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 2zj2_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVDELRVDE RIKSTLKERG IESFYPPQAE ALKSGILEGK NALISIPTAS DATA SEQUENCE GKTLIAEIAM VHRILTQGGK AVYIVPLKAL AEEKFQEFQD WEKIGLRVAM DATA SEQUENCE ATGDYDSKDE WLGKYDIIIA TAEKFDSLLR HGSSWIKDVK ILVADEIHLI DATA SEQUENCE GSRDRGATLE VILAHMLGKA QIIGLSATIG NPEELAEWLN AELIVSDWRP DATA SEQUENCE VKLRRGVFYQ GFVTWEDGSI DRFSSWEELV YDAIRKKKGA LIFVNMRRKA DATA SEQUENCE ERVALELSKK VKSLLTKPEI RALNELADSL EENPTNEKLA KAIRGGVAFH DATA SEQUENCE HAGLGRDERV LVEENFRKGI IKAVVATPTL SXXXXTPAFR VIIRDIWRYS DATA SEQUENCE DFGMERIPII EVHQMLGRAG RPKYDEVGEG IIVSTSDDPR EVMNHYIFGK DATA SEQUENCE PEKLFSQLSN ESNLRSQVLA LIATFGYSTV EEILKFISNT FYAYQRKDTY DATA SEQUENCE SLEEKIRNIL YFLLENEFIE ISLEDKIRPL SLGIRTAKLY IDPYTAKMFK DATA SEQUENCE DKMEEVVKDP NPIGIFHLIS LTPDITPFNY SKREFERLEE EYYEFKDRLY DATA SEQUENCE FDDPYIXXXX XXXERKFFRA FKTALVLLAW INEVPEGEIV EKYSVEPGDI DATA SEQUENCE YRIVETAEWL VYSLKEIAKV LGAYEIVDYL ETLRVRVKYG IREELIPLMQ DATA SEQUENCE LPLVGRRRAR ALYN 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.283 176.300 -0.029 0.000 1.140 1 M CA 0.000 55.332 55.300 0.053 0.000 0.988 1 M CB 0.000 32.705 32.600 0.174 0.000 1.302 2 R N 2.550 123.015 120.500 -0.059 0.000 2.349 2 R HA 0.628 4.981 4.340 0.021 0.000 0.299 2 R C 0.477 176.661 176.300 -0.192 0.000 1.027 2 R CA 0.065 56.074 56.100 -0.153 0.000 0.958 2 R CB 0.262 30.507 30.300 -0.093 0.000 1.047 2 R HN 0.788 nan 8.270 nan 0.000 0.468 3 V N 1.294 120.973 119.914 -0.391 0.000 2.511 3 V HA -0.283 3.849 4.120 0.021 0.000 0.257 3 V C 1.391 177.445 176.094 -0.066 0.000 1.088 3 V CA 2.246 64.346 62.300 -0.333 0.000 1.098 3 V CB -0.245 31.377 31.823 -0.336 0.000 0.674 3 V HN 0.886 nan 8.190 nan 0.000 0.470 4 D N -0.310 120.051 120.400 -0.064 0.000 2.347 4 D HA -0.058 4.594 4.640 0.021 0.000 0.213 4 D C 1.918 178.223 176.300 0.008 0.000 0.985 4 D CA 0.557 54.546 54.000 -0.017 0.000 0.879 4 D CB 0.068 40.851 40.800 -0.028 0.000 0.919 4 D HN 0.633 nan 8.370 nan 0.000 0.526 5 E N 0.222 120.432 120.200 0.016 0.000 2.478 5 E HA -0.002 4.360 4.350 0.021 0.000 0.194 5 E C 0.571 177.204 176.600 0.055 0.000 1.045 5 E CA -0.255 56.163 56.400 0.029 0.000 0.868 5 E CB 0.498 30.215 29.700 0.027 0.000 0.885 5 E HN 0.085 nan 8.360 nan 0.000 0.505 6 L N 1.916 123.195 121.223 0.093 0.000 2.361 6 L HA 0.123 4.475 4.340 0.021 0.000 0.278 6 L C 0.651 177.556 176.870 0.059 0.000 1.113 6 L CA 0.376 55.283 54.840 0.111 0.000 0.849 6 L CB 0.380 42.578 42.059 0.232 0.000 1.155 6 L HN -0.072 nan 8.230 nan 0.000 0.452 7 R N 5.609 126.122 120.500 0.022 0.000 3.688 7 R