 175.500 174.900 0.054 0.000 1.160 441 G CA 0.889 46.033 45.100 0.075 0.000 0.819 441 G HN 0.458 nan 8.290 nan 0.000 0.516 442 D N -0.427 119.997 120.400 0.039 0.000 2.535 442 D HA 0.078 4.719 4.640 0.001 0.000 0.229 442 D C 0.260 176.583 176.300 0.039 0.000 1.238 442 D CA -0.485 53.533 54.000 0.030 0.000 0.824 442 D CB 0.150 40.959 40.800 0.015 0.000 1.045 442 D HN 0.093 nan 8.370 nan 0.000 0.500 443 I N 1.660 122.255 120.570 0.041 0.000 2.371 443 I HA 0.251 4.422 4.170 0.001 0.000 0.282 443 I C -1.764 174.334 176.117 -0.031 0.000 1.031 443 I CA -2.478 58.814 61.300 -0.013 0.000 1.180 443 I CB 1.315 39.236 38.000 -0.132 0.000 1.336 443 I HN -0.347 nan 8.210 nan 0.000 0.467 444 P HA -0.226 nan 4.420 nan 0.000 0.217 444 P C 1.348 178.621 177.300 -0.045 0.000 1.158 444 P CA 1.730 64.829 63.100 -0.002 0.000 0.887 444 P CB 0.287 32.008 31.700 0.034 0.000 0.792 445 E N -1.182 118.974 120.200 -0.072 0.000 2.118 445 E HA -0.245 4.105 4.350 0.001 0.000 0.195 445 E C 2.149 178.636 176.600 -0.189 0.000 0.992 445 E CA 1.488 57.834 56.400 -0.090 0.000 0.804 445 E CB -1.657 28.024 29.700 -0.031 0.000 0.741 445 E HN 0.399 nan 8.360 nan 0.000 0.458 446 Y N 2.254 122.258 120.300 -0.493 0.000 2.163 446 Y HA -0.175 4.375 4.550 0.001 0.000 0.288 446 Y C 2.456 178.309 175.900 -0.079 0.000 1.136 446 Y CA 1.253 59.112 58.100 -0.402 0.000 1.147 446 Y CB -0.328 37.817 38.460 -0.524 0.000 0.987 446 Y HN -0.161 nan 8.280 nan 0.000 0.509 447 V N 0.608 120.437 119.914 -0.141 0.000 2.332 447 V HA -0.351 3.769 4.120 0.001 0.000 0.248 447 V C 2.534 178.493 176.094 -0.225 0.000 1.055 447 V CA 2.114 64.332 62.300 -0.136 0.000 1.038 447 V CB -0.832 30.955 31.823 -0.059 0.000 0.651 447 V HN 0.463 nan 8.190 nan 0.000 0.450 448 L N -0.249 120.870 121.223 -0.173 0.000 2.046 448 L HA -0.186 4.155 4.340 0.001 0.000 0.208 448 L C 2.746 179.513 176.870 -0.171 0.000 1.077 448 L CA 1.606 56.354 54.840 -0.153 0.000 0.747 448 L CB -0.792 41.226 42.059 -0.068 0.000 0.896 448 L HN 0.389 nan 8.230 nan 0.000 0.432 449 A N -0.689 122.036 122.820 -0.158 0.000 1.883 449 A HA -0.302 4.019 4.320 0.001 0.000 0.217 449 A C 2.225 179.741 177.584 -0.113 0.000 1.186 449 A CA 1.803 53.789 52.037 -0.086 0.000 0.624 449 A CB -0.937 18.032 19.000 -0.053 0.000 0.822 449 A HN 0.463 nan 8.150 nan 0.000 0.444 450 Y N 0.387 120.414 120.300 -0.455 0.000 2.089 450 Y HA -0.164 4.387 4.550 0.001 0.000 0.282 450 Y C 2.123 177.650 175.900 -0.622 0.000 1.139 450 Y CA 1.191 58.873 58.100 -0.696 0.000 1.123 450 Y CB -0.903 37.216 38.460 -0.568 0.000 0.980 450 Y HN 0.283 nan 8.280 nan 0.000 0.493 451 I N 0.367 120.592 120.570 -0.574 0.000 2.091 451 I HA -0.382 3.789 4.170 0.001 0.000 0.239 451 I C 2.540 178.310 176.117 -0.578 0.000 1.061 451 I CA 2.096 62.946 61.300 -0.750 0.000 1.317 451 I CB -0.661 36.872 38.000 -0.779 0.000 1.031 451 I HN 0.247 nan 8.210 nan 0.000 0.401 452 D N -0.143 120.021 120.400 -0.394 0.000 2.220 452 D HA -0.300 4.341 4.640 0.001 0.000 0.198 452 D C 1.989 178.036 176.300 -0.422 0.000 1.001 452 D CA 1.759 55.541 54.000 -0.364 0.000 0.875 452 D CB -0.010 40.679 40.800 -0.185 0.000 0.921 452 D HN 0.461 nan 8.370 nan 0.000 0.454 453 Y N 0.753 120.780 120.300 -0.455 0.000 2.153 453 Y HA -0.092 4.458 4.550 0.001 0.000 0.289 453 Y C 2.137 177.767 175.900 -0.450 0.000 1.119 453 Y CA 0.851 58.687 58.100 -0.440 0.000 1.116 453 Y CB -0.889 37.246 38.460 -0.541 0.000 1.004 453 Y HN -0.067 nan 8.280 nan 0.000 0.501 454 L N 0.301 121.001 121.223 -0.872 0.000 2.127 454 L HA -0.191 4.150 4.340 0.001 0.000 0.211 454 L C 2.223 178.714 176.870 -0.631 0.000 1.089 454 L CA 2.173 56.498 54.840 -0.858 0.000 0.757 454 L CB -0.877 40.757 42.059 -0.709 0.000 0.899 454 L HN 0.291 nan 8.230 nan 0.000 0.434 455 S N -2.332 113.021 115.700 -0.578 0.000 2.515 455 S HA -0.085 4.386 4.470 0.001 0.000 0.231 455 S C 1.410 175.884 174.600 -0.209 0.000 0.987 455 S CA 0.625 58.582 58.200 -0.405 0.000 0.936 455 S CB -0.559 62.398 63.200 -0.405 0.000 0.766 455 S HN 0.643 nan 8.310 nan 0.000 0.528 456 H N -0.181 118.756 119.070 -0.221 0.000 2.586 456 H HA 0.343 4.900 4.556 0.001 0.000 0.273 456 H C 1.407 176.673 175.328 -0.103 0.000 0.997 456 H CA -0.130 55.859 56.048 -0.097 0.000 1.177 456 H CB 0.190 29.933 29.762 -0.032 0.000 1.471 456 H HN 0.225 nan 8.280 nan 0.000 0.538 457 L N 0.004 121.151 121.223 -0.126 0.000 2.291 457 L HA -0.085 4.256 4.340 0.001 0.000 0.214 457 L C 1.097 177.954 176.870 -0.021 0.000 1.120 457 L CA 0.827 55.602 54.840 -0.109 0.000 0.799 457 L CB -0.068 41.827 42.059 -0.274 0.000 0.925 457 L HN 0.536 nan 8.230 nan 0.000 0.446 458 N N -0.483 118.212 118.700 -0.008 0.000 2.979 458 N HA -0.192 4.549 4.740 0.001 0.000 0.234 458 N C 0.265 175.802 175.510 0.044 0.000 0.938 458 N CA 0.176 53.257 53.050 0.051 0.000 0.961 458 N CB -0.352 38.174 38.487 0.066 0.000 1.089 458 N HN 0.170 nan 8.380 nan 0.000 0.576 459 E N 1.594 121.787 120.200 -0.012 0.000 1.941 459 E HA 0.060 4.410 4.350 0.001 0.000 0.275 459 E C 0.270 176.890 176.600 0.033 0.000 1.113 459 E CA -0.187 56.212 56.400 -0.001 0.000 0.878 459 E CB 0.666 30.337 29.700 -0.049 0.000 1.070 459 E HN 0.186 nan 8.360 nan 0.000 0.399 460 D N 3.445 123.931 120.400 0.142 0.000 2.127 460 D HA -0.261 4.379 4.640 0.001 0.000 0.190 460 D C 1.431 177.894 176.300 0.273 0.000 1.000 460 D CA 1.448 55.643 54.000 0.325 0.000 0.839 460 D CB -0.189 40.770 40.800 0.265 0.000 0.955 460 D HN 0.588 nan 8.370 nan 0.000 0.446 461 N N 0.050 118.835 118.700 0.143 0.000 2.018 461 N HA -0.185 4.555 4.740 0.001 0.000 0.196 461 N C 1.676 177.197 175.510 0.018 0.000 1.043 461 N CA 0.994 54.102 53.050 0.098 0.000 0.856 461 N CB 0.037 38.554 38.487 0.050 0.000 1.042 461 N HN 0.074 nan 8.380 nan 0.000 0.423 462 N N 0.008 118.678 118.700 -0.051 0.000 2.094 462 N HA -0.136 4.605 4.740 0.001 0.000 0.191 462 N C 1.565 176.938 175.510 -0.228 0.000 1.023 462 N CA 1.573 54.543 53.050 -0.133 0.000 0.857 462 N CB -0.585 37.805 38.487 -0.162 0.000 1.013 462 N HN 0.348 nan 8.380 nan 0.000 0.426 463 T N 0.916 115.295 114.554 -0.290 0.000 2.708 463 T HA -0.142 4.209 4.350 0.001 0.000 0.266 463 T C 1.966 176.398 174.700 -0.447 0.000 1.037 463 T CA 1.005 62.781 62.100 -0.539 0.000 1.146 463 T CB -0.093 68.333 68.868 -0.736 0.000 0.865 463 T HN 0.332 nan 8.240 nan 0.000 0.435 464 R N 0.742 121.149 120.500 -0.154 0.000 2.127 464 R HA -0.101 4.240 4.340 0.001 0.000 0.238 464 R C 2.184 178.482 176.300 -0.002 0.000 1.134 464 R CA 1.192 57.380 56.100 0.147 0.000 0.975 464 R CB -0.464 30.069 30.300 0.388 0.000 0.865 464 R HN 0.265 nan 8.270 nan 0.000 0.447 465 V N 1.060 120.928 119.914 -0.076 0.000 2.307 465 V HA -0.226 3.894 4.120 0.001 0.000 0.245 465 V C 2.245 178.234 176.094 -0.175 0.000 1.045 465 V CA 1.536 63.782 62.300 -0.089 0.000 1.024 465 V CB -0.622 31.153 31.823 -0.079 0.000 0.651 465 V HN 0.330 nan 8.190 nan 0.000 0.449 466 L N -0.523 120.513 121.223 -0.311 0.000 2.083 466 L HA -0.100 4.240 4.340 0.001 0.000 0.209 466 L C 2.157 178.735 176.870 -0.486 0.000 1.083 466 L CA 1.797 56.375 54.840 -0.438 0.000 0.752 466 L CB -0.734 40.904 42.059 -0.702 0.000 0.899 466 L HN 0.229 nan 8.230 nan 0.000 0.433 467 F N -0.088 119.525 119.950 -0.563 0.000 2.069 467 F HA -0.269 4.258 4.527 0.001 0.000 0.298 467 F C 2.593 178.018 175.800 -0.625 0.000 1.113 467 F CA 1.544 59.079 58.000 -0.775 0.000 1.214 467 F CB -0.139 38.060 39.000 -1.336 0.000 0.978 467 F HN 0.112 nan 8.300 nan 0.000 0.474 468 E N 0.218 120.285 120.200 -0.221 0.000 2.153 468 E HA -0.165 4.186 4.350 0.001 0.000 0.194 468 E C 2.099 178.637 176.600 -0.103 0.000 0.988 468 E CA 1.131 