HA 0.507 4.860 4.340 0.021 0.000 0.194 7 R C -0.567 175.753 176.300 0.033 0.000 1.677 7 R CA 0.499 56.611 56.100 0.020 0.000 1.351 7 R CB -1.379 28.922 30.300 0.002 0.000 1.338 7 R HN 0.684 nan 8.270 nan 0.000 0.731 8 V N -2.597 117.360 119.914 0.071 0.000 3.114 8 V HA 0.511 4.643 4.120 0.021 0.000 0.308 8 V C -0.394 175.769 176.094 0.115 0.000 1.168 8 V CA -1.519 60.861 62.300 0.133 0.000 1.015 8 V CB 2.311 34.212 31.823 0.129 0.000 1.050 8 V HN 0.509 nan 8.190 nan 0.000 0.433 9 D N 1.695 122.166 120.400 0.118 0.000 2.548 9 D HA -0.060 4.593 4.640 0.021 0.000 0.231 9 D C 1.128 177.476 176.300 0.080 0.000 1.142 9 D CA 0.563 54.608 54.000 0.075 0.000 0.866 9 D CB 1.253 42.084 40.800 0.051 0.000 1.190 9 D HN 0.773 nan 8.370 nan 0.000 0.469 10 E N 3.573 123.808 120.200 0.059 0.000 2.171 10 E HA -0.209 4.153 4.350 0.021 0.000 0.197 10 E C 1.954 178.595 176.600 0.069 0.000 0.997 10 E CA 0.818 57.250 56.400 0.054 0.000 0.810 10 E CB 0.040 29.761 29.700 0.034 0.000 0.738 10 E HN 0.514 nan 8.360 nan 0.000 0.467 11 R N -0.097 120.450 120.500 0.079 0.000 2.105 11 R HA -0.109 4.243 4.340 0.021 0.000 0.239 11 R C 2.464 178.871 176.300 0.178 0.000 1.135 11 R CA 1.174 57.337 56.100 0.105 0.000 0.967 11 R CB -0.231 30.132 30.300 0.105 0.000 0.861 11 R HN 0.230 nan 8.270 nan 0.000 0.442 12 I N 0.537 121.234 120.570 0.211 0.000 2.333 12 I HA -0.216 3.966 4.170 0.021 0.000 0.246 12 I C 2.005 178.256 176.117 0.223 0.000 1.106 12 I CA 1.139 62.638 61.300 0.331 0.000 1.411 12 I CB -0.139 38.022 38.000 0.267 0.000 1.082 12 I HN 0.087 nan 8.210 nan 0.000 0.420 13 K N 0.301 120.784 120.400 0.139 0.000 2.097 13 K HA -0.166 4.166 4.320 0.021 0.000 0.206 13 K C 2.323 178.943 176.600 0.034 0.000 1.049 13 K CA 1.666 58.001 56.287 0.080 0.000 0.933 13 K CB -0.304 32.228 32.500 0.052 0.000 0.717 13 K HN 0.193 nan 8.250 nan 0.000 0.442 14 S N 0.577 116.298 115.700 0.035 0.000 2.355 14 S HA -0.134 4.348 4.470 0.021 0.000 0.222 14 S C 1.963 176.540 174.600 -0.038 0.000 1.031 14 S CA 1.813 60.012 58.200 -0.002 0.000 0.993 14 S CB -0.345 62.859 63.200 0.007 0.000 0.859 14 S HN 0.256 nan 8.310 nan 0.000 0.453 15 T N 2.853 117.378 114.554 -0.050 0.000 2.788 15 T HA 0.048 4.410 4.350 0.021 0.000 0.268 15 T C 1.731 176.316 174.700 -0.192 0.000 1.044 15 T CA 1.373 63.356 62.100 -0.195 0.000 1.139 15 T CB -0.354 68.250 68.868 -0.440 0.000 0.867 15 T HN 0.318 nan 8.240 nan 0.000 0.454 16 L N 0.409 121.583 121.223 -0.083 0.000 2.027 16 L HA -0.100 4.252 4.340 0.021 0.000 0.206 16 L C 2.601 179.423 176.870 -0.080 0.000 1.074 16 L CA 1.428 56.236 54.840 -0.053 0.000 0.745 16 L CB -0.470 41.606 42.059 0.030 0.000 0.898 16 L HN 0.239 nan 8.230 nan 0.000 0.433 17 K N 0.440 120.795 120.400 -0.075 0.000 2.044 17 K HA -0.227 4.106 4.320 0.021 0.000 0.210 17 K C 2.327 178.881 176.600 -0.076 0.000 1.049 17 K CA 1.976 58.217 56.287 -0.078 0.000 0.927 17 K CB -0.583 31.879 32.500 -0.063 0.000 0.713 17 K HN 0.400 nan 8.250 nan 0.000 0.443 18 E N 1.798 121.948 120.200 -0.083 0.000 2.219 18 E HA -0.212 4.150 4.350 0.021 0.000 0.198 18 E C 1.848 178.397 176.600 -0.085 0.000 0.998 18 E CA 1.590 57.939 56.400 -0.084 0.000 0.818 18 E CB -0.639 29.000 29.700 -0.102 0.000 0.741 18 E HN 0.378 nan 8.360 nan 0.000 0.477 19 R N -1.788 118.655 120.500 -0.095 0.000 2.299 19 R HA 0.228 4.581 4.340 0.021 0.000 0.197 19 R C 1.801 178.066 176.300 -0.057 0.000 0.971 19 R CA 0.545 56.597 56.100 -0.080 0.000 1.030 19 R CB 0.285 30.533 30.300 -0.086 0.000 0.932 19 R HN 0.565 nan 8.270 nan 0.000 0.477 20 G N 0.878 109.640 108.800 -0.063 0.000 2.195 20 G HA2 -0.257 3.715 3.960 0.021 0.000 0.246 20 G HA3 -0.257 3.715 3.960 0.021 0.000 0.246 20 G C 0.250 175.106 174.900 -0.073 0.000 0.984 20 G CA -0.307 44.759 45.100 -0.056 0.000 0.633 20 G HN 0.209 nan 8.290 nan 0.000 0.525 21 I N 1.327 121.842 120.570 -0.091 0.000 2.471 21 I HA 0.555 4.737 4.170 0.021 0.000 0.286 21 I C 1.331 177.332 176.117 -0.193 0.000 1.079 21 I CA 0.784 61.998 61.300 -0.143 0.000 1.398 21 I CB 1.128 39.048 38.000 -0.133 0.000 1.403 21 I HN 0.348 nan 8.210 nan 0.000 0.530 22 E N 4.242 124.305 120.200 -0.229 0.000 2.441 22 E HA 0.156 4.518 4.350 0.021 0.000 0.212 22 E C 0.603 176.997 176.600 -0.342 0.000 0.840 22 E CA 0.536 56.798 56.400 -0.231 0.000 1.143 22 E CB 0.739 30.351 29.700 -0.147 0.000 1.153 22 E HN 0.731 nan 8.360 nan 0.000 0.539 23 S N -1.345 114.118 115.700 -0.394 0.000 2.661 23 S HA 0.810 5.292 4.470 0.021 0.000 0.285 23 S C -0.807 173.467 174.600 -0.544 0.000 1.138 23 S CA -0.816 57.112 58.200 -0.453 0.000 0.855 23 S CB 1.136 64.210 63.200 -0.210 0.000 1.136 23 S HN 0.233 nan 8.310 nan 0.000 0.484 24 F N 0.503 120.359 119.950 -0.157 0.000 2.458 24 F HA 0.486 5.023 4.527 0.016 0.000 0.330 24 F C 0.020 175.698 175.800 -0.203 0.000 1.082 24 F CA -1.115 56.758 58.000 -0.210 0.000 0.995 24 F CB 1.031 39.953 39.000 -0.128 0.000 1.170 24 F HN 0.591 nan 8.300 nan 0.000 0.478 25 Y N 2.310 122.653 120.300 0.072 0.000 2.457 25 Y HA 0.029 4.592 4.550 0.023 0.000 0.341 25 Y C -1.398 174.247 175.900 -0.424 0.000 1.240 25 Y CA -1.529 56.415 58.100 -0.261 0.000 1.437 25 Y CB 0.073 38.456 38.460 -0.129 0.000 1.328 25 Y HN 0.430 nan 8.280 nan 0.000 0.588 26 P HA -0.189 nan 4.420 nan 0.000 0.217 26 P C -1.564 175.559 177.300 -0.295 0.000 1.151 26 P CA 1.836 64.624 63.100 -0.520 0.000 0.849 26 P CB -0.726 30.465 31.700 -0.848 0.000 0.787 27 P HA -0.119 nan 4.420 nan 0.000 0.217 27 P C 1.618 178.899 177.300 -0.032 0.000 1.151 27 P CA 1.427 64.496 63.100 -0.052 0.000 0.828 27 P CB -0.412 31.334 31.700 0.076 0.000 0.788 28 Q N -0.451 119.347 119.800 -0.003 0.000 2.050 28 Q HA -0.135 4.217 4.340 0.021 0.000 0.202 28 Q C 2.263 178.158 176.000 -0.176 0.000 0.980 28 Q CA 1.735 57.495 55.803 -0.072 0.000 0.840 28 Q CB -0.802 27.912 28.738 -0.040 0.000 0.898 28 Q HN 0.156 nan 8.270 nan 0.000 0.424 29 A N 1.189 123.939 122.820 -0.116 0.000 1.902 29 A HA -0.272 4.060 4.320 0.021 0.000 0.217 29 A C 1.943 179.464 177.584 -0.106 0.000 1.181 29 A CA 1.670 53.644 52.037 -0.105 0.000 0.623 29 A CB -0.582 18.401 19.000 -0.030 0.000 0.818 29 A HN 0.436 nan 8.150 nan 0.000 0.443 30 E N -0.212 119.934 120.200 -0.090 0.000 2.085 30 E HA -0.162 4.200 4.350 0.021 0.000 0.194 30 E C 2.169 178.722 176.600 -0.078 0.000 0.994 30 E CA 1.089 57.446 56.400 -0.071 0.000 0.801 30 E CB -0.243 29.424 29.700 -0.056 0.000 0.743 30 E HN 0.552 nan 8.360 nan 0.000 0.453 31 A N 0.934 123.701 122.820 -0.088 0.000 1.898 31 A HA -0.128 4.204 4.320 0.021 0.000 0.216 31 A C 2.172 179.680 177.584 -0.126 0.000 1.181 31 A CA 1.010 52.992 52.037 -0.092 0.000 0.620 31 A CB -0.621 18.328 19.000 -0.084 0.000 0.819 31 A HN 0.304 nan 8.150 nan 0.000 0.442 32 L N -1.060 120.055 121.223 -0.180 0.000 2.362 32 L HA -0.099 4.254 4.340 0.021 0.000 0.219 32 L C 1.419 178.197 176.870 -0.154 0.000 1.134 32 L CA 1.124 55.836 54.840 -0.213 0.000 0.807 32 L CB -0.139 41.720 42.059 -0.333 0.000 0.927 32 L HN 0.330 nan 8.230 nan 0.000 0.447 33 K N -1.217 119.115 120.400 -0.114 0.000 2.455 33 K HA 0.121 4.454 4.320 0.021 0.000 0.206 33 K C 1.507 178.066 176.600 -0.068 0.000 1.027 33 K CA 0.304 56.541 56.287 -0.083 0.000 1.113 33 K CB 0.573 33.035 32.500 -0.063 0.000 0.850 33 K HN 0.166 nan 8.250 nan 0.000 0.503 34 S N -0.693 114.963 115.700 -0.074 0.000 2.524 34 S HA 0.154 4.636 4.470 0.021 0.000 0.216 34 S C 1.384 175.951 174.600 -0.055 0.000 0.987 34 S CA 0.476 58.642 58.200 -0.058 0.000 0.909 34 S CB 0.424 63.590 63.200 -0.056 0.000 0.781 34 S HN 0.377 nan 8.310 nan 0.000 0.521 35 G N 1.764 110.525 108.800 -0.065 0.000 2.273 35 G HA2 -0.190 3.782 3.960 0.021 0.000 0.162 35 G HA3 -0.190 3.782 3.960 0.021 0.000 0.162 35 G C 0.650 175.512 174.900 -0.063 0.000 1.006 35 G CA -0.023 45.042 45.100 -0.057 0.000 0.704 35 G HN 0.743 nan 8.290 nan 0.000 0.487 36 I N -1.012 119.510 120.570 -0.080 