57.465 56.400 -0.110 0.000 0.811 468 E CB -0.042 29.660 29.700 0.003 0.000 0.746 468 E HN 0.229 nan 8.360 nan 0.000 0.466 469 R N -0.565 119.863 120.500 -0.120 0.000 2.092 469 R HA -0.093 4.248 4.340 0.001 0.000 0.226 469 R C 2.360 178.596 176.300 -0.106 0.000 1.140 469 R CA 1.623 57.670 56.100 -0.088 0.000 0.910 469 R CB -0.926 29.325 30.300 -0.083 0.000 0.822 469 R HN 0.068 nan 8.270 nan 0.000 0.433 470 V N 1.947 121.767 119.914 -0.155 0.000 2.428 470 V HA -0.258 3.862 4.120 0.001 0.000 0.255 470 V C 2.140 178.143 176.094 -0.152 0.000 1.080 470 V CA 1.775 63.985 62.300 -0.149 0.000 1.083 470 V CB -0.535 31.159 31.823 -0.214 0.000 0.665 470 V HN 0.336 nan 8.190 nan 0.000 0.461 471 L N -1.075 120.024 121.223 -0.208 0.000 2.529 471 L HA 0.058 4.399 4.340 0.001 0.000 0.223 471 L C 1.920 178.740 176.870 -0.083 0.000 1.113 471 L CA 0.905 55.603 54.840 -0.237 0.000 0.861 471 L CB -0.258 41.480 42.059 -0.536 0.000 1.012 471 L HN 0.336 nan 8.230 nan 0.000 0.461 472 T N -2.695 111.828 114.554 -0.053 0.000 2.955 472 T HA 0.034 4.384 4.350 0.001 0.000 0.251 472 T C 1.711 176.409 174.700 -0.003 0.000 1.002 472 T CA 0.070 62.170 62.100 0.001 0.000 0.970 472 T CB 0.502 69.380 68.868 0.017 0.000 1.091 472 T HN 0.026 nan 8.240 nan 0.000 0.495 473 S N 1.222 116.910 115.700 -0.020 0.000 2.595 473 S HA 0.181 4.652 4.470 0.001 0.000 0.235 473 S C 2.147 176.741 174.600 -0.009 0.000 0.974 473 S CA 0.547 58.739 58.200 -0.013 0.000 0.942 473 S CB -0.771 62.419 63.200 -0.017 0.000 0.766 473 S HN 0.750 nan 8.310 nan 0.000 0.536 474 G N 1.786 110.581 108.800 -0.008 0.000 2.271 474 G HA2 -0.407 3.554 3.960 0.001 0.000 0.277 474 G HA3 -0.407 3.554 3.960 0.001 0.000 0.277 474 G C 1.062 175.957 174.900 -0.008 0.000 1.004 474 G CA 1.115 46.212 45.100 -0.004 0.000 0.679 474 G HN 0.810 nan 8.290 nan 0.000 0.540 475 S N -1.618 114.076 115.700 -0.010 0.000 2.561 475 S HA 0.381 4.851 4.470 0.001 0.000 0.225 475 S C 0.714 175.312 174.600 -0.004 0.000 0.977 475 S CA 0.862 59.056 58.200 -0.010 0.000 0.926 475 S CB 0.436 63.629 63.200 -0.012 0.000 0.769 475 S HN 0.861 nan 8.310 nan 0.000 0.533 476 L N 2.603 123.824 121.223 -0.003 0.000 2.298 476 L HA 0.596 4.937 4.340 0.001 0.000 0.284 476 L C -3.048 173.826 176.870 0.006 0.000 1.013 476 L CA -2.487 52.356 54.840 0.005 0.000 0.824 476 L CB 1.055 43.115 42.059 0.001 0.000 1.221 476 L HN -0.194 nan 8.230 nan 0.000 0.418 477 P HA 0.152 nan 4.420 nan 0.000 0.265 477 P C -1.968 175.334 177.300 0.003 0.000 1.222 477 P CA -0.888 62.212 63.100 -0.001 0.000 0.767 477 P CB 0.228 31.930 31.700 0.002 0.000 0.801 478 P HA -0.264 nan 4.420 nan 0.000 0.218 478 P C 0.949 178.175 177.300 -0.125 0.000 1.152 478 P CA 1.669 64.728 63.100 -0.068 0.000 0.857 478 P CB 0.195 31.795 31.700 -0.166 0.000 0.787 479 E N 0.278 120.408 120.200 -0.117 0.000 2.219 479 E HA -0.157 4.193 4.350 0.001 0.000 0.198 479 E C 1.215 177.915 176.600 0.167 0.000 0.998 479 E CA 1.266 57.652 56.400 -0.023 0.000 0.818 479 E CB -0.683 29.007 29.700 -0.017 0.000 0.741 479 E HN 0.460 nan 8.360 nan 0.000 0.477 480 K N -0.137 120.346 120.400 0.139 0.000 2.699 480 K HA 0.213 4.533 4.320 0.001 0.000 0.210 480 K C 0.464 177.180 176.600 0.193 0.000 1.076 480 K CA 0.269 56.651 56.287 0.158 0.000 1.109 480 K CB 0.808 33.363 32.500 0.092 0.000 0.862 480 K HN 0.055 nan 8.250 nan 0.000 0.470 481 S N -1.785 114.115 115.700 0.334 0.000 2.603 481 S HA 0.077 4.547 4.470 0.001 0.000 0.232 481 S C 1.879 176.762 174.600 0.472 0.000 1.016 481 S CA 0.021 58.420 58.200 0.332 0.000 0.976 481 S CB 0.482 63.848 63.200 0.276 0.000 0.921 481 S HN 0.327 nan 8.310 nan 0.000 0.516 482 G N 2.606 111.707 108.800 0.502 0.000 2.574 482 G HA2 -0.301 3.659 3.960 0.001 0.000 0.220 482 G HA3 -0.301 3.659 3.960 0.001 0.000 0.220 482 G C 1.254 176.288 174.900 