0.000 2.394 36 I HA 0.170 4.353 4.170 0.021 0.000 0.251 36 I C 2.274 178.340 176.117 -0.085 0.000 1.136 36 I CA 0.961 62.214 61.300 -0.078 0.000 1.425 36 I CB -0.358 37.589 38.000 -0.089 0.000 1.079 36 I HN 0.155 nan 8.210 nan 0.000 0.425 37 L N 0.919 122.053 121.223 -0.148 0.000 2.376 37 L HA -0.019 4.333 4.340 0.021 0.000 0.219 37 L C 1.272 178.118 176.870 -0.039 0.000 1.133 37 L CA 0.968 55.650 54.840 -0.263 0.000 0.816 37 L CB -0.499 41.287 42.059 -0.455 0.000 0.933 37 L HN 0.311 nan 8.230 nan 0.000 0.449 38 E N -0.328 119.859 120.200 -0.021 0.000 2.496 38 E HA 0.222 4.584 4.350 0.021 0.000 0.202 38 E C 1.251 177.859 176.600 0.013 0.000 1.021 38 E CA 0.461 56.873 56.400 0.020 0.000 1.015 38 E CB 0.615 30.312 29.700 -0.005 0.000 1.102 38 E HN 0.334 nan 8.360 nan 0.000 0.452 39 G N 1.234 110.043 108.800 0.015 0.000 2.253 39 G HA2 -0.360 3.612 3.960 0.021 0.000 0.251 39 G HA3 -0.360 3.612 3.960 0.021 0.000 0.251 39 G C 0.349 175.234 174.900 -0.025 0.000 0.998 39 G CA 0.034 45.133 45.100 -0.002 0.000 0.621 39 G HN 0.263 nan 8.290 nan 0.000 0.524 40 K N 1.142 121.522 120.400 -0.033 0.000 2.414 40 K HA 0.223 4.555 4.320 0.021 0.000 0.272 40 K C 0.372 176.936 176.600 -0.059 0.000 0.993 40 K CA -0.262 55.998 56.287 -0.046 0.000 0.964 40 K CB 0.210 32.683 32.500 -0.045 0.000 0.925 40 K HN 0.254 nan 8.250 nan 0.000 0.487 41 N N 0.589 119.244 118.700 -0.074 0.000 2.444 41 N HA 0.333 5.085 4.740 0.021 0.000 0.255 41 N C -0.757 174.701 175.510 -0.086 0.000 1.255 41 N CA -0.036 52.958 53.050 -0.093 0.000 0.933 41 N CB 1.215 39.624 38.487 -0.129 0.000 1.143 41 N HN 0.640 nan 8.380 nan 0.000 0.453 42 A N 0.464 123.232 122.820 -0.087 0.000 2.594 42 A HA 0.583 4.915 4.320 0.021 0.000 0.295 42 A C -1.749 175.793 177.584 -0.070 0.000 1.071 42 A CA -0.581 51.413 52.037 -0.072 0.000 0.685 42 A CB 1.166 20.129 19.000 -0.062 0.000 1.285 42 A HN 0.466 nan 8.150 nan 0.000 0.405 43 L N 2.817 124.006 121.223 -0.056 0.000 2.342 43 L HA 0.620 4.972 4.340 0.021 0.000 0.276 43 L C -1.331 175.525 176.870 -0.025 0.000 0.997 43 L CA -0.443 54.370 54.840 -0.045 0.000 0.838 43 L CB 1.088 43.120 42.059 -0.047 0.000 1.224 43 L HN 0.524 nan 8.230 nan 0.000 0.416 44 I N 3.864 124.426 120.570 -0.014 0.000 2.291 44 I HA 0.272 4.454 4.170 0.021 0.000 0.290 44 I C 0.378 176.505 176.117 0.016 0.000 1.050 44 I CA -0.017 61.284 61.300 0.002 0.000 1.245 44 I CB 0.725 38.731 38.000 0.010 0.000 1.405 44 I HN 0.612 nan 8.210 nan 0.000 0.478 45 S N 8.718 124.427 115.700 0.014 0.000 2.505 45 S HA 0.694 5.176 4.470 0.021 0.000 0.280 45 S C -0.362 174.253 174.600 0.024 0.000 1.197 45 S CA -0.529 