0.223 0.000 1.173 482 G CA 1.331 46.550 45.100 0.199 0.000 0.772 482 G HN 0.611 nan 8.290 nan 0.000 0.585 483 E N -0.210 120.093 120.200 0.171 0.000 2.118 483 E HA -0.140 4.210 4.350 0.001 0.000 0.195 483 E C 2.587 179.293 176.600 0.176 0.000 0.992 483 E CA 0.826 57.313 56.400 0.144 0.000 0.804 483 E CB -0.088 29.674 29.700 0.103 0.000 0.741 483 E HN 0.417 nan 8.360 nan 0.000 0.458 484 I N -0.250 120.425 120.570 0.174 0.000 2.110 484 I HA -0.243 3.928 4.170 0.001 0.000 0.236 484 I C 2.082 178.347 176.117 0.246 0.000 1.068 484 I CA 1.338 62.731 61.300 0.155 0.000 1.333 484 I CB -1.655 36.345 38.000 -0.000 0.000 1.054 484 I HN 0.300 nan 8.210 nan 0.000 0.402 485 W N 1.273 122.713 121.300 0.234 0.000 2.313 485 W HA -0.238 4.423 4.660 0.001 0.000 0.293 485 W C 2.763 179.374 176.519 0.154 0.000 1.216 485 W CA 1.524 59.010 57.345 0.234 0.000 1.223 485 W CB -0.326 29.276 29.460 0.236 0.000 1.138 485 W HN 0.183 nan 8.180 nan 0.000 0.535 486 A N 0.319 123.352 122.820 0.355 0.000 1.832 486 A HA -0.167 4.153 4.320 0.001 0.000 0.214 486 A C 2.071 179.781 177.584 0.211 0.000 1.200 486 A CA 1.323 53.491 52.037 0.219 0.000 0.610 486 A CB -0.757 18.341 19.000 0.163 0.000 0.842 486 A HN 0.063 nan 8.150 nan 0.000 0.444 487 R N -1.035 119.609 120.500 0.240 0.000 2.139 487 R HA -0.135 4.205 4.340 0.001 0.000 0.243 487 R C 1.956 178.426 176.300 0.284 0.000 1.145 487 R CA 1.296 57.571 56.100 0.291 0.000 0.976 487 R CB -1.193 29.314 30.300 0.345 0.000 0.866 487 R HN 0.753 nan 8.270 nan 0.000 0.449 488 F N 1.035 120.861 119.950 -0.206 0.000 2.051 488 F HA -0.202 4.326 4.527 0.001 0.000 0.296 488 F C 2.213 177.873 175.800 -0.234 0.000 1.122 488 F CA 0.870 58.380 58.000 -0.816 0.000 1.201 488 F CB -0.046 38.530 39.000 -0.706 0.000 0.978 488 F HN -0.056 nan 8.300 nan 0.000 0.472 489 L N 0.223 121.462 121.223 0.026 0.000 2.079 489 L HA -0.265 4.075 4.340 0.001 0.000 0.210 489 L C 2.797 179.661 176.870 -0.011 0.000 1.081 489 L CA 1.089 55.885 54.840 -0.074 0.000 0.752 489 L CB -0.994 41.045 42.059 -0.034 0.000 0.896 489 L HN 0.210 nan 8.230 nan 0.000 0.433 490 A N -0.340 122.534 122.820 0.089 0.000 1.972 490 A HA -0.258 4.062 4.320 0.001 0.000 0.219 490 A C 2.125 179.808 177.584 0.165 0.000 1.169 490 A CA 1.549 53.660 52.037 0.123 0.000 0.635 490 A CB -0.665 18.437 19.000 0.170 0.000 0.810 490 A HN 0.437 nan 8.150 nan 0.000 0.446 491 F N 0.698 120.691 119.950 0.072 0.000 2.149 491 F HA 0.006 4.533 4.527 0.001 0.000 0.294 491 F C 1.852 177.678 175.800 0.043 0.000 1.095 491 F CA 1.697 59.765 58.000 0.113 0.000 1.276 491 F CB -0.150 38.994 39.000 0.240 0.000 1.023 491 F HN 0.145 nan 8.300 nan 0.000 0.480 492 E N -0.126 119.913 120.200 -0.269 0.000 2.472 492 E HA -0.117 4.233 4.350 0.001 0.000 0.200 492 E C 2.180 178.614 176.600 -0.277 0.000 1.046 492 E CA 0.797 56.953 56.400 -0.406 0.000 0.871 492 E CB -0.345 29.120 29.700 -0.391 0.000 0.806 492 E HN 0.403 nan 8.360 nan 0.000 0.533 493 S N -0.282 115.312 115.700 -0.177 0.000 2.475 493 S HA 0.015 4.485 4.470 0.001 0.000 0.224 493 S C 1.536 176.077 174.600 -0.098 0.000 1.042 493 S CA 0.309 58.441 58.200 -0.114 0.000 0.935 493 S CB 0.181 63.347 63.200 -0.056 0.000 0.801 493 S HN 0.118 nan 8.310 nan 0.000 0.509 494 N N 1.462 120.106 118.700 -0.092 0.000 2.081 494 N HA 0.143 4.883 4.740 0.001 0.000 0.191 494 N C 0.918 176.361 175.510 -0.111 0.000 1.053 494 N CA 1.650 54.666 53.050 -0.058 0.000 0.846 494 N CB -0.303 38.197 38.487 0.020 0.000 1.032 494 N HN 0.614 nan 8.380 nan 0.000 0.431 495 I N -2.974 117.473 120.570 -0.206 0.000 3.842 495 I HA 0.658 4.828 4.170 0.001 0.000 0.273 495 I C 1.072 177.026 176.117 -0.271 0.000 1.348 495 I CA -0.608 60.567 61.300 -0.209 0.000 0.948 495 I CB -0.024 37.842 38.000 -0.223 0.000 1.534 495 I HN 0.310 nan 8.210 nan 0.000 0.656 496 G N 0.896 109.558 108.800 -0.229 0.000 2.804 496 G HA2 0.144 4.105 3.960 0.001 0.000 0.230 496 G HA3 0.144 4.105 3.960 0.001 0.000 0.230 496 G C -1.160 173.653 174.900 -0.146 0.000 1.386 496 G CA 0.127 45.103 45.100 -0.206 0.000 0.875 496 G HN 1.528 nan 8.290 nan 0.000 0.557 497 D N -2.216 118.108 120.400 -0.126 0.000 2.626 497 D HA 0.529 5.170 4.640 0.001 0.000 0.278 497 D C 1.147 177.392 176.300 -0.091 0.000 1.211 497 D CA -0.248 53.695 54.000 -0.094 0.000 0.903 497 D CB 0.522 41.281 40.800 -0.068 0.000 1.408 497 D HN 1.094 nan 8.370 nan 0.000 0.454 498 L N 0.940 122.121 121.223 -0.069 0.000 2.082 498 L HA -0.228 4.112 4.340 0.001 0.000 0.223 498 L C 2.177 179.004 176.870 -0.071 0.000 1.086 498 L CA 3.226 58.029 54.840 -0.062 0.000 0.793 498 L CB -1.136 40.900 42.059 -0.038 0.000 0.896 498 L HN 0.700 nan 8.230 nan 0.000 0.441 499 A N -1.596 121.187 122.820 -0.062 0.000 1.930 499 A HA -0.176 4.145 4.320 0.001 0.000 0.217 499 A C 2.374 179.913 177.584 -0.075 0.000 1.175 499 A CA 1.939 53.940 52.037 -0.059 0.000 0.627 499 A CB -0.961 18.013 19.000 -0.043 0.000 0.815 499 A HN 0.679 nan 8.150 nan 0.000 0.443 500 S N 0.076 115.722 115.700 -0.091 0.000 2.402 500 S HA -0.074 4.397 4.470 0.001 0.000 0.229 500 S C 1.816 176.313 174.600 -0.173 0.000 1.021 500 S CA 1.328 59.456 58.200 -0.120 0.000 0.974 500 S CB -0.648 62.475 63.200 -0.129 0.000 0.800 500 S HN 0.499 nan 8.310 nan 0.000 0.484 501 I N 1.464 121.937 120.570 -0.162 0.000 2.233 501 I HA -0.094 4.076 4.170 0.001 0.000 0.243 501 I C 2.368 178.391 176.117 -0.156 0.000 1.093 501 I CA 0.997 62.189 61.300 -0.180 0.000 1.380 501 I CB -0.446 37.461 38.000 -0.156 0.000 1.067 501 I HN 0.246 nan 8.210 nan 0.000 0.413 502 L N 0.581 121.731 121.223 -0.121 0.000 2.079 502 L HA -0.249 4.092 4.340 0.001 0.000 0.210 502 L C 2.565 179.376 176.870 -0.098 0.000 1.081 502 L CA 1.483 56.260 54.840 -0.106 0.000 0.752 502 L CB -0.628 41.382 42.059 -0.082 0.000 0.896 502 L HN 0.192 nan 8.230 nan 0.000 0.433 503 K N -0.039 120.307 120.400 -0.091 0.000 1.978 503 K HA -0.166 4.155 4.320 0.001 0.000 0.214 503 K C 2.018 178.580 176.600 -0.064 0.000 1.049 503 K CA 1.648 57.897 56.287 -0.063 0.000 0.939 503 K CB -0.247 32.223 32.500 -0.050 0.000 0.721 503 K HN -0.004 nan 8.250 nan 0.000 0.441 504 V N 1.369 121.210 119.914 -0.122 0.000 2.392 504 V HA -0.273 3.848 4.120 0.001 0.000 0.249 504 V C 2.215 178.245 176.094 -0.106 0.000 1.059 504 V CA 1.955 64.201 62.300 -0.091 0.000 1.051 504 V CB -0.466 31.110 31.823 -0.411 0.000 0.658 504 V HN 0.427 nan 8.190 nan 0.000 0.455 505 E N 0.247 120.367 120.200 -0.133 0.000 2.021 505 E HA -0.281 4.069 4.350 0.001 0.000 0.200 505 E C 2.321 178.848 176.600 -0.122 0.000 1.015 505 E CA 1.711 58.033 56.400 -0.131 0.000 0.824 505 E CB -0.114 29.507 29.700 -0.133 0.000 0.762 505 E HN 0.549 nan 8.360 nan 0.000 0.454 506 K N -0.012 120.330 120.400 -0.097 0.000 2.211 506 K HA -0.152 4.169 4.320 0.001 0.000 0.204 506 K C 2.251 178.830 176.600 -0.034 0.000 1.047 506 K CA 1.004 57.261 56.287 -0.051 0.000 0.935 506 K CB -0.054 32.417 32.500 -0.049 0.000 0.728 506 K HN 0.101 nan 8.250 nan 0.000 0.452 507 R N 0.273 120.694 120.500 -0.131 0.000 2.062 507 R HA -0.008 4.333 4.340 0.001 0.000 0.229 507 R C 2.382 178.332 176.300 -0.582 0.000 1.128 507 R CA 0.526 56.498 56.100 -0.212 0.000 0.960 507 R CB -0.217 30.042 30.300 -0.069 0.000 0.855 507 R HN 0.096 nan 8.270 nan 0.000 0.432 508 R N 0.522 120.455 120.500 -0.945 0.000 2.117 508 R HA -0.173 4.167 4.340 0.001 0.000 0.243 508 R C 1.951 178.128 176.300 -0.205 0.000 1.143 508 R CA 1.474 56.912 56.100 -1.102 0.000 0.968 508 R CB -0.346 29.595 30.300 -0.598 0.000 0.863 508 R HN 0.174 nan 8.270 nan 0.000 0.444 509 F N 0.784 120.639 119.950 -0.159 0.000 2.163 509 F HA -0.097 4.431 4.527 0.001 0.000 0.297 