57.680 58.200 0.014 0.000 1.138 45 S CB -0.256 62.947 63.200 0.005 0.000 1.010 45 S HN 0.521 nan 8.310 nan 0.000 0.480 46 I N 0.385 120.977 120.570 0.036 0.000 3.102 46 I HA 0.691 4.873 4.170 0.021 0.000 0.310 46 I C -3.064 173.085 176.117 0.053 0.000 1.246 46 I CA -3.240 58.093 61.300 0.056 0.000 0.979 46 I CB 1.713 39.764 38.000 0.085 0.000 1.267 46 I HN 0.152 nan 8.210 nan 0.000 0.451 47 P HA 0.119 nan 4.420 nan 0.000 0.265 47 P C 0.452 177.791 177.300 0.065 0.000 1.193 47 P CA 0.094 63.215 63.100 0.036 0.000 0.765 47 P CB 0.627 32.336 31.700 0.014 0.000 0.823 48 T N 2.030 116.619 114.554 0.058 0.000 2.803 48 T HA -0.206 4.157 4.350 0.021 0.000 0.269 48 T C 1.702 176.466 174.700 0.106 0.000 1.052 48 T CA 1.852 64.004 62.100 0.087 0.000 1.136 48 T CB -0.541 68.375 68.868 0.080 0.000 0.864 48 T HN 0.487 nan 8.240 nan 0.000 0.467 49 A N 0.967 123.832 122.820 0.076 0.000 2.216 49 A HA 0.050 4.383 4.320 0.021 0.000 0.214 49 A C 2.154 179.793 177.584 0.093 0.000 1.160 49 A CA 0.889 52.969 52.037 0.072 0.000 0.725 49 A CB -0.333 18.672 19.000 0.009 0.000 0.784 49 A HN 0.395 nan 8.150 nan 0.000 0.472 50 S N -0.630 115.150 115.700 0.133 0.000 2.582 50 S HA 0.401 4.884 4.470 0.021 0.000 0.234 50 S C 0.947 175.792 174.600 0.409 0.000 0.961 50 S CA 0.349 58.687 58.200 0.229 0.000 0.953 50 S CB -0.138 63.199 63.200 0.229 0.000 0.800 50 S HN 1.504 nan 8.310 nan 0.000 0.471 51 G N 2.640 111.634 108.800 0.324 0.000 2.392 51 G HA2 -0.267 3.705 3.960 0.021 0.000 0.290 51 G HA3 -0.267 3.705 3.960 0.021 0.000 0.290 51 G C 0.564 175.589 174.900 0.208 0.000 1.032 51 G CA 0.143 45.410 45.100 0.278 0.000 1.269 51 G HN 0.454 nan 8.290 nan 0.000 0.511 52 K N -0.536 119.969 120.400 0.176 0.000 2.103 52 K HA -0.067 4.265 4.320 0.021 0.000 0.204 52 K C 2.657 179.357 176.600 0.167 0.000 1.052 52 K CA 1.669 58.043 56.287 0.145 0.000 0.945 52 K CB -0.124 32.455 32.500 0.132 0.000 0.722 52 K HN 0.462 nan 8.250 nan 0.000 0.443 53 T N 2.157 116.833 114.554 0.203 0.000 2.803 53 T HA -0.144 4.218 4.350 0.021 0.000 0.269 53 T C 1.712 176.557 174.700 0.243 0.000 1.052 53 T CA 0.920 63.174 62.100 0.257 0.000 1.136 53 T CB -0.148 68.862 68.868 0.235 0.000 0.864 53 T HN 0.069 nan 8.240 nan 0.000 0.467 54 L N 0.855 122.198 121.223 0.200 0.000 2.141 54 L HA 0.162 4.514 4.340 0.021 0.000 0.209 54 L C 2.029 178.961 176.870 0.103 0.000 1.094 54 L CA 1.328 56.280 54.840 0.186 0.000 0.763 54 L CB -0.505 41.665 42.059 0.186 0.000 0.908 54 L HN 0.261 nan 8.230 nan 0.000 0.437 55 I N -0.678 119.923 120.570 0.052 0.000 2.493 55 I HA -0.233 3.950 4.170 0.021 0.000 0.254 55 I C 2.449 