509 F C 2.192 178.012 175.800 0.033 0.000 1.094 509 F CA 1.621 59.652 58.000 0.051 0.000 1.290 509 F CB -0.275 38.727 39.000 0.004 0.000 1.017 509 F HN -0.064 nan 8.300 nan 0.000 0.483 510 T N 0.331 114.936 114.554 0.085 0.000 2.788 510 T HA -0.162 4.189 4.350 0.001 0.000 0.268 510 T C 2.167 176.799 174.700 -0.113 0.000 1.044 510 T CA 1.291 63.390 62.100 -0.002 0.000 1.139 510 T CB -0.667 68.219 68.868 0.030 0.000 0.867 510 T HN 0.341 nan 8.240 nan 0.000 0.454 511 A N 0.502 123.239 122.820 -0.139 0.000 1.969 511 A HA 0.132 4.452 4.320 0.001 0.000 0.218 511 A C 1.177 178.446 177.584 -0.525 0.000 1.169 511 A CA 0.934 52.815 52.037 -0.259 0.000 0.635 511 A CB -0.439 18.452 19.000 -0.181 0.000 0.810 511 A HN 0.525 nan 8.150 nan 0.000 0.445 512 F N -1.198 118.551 119.950 -0.335 0.000 2.855 512 F HA 0.353 4.880 4.527 0.001 0.000 0.317 512 F C 1.428 176.888 175.800 -0.567 0.000 1.169 512 F CA -0.642 57.058 58.000 -0.501 0.000 1.299 512 F CB -0.010 38.429 39.000 -0.935 0.000 0.962 512 F HN 0.129 nan 8.300 nan 0.000 0.506 513 R N 0.929 121.184 120.500 -0.408 0.000 2.153 513 R HA -0.278 4.062 4.340 0.001 0.000 0.252 513 R C 2.108 178.190 176.300 -0.364 0.000 1.158 513 R CA 2.240 58.003 56.100 -0.562 0.000 0.975 513 R CB 0.037 30.167 30.300 -0.283 0.000 0.871 513 R HN 0.347 nan 8.270 nan 0.000 0.450 514 E N 0.976 121.039 120.200 -0.229 0.000 1.996 514 E HA -0.234 4.116 4.350 0.001 0.000 0.197 514 E C 1.412 177.955 176.600 -0.095 0.000 1.002 514 E CA 2.163 58.483 56.400 -0.133 0.000 0.840 514 E CB -0.234 29.399 29.700 -0.110 0.000 0.786 514 E HN 0.567 nan 8.360 nan 0.000 0.469 515 E N -1.226 118.911 120.200 -0.105 0.000 2.526 515 E HA -0.143 4.207 4.350 0.001 0.000 0.198 515 E C 0.935 177.606 176.600 0.118 0.000 1.091 515 E CA 0.536 56.916 56.400 -0.032 0.000 0.880 515 E CB -0.288 29.379 29.700 -0.055 0.000 0.873 515 E HN 0.556 nan 8.360 nan 0.000 0.527 516 Y N 0.444 120.692 120.300 -0.086 0.000 2.500 516 Y HA 0.223 4.774 4.550 0.001 0.000 0.246 516 Y C 0.188 176.135 175.900 0.079 0.000 1.146 516 Y CA -0.844 57.225 58.100 -0.052 0.000 1.230 516 Y CB 0.815 39.189 38.460 -0.144 0.000 1.214 516 Y HN 0.034 nan 8.280 nan 0.000 0.526 517 E N 0.647 120.943 120.200 0.159 0.000 2.299 517 E HA 0.175 4.525 4.350 0.001 0.000 0.272 517 E C 0.816 177.543 176.600 0.213 0.000 1.043 517 E CA 0.822 57.378 56.400 0.260 0.000 0.895 517 E CB 0.852 30.639 29.700 0.145 0.000 1.011 517 E HN 0.586 nan 8.360 nan 0.000 0.432 518 G N 3.929 112.861 108.800 0.221 0.000 2.258 518 G HA2 -0.263 3.698 3.960 0.001 0.000 0.233 518 G HA3 -0.263 3.698 3.960 0.001 0.000 0.233 518 G C 0.868 175.834 174.900 0.109 0.000 1.006 518 G CA -0.206 44.972 45.100 0.129 0.000 0.620 518 G HN 0.436 nan 8.290 nan 0.000 0.511 519 K N 1.010 121.493 120.400 0.138 0.000 2.469 519 K HA 0.277 4.598 4.320 0.001 0.000 0.201 519 K C 1.689 178.311 176.600 0.037 0.000 1.028 519 K CA 0.626 56.960 56.287 0.078 0.000 1.170 519 K CB 0.312 32.852 32.500 0.067 0.000 0.874 519 K HN 0.599 nan 8.250 nan 0.000 0.507 520 E N 0.236 120.471 120.200 0.058 0.000 2.070 520 E HA -0.178 4.173 4.350 0.001 0.000 0.197 520 E C 1.625 178.201 176.600 -0.041 0.000 1.004 520 E CA 2.155 58.540 56.400 -0.024 0.000 0.805 520 E CB -0.310 29.335 29.700 -0.091 0.000 0.744 520 E HN 0.185 nan 8.360 nan 0.000 0.451 521 T N 0.548 115.096 114.554 -0.010 0.000 2.737 521 T HA -0.132 4.219 4.350 0.001 0.000 0.265 521 T C 2.032 176.749 174.700 0.027 0.000 1.038 521 T CA 1.274 63.378 62.100 0.005 0.000 1.144 521 T CB -0.457 68.421 68.868 0.016 0.000 0.866 521 T HN 0.308 nan 8.240 nan 0.000 0.434 522 A N 0.853 123.703 122.820 0.050 0.000 2.024 522 A HA -0.017 4.304 4.320 0.001 0.000 0.220 522 A C 2.199 179.861 177.584 0.130 0.000 1.164 522 A CA 1.113 53.228 52.037 0.130 0.000 0.643 522 A CB -0.674 18.399 19.000 0.121 0.000 0.806 522 A HN 0.366 nan 8.150 nan 0.000 0.451 523 L N -1.185 120.034 121.223 -0.008 0.000 2.127 523 L HA 0.047 4.388 4.340 0.001 0.000 0.203 523 L C 2.172 179.005 176.870 -0.061 0.000 1.080 523 L CA 1.444 56.228 54.840 -0.094 0.000 0.768 523 L CB -0.535 41.391 42.059 -0.223 0.000 0.924 523 L HN 0.389 nan 8.230 nan 0.000 0.444 524 L N -1.179 120.010 121.223 -0.056 0.000 2.127 524 L HA -0.147 4.193 4.340 0.001 0.000 0.211 524 L C 2.263 179.097 176.870 -0.060 0.000 1.089 524 L CA 1.566 56.358 54.840 -0.080 0.000 0.757 524 L CB -0.629 41.420 42.059 -0.017 0.000 0.899 524 L HN 0.081 nan 8.230 nan 0.000 0.434 525 V N -0.176 119.753 119.914 0.025 0.000 2.380 525 V HA -0.309 3.811 4.120 0.001 0.000 0.251 525 V C 2.070 178.192 176.094 0.046 0.000 1.063 525 V CA 2.047 64.371 62.300 0.040 0.000 1.055 525 V CB -0.881 30.876 31.823 -0.110 0.000 0.657 525 V HN 0.489 nan 8.190 nan 0.000 0.455 526 D N -0.626 119.809 120.400 0.058 0.000 2.347 526 D HA -0.089 4.552 4.640 0.001 0.000 0.215 526 D C 2.240 178.493 176.300 -0.078 0.000 0.976 526 D CA 0.540 54.572 54.000 0.055 0.000 0.884 526 D CB -0.125 40.727 40.800 0.086 0.000 0.915 526 D HN 0.395 nan 8.370 nan 0.000 0.526 527 R N -0.510 119.830 120.500 -0.267 0.000 2.189 527 R HA -0.099 4.242 4.340 0.001 0.000 0.218 527 R C 1.010 177.010 176.300 -0.501 0.000 1.074 527 R CA 1.116 56.922 56.100 -0.490 0.000 0.991 527 R CB 0.102 29.902 30.300 -0.834 0.000 0.883 527 R HN 0.251 nan 8.270 nan 0.000 0.457 528 Y N -0.557 119.742 120.300 -0.002 0.000 2.452 528 Y HA 0.175 4.726 4.550 0.001 0.000 0.262 528 Y C 0.063 175.961 175.900 -0.003 0.000 1.089 528 Y CA -0.912 57.184 58.100 -0.006 0.000 1.262 528 Y CB 0.308 38.758 38.460 -0.017 0.000 1.236 528 Y HN -0.108 nan 8.280 nan 0.000 0.512 529 K N 1.284 121.746 120.400 0.102 0.000 2.382 529 K HA 0.229 4.550 4.320 0.001 0.000 0.275 529 K C -1.146 175.455 176.600 0.002 0.000 1.009 529 K CA 0.087 56.341 56.287 -0.055 0.000 0.970 529 K CB 0.523 32.867 32.500 -0.261 0.000 0.934 529 K HN 0.092 nan 8.250 nan 0.000 0.479 530 F N 5.088 124.919 119.950 -0.198 0.000 2.557 530 F HA 0.365 4.893 4.527 0.001 0.000 0.316 530 F C 0.103 175.805 175.800 -0.163 0.000 1.141 530 F CA -0.760 57.166 58.000 -0.124 0.000 0.922 530 F CB 1.046 40.010 39.000 -0.061 0.000 1.194 530 F HN 0.869 nan 8.300 nan 0.000 0.443 531 M N 2.338 121.397 119.600 -0.901 0.000 7.319 531 M HA -0.352 4.128 4.480 0.001 0.000 0.329 531 M C 0.714 176.786 176.300 -0.380 0.000 0.480 531 M CA 2.196 57.103 55.300 -0.656 0.000 1.311 531 M CB -0.885 31.241 32.600 -0.791 0.000 0.421 531 M HN 0.734 nan 8.290 nan 0.000 0.888 532 D N 2.143 122.414 120.400 -0.215 0.000 2.352 532 D HA 0.264 4.904 4.640 0.001 0.000 0.236 532 D C -0.210 176.069 176.300 -0.036 0.000 1.148 532 D CA 0.394 54.370 54.000 -0.040 0.000 0.844 532 D CB -0.429 40.403 40.800 0.053 0.000 0.933 532 D HN 0.363 nan 8.370 nan 0.000 0.507 533 L N 0.836 121.909 121.223 -0.250 0.000 2.296 533 L HA 0.429 4.770 4.340 0.001 0.000 0.286 533 L C -0.983 175.661 176.870 -0.377 0.000 1.023 533 L CA -1.011 53.753 54.840 -0.127 0.000 0.812 533 L CB 1.059 43.125 42.059 0.012 0.000 1.223 533 L HN -0.120 nan 8.230 nan 0.000 0.421 534 Y N 2.114 122.420 120.300 0.009 0.000 2.545 534 Y HA 0.404 4.955 4.550 0.001 0.000 0.348 534 Y C -1.767 174.114 175.900 -0.030 0.000 1.002 534 Y CA -2.065 56.017 58.100 -0.030 0.000 1.039 534 Y CB 1.065 39.456 38.460 -0.116 0.000 1.271 534 Y HN 0.408 nan 8.280 nan 0.000 0.467 535 P HA 0.241 nan 4.420 nan 0.000 0.249 535 P C -0.570 176.740 177.300 0.016 0.000 1.593 535 P CA 0.407 63.528 63.100 0.035 0.000 0.896 535 P CB -0.130 31.570 31.700 0.001 0.000 1.581 536 C N -0.634 118.684 119.300 0.031 0.000 3.285 536 C HA 0.428 4.889 4.460 0.001 0.000 0.325 536 C C 0.325 175.298 174.990 -0.028 0.000 1.304 536 C CA -0.336 58.670 59.018 -0.018 0.000 1.319 536 C CB 1.917 29.619 27.740 -0.064 0.000 1.640 536 C HN 0.359 nan 8.230 nan 0.000 0.477 537 S N 1.594 117.273 115.700 -0.034 0.000 2.603 537 S HA 0.513 4.983 4.470 0.001 0.000 0.268 537 S C 1.038 175.598 174.600 -0.067 0.000 1.317 537 S CA 0.315 58.494 58.200 -0.035 0.000 1.012 537 S CB 1.187 64.374 63.200 -0.021 0.000 0.926 537 S HN 1.340 nan 8.310 nan 0.000 0.539 538 A N 2.446 125.227 122.820 -0.065 0.000 1.873 538 A HA -0.108 4.212 4.320 0.001 0.000 0.218 538 A C 2.452 180.008 177.584 -0.046 0.000 1.193 538 A CA 2.348 54.339 52.037 -0.077 0.000 0.629 538 A CB -1.859 17.110 19.000 -0.051 0.000 0.826 538 A HN 1.337 nan 8.150 nan 0.000 0.447 539 S N -0.053 115.630 115.700 -0.028 0.000 2.399 539 S HA -0.193 4.277 4.470 0.001 0.000 0.231 539 S C 1.656 176.248 174.600 -0.013 0.000 1.022 539 S CA 1.431 59.622 58.200 -0.015 0.000 0.983 539 S CB -0.457 62.737 63.200 -0.009 0.000 0.803 539 S HN 0.703 nan 8.310 nan 0.000 0.480 540 E N 1.121 121.307 120.200 -0.022 0.000 2.152 540 E HA 0.054 4.405 4.350 0.001 0.000 0.192 540 E C 1.991 178.580 176.600 -0.019 0.000 0.983 540 E CA 0.786 57.174 56.400 -0.019 0.000 0.818 540 E CB -0.290 29.395 29.700 -0.026 0.000 0.758 540 E HN 0.491 nan 8.360 nan 0.000 0.467 541 L N 1.053 122.252 121.223 -0.040 0.000 2.056 541 L HA -0.177 4.163 4.340 0.001 0.000 0.207 541 L C 2.590 179.498 176.870 0.062 0.000 1.078 541 L CA 1.100 55.926 54.840 -0.023 0.000 0.749 541 L CB -0.337 41.654 42.059 -0.114 0.000 0.901 541 L HN 0.053 nan 8.230 nan 0.000 0.433 542 K N 0.886 121.306 120.400 0.034 0.000 1.987 542 K HA -0.236 4.085 4.320 0.001 0.000 0.216 542 K C 2.013 178.636 176.600 0.039 0.000 1.051 542 K CA 1.821 58.131 56.287 0.038 0.000 0.942 542 K CB -0.261 32.249 32.500 0.017 0.000 0.722 542 K HN 0.231 nan 8.250 nan 0.000 0.444 543 A N 0.871 123.706 122.820 0.026 0.000 2.178 543 A HA -0.059 4.262 4.320 0.001 0.000 0.218 543 A C 1.989 179.593 177.584 0.033 0.000 1.157 543 A CA 0.976 53.028 52.037 0.024 0.000 0.689 543 A CB -0.411 18.598 19.000 0.015 0.000 0.787 543 A HN 0.422 nan 8.150 nan 0.000 0.465 544 L N -1.943 119.308 121.223 0.046 0.000 2.307 544 L HA 0.150 4.491 4.340 0.001 0.000 0.211 544 L C 1.663 178.577 176.870 0.073 0.000 1.099 544 L CA 0.816 55.690 54.840 0.057 0.000 0.816 544 L CB -0.028 42.070 42.059 0.065 0.000 0.952 544 L HN 0.592 nan 8.230 nan 0.000 0.455 545 G N -1.011 107.837 108.800 0.080 0.000 2.140 545 G HA2 -0.327 3.634 3.960 0.001 0.000 0.211 545 G HA3 -0.327 3.634 3.960 0.001 0.000 0.211 545 G C -0.059 174.887 174.900 0.076 0.000 1.013 545 G CA -0.287 44.851 45.100 0.063 0.000 0.705 545 G HN 0.191 nan 8.290 nan 0.000 0.508 546 Y N 1.847 122.139 120.300 -0.013 0.000 2.480 546 Y HA 0.472 5.022 4.550 0.001 0.000 0.338 546 Y C 0.546 176.438 175.900 -0.014 0.000 1.220 546 Y CA -0.101 57.989 58.100 -0.018 0.000 1.430 546 Y CB 0.799 39.239 38.460 -0.033 0.000 1.311 546 Y HN 0.290 nan 8.280 nan 0.000 0.575 547 K N 4.852 124.714 120.400 -0.897 0.000 2.668 547 K HA 0.223 4.543 4.320 0.001 0.000 0.246 547 K C -1.777 174.349 176.600 -0.790 0.000 0.976 547 K CA -0.588 55.342 56.287 -0.595 0.000 0.902 547 K CB 1.204 33.535 32.500 -0.282 0.000 1.172 547 K HN 0.690 nan 8.250 nan 0.000 0.452 548 D N 3.597 123.662 120.400 -0.558 0.000 2.295 548 D HA 0.180 4.820 4.640 0.001 0.000 0.248 548 D C 0.422 176.687 176.300 -0.058 0.000 1.154 548 D CA -0.265 53.604 54.000 -0.218 0.000 0.857 548 D CB 1.611 42.499 40.800 0.147 0.000 1.117 548 D HN 0.425 nan 8.370 nan 0.000 0.468 549 V N 0.000 119.906 119.914 -0.014 0.000 2.409 549 V HA 0.000 4.121 4.120 0.001 0.000 0.244 549 V CA 0.000 62.312 62.300 0.019 0.000 1.235 549 V CB 0.000 31.840 31.823 0.029 0.000 1.184 549 V HN 0.000 nan 8.190 nan 0.000 0.556