178.563 176.117 -0.005 0.000 1.160 55 I CA 0.958 62.237 61.300 -0.035 0.000 1.445 55 I CB -0.539 37.437 38.000 -0.040 0.000 1.086 55 I HN 0.328 nan 8.210 nan 0.000 0.433 56 A N 0.595 123.460 122.820 0.076 0.000 1.874 56 A HA -0.135 4.197 4.320 0.021 0.000 0.214 56 A C 2.207 179.806 177.584 0.025 0.000 1.189 56 A CA 1.075 53.170 52.037 0.096 0.000 0.615 56 A CB -0.429 18.730 19.000 0.263 0.000 0.830 56 A HN 0.364 nan 8.150 nan 0.000 0.443 57 E N -0.010 120.208 120.200 0.031 0.000 2.038 57 E HA -0.205 4.158 4.350 0.021 0.000 0.195 57 E C 1.881 178.330 176.600 -0.251 0.000 1.000 57 E CA 1.493 57.798 56.400 -0.159 0.000 0.803 57 E CB -0.393 29.373 29.700 0.110 0.000 0.750 57 E HN 0.675 nan 8.360 nan 0.000 0.448 58 I N 1.098 121.621 120.570 -0.078 0.000 2.286 58 I HA -0.261 3.921 4.170 0.021 0.000 0.248 58 I C 2.498 178.547 176.117 -0.113 0.000 1.115 58 I CA 1.023 62.273 61.300 -0.084 0.000 1.392 58 I CB -0.250 37.731 38.000 -0.031 0.000 1.065 58 I HN 0.087 nan 8.210 nan 0.000 0.418 59 A N 0.168 122.926 122.820 -0.102 0.000 2.016 59 A HA -0.094 4.238 4.320 0.021 0.000 0.217 59 A C 2.334 179.879 177.584 -0.065 0.000 1.162 59 A CA 0.985 52.980 52.037 -0.071 0.000 0.662 59 A CB -0.335 18.624 19.000 -0.070 0.000 0.812 59 A HN 0.289 nan 8.150 nan 0.000 0.450 60 M N -0.920 118.594 119.600 -0.144 0.000 2.081 60 M HA -0.103 4.389 4.480 0.021 0.000 0.261 60 M C 2.150 178.298 176.300 -0.253 0.000 1.075 60 M CA 1.427 56.615 55.300 -0.186 0.000 1.133 60 M CB -0.543 31.905 32.600 -0.252 0.000 1.330 60 M HN 0.221 nan 8.290 nan 0.000 0.414 61 V N -0.126 119.532 119.914 -0.426 0.000 2.287 61 V HA -0.316 3.817 4.120 0.021 0.000 0.248 61 V C 2.329 178.275 176.094 -0.246 0.000 1.053 61 V CA 2.511 64.523 62.300 -0.480 0.000 1.027 61 V CB -1.124 30.157 31.823 -0.903 0.000 0.646 61 V HN 0.541 nan 8.190 nan 0.000 0.447 62 H N 0.339 119.268 119.070 -0.236 0.000 2.422 62 H HA -0.209 4.361 4.556 0.023 0.000 0.298 62 H C 2.290 177.551 175.328 -0.112 0.000 1.098 62 H CA 2.197 58.163 56.048 -0.137 0.000 1.315 62 H CB -0.024 29.675 29.762 -0.105 0.000 1.382 62 H HN 0.254 nan 8.280 nan 0.000 0.523 63 R N 0.705 121.138 120.500 -0.112 0.000 2.061 63 R HA -0.041 4.312 4.340 0.021 0.000 0.230 63 R C 2.346 178.548 176.300 -0.163 0.000 1.140 63 R CA 1.996 58.023 56.100 -0.121 0.000 0.940 63 R CB -0.863 29.404 30.300 -0.055 0.000 0.839 63 R HN 0.509 nan 8.270 nan 0.000 0.429 64 I N 0.464 120.943 120.570 -0.151 0.000 2.099 64 I HA -0.330 3.852 4.170 0.021 0.000 0.239 64 I C 2.204 178.240 176.117 -0.136 0.000 1.066 64 I CA 1.553 62.776 61.300 -0.128 0.000 1.324 64 I CB -0.380 37.538 38.000 -0.136 0.000 1.037 64 I HN 0.180 nan 8.210 nan 0.000 0.401 65 L N -0.014 121.110 121.223 -0.165 0.000 2.043 65 L HA -0.229 4.124 4.340 0.021 0.000 0.212 65 L C 2.401 179.173 176.870 -0.162 0.000 1.075 65 L CA 1.707 56.461 54.840 -0.144 0.000 0.752 65 L CB -1.006 40.971 42.059 -0.137 0.000 0.891 65 L HN 0.310 nan 8.230 nan 0.000 0.432 66 T N -1.244 113.158 114.554 -0.254 0.000 3.088 66 T HA -0.027 4.336 4.350 0.021 0.000 0.259 66 T C 1.083 175.698 174.700 -0.140 0.000 1.122 66 T CA 0.690 62.651 62.100 -0.231 0.000 1.095 66 T CB 0.058 68.693 68.868 -0.388 0.000 0.930 66 T HN 0.491 nan 8.240 nan 0.000 0.508 67 Q N 0.058 119.787 119.800 -0.119 0.000 1.950 67 Q HA 0.382 4.735 4.340 0.021 0.000 0.207 67 Q C 0.803 176.773 176.000 -0.050 0.000 0.813 67 Q CA -0.304 55.456 55.803 -0.071 0.000 0.989 67 Q CB 0.793 29.494 28.738 -0.062 0.000 1.241 67 Q HN 0.346 nan 8.270 nan 0.000 0.418 68 G N 1.087 109.853 108.800 -0.055 0.000 2.726 68 G HA2 -0.010 3.962 3.960 0.021 0.000 0.261 68 G HA3 -0.010 3.962 3.960 0.021 0.000 0.261 68 G C 0.408 175.295 174.900 -0.023 0.000 1.352 68 G CA 0.120 45.199 45.100 -0.036 0.000 0.906 68 G HN 1.117 nan 8.290 nan 0.000 0.566 69 G N -1.823 106.976 108.800 -0.001 0.000 2.660 69 G HA2 0.327 4.299 3.960 0.021 0.000 0.247 69 G HA3 0.327 4.299 3.960 0.021 0.000 0.247 69 G C -0.397 174.514 174.900 0.018 0.000 1.328 69 G CA 0.665 45.779 45.100 0.024 0.000 0.884 69 G HN 1.349 nan 8.290 nan 0.000 0.531 70 K N -0.498 119.932 120.400 0.050 0.000 2.350 70 K HA 0.840 5.172 4.320 0.021 0.000 0.241 70 K C 0.023 176.643 176.600 0.034 0.000 0.994 70 K CA -0.100 56.210 56.287 0.039 0.000 0.839 70 K CB 2.245 34.791 32.500 0.075 0.000 1.244 70 K HN 1.338 nan 8.250 nan 0.000 0.443 71 A N 0.981 123.806 122.820 0.007 0.000 2.355 71 A HA 0.613 4.946 4.320 0.021 0.000 0.317 71 A C -1.135 176.469 177.584 0.032 0.000 1.094 71 A CA -0.697 51.338 52.037 -0.003 0.000 0.764 71 A CB 1.068 20.028 19.000 -0.067 0.000 1.230 71 A HN 0.354 nan 8.150 nan 0.000 0.448 72 V N 2.373 122.301 119.914 0.023 0.000 2.417 72 V HA 0.304 4.437 4.120 0.021 0.000 0.291 72 V C -1.118 174.988 176.094 0.020 0.000 1.024 72 V CA -0.338 61.964 62.300 0.003 0.000 0.861 72 V CB 1.236 32.958 31.823 -0.168 0.000 0.985 72 V HN 0.794 nan 8.190 nan 0.000 0.436 73 Y N 5.718 126.020 120.300 0.002 0.000 2.402 73 Y HA 0.543 5.106 4.550 0.022 0.000 0.332 73 Y C -0.190 175.722 175.900 0.019 0.000 0.960 73 Y CA -0.892 57.245 58.100 0.061 0.000 1.228 73 Y CB 0.887 39.499 38.460 0.255 0.000 1.120 73 Y HN 0.429 nan 8.280 nan 0.000 0.491 74 I N 7.393 127.793 120.570 -0.284 0.000 2.352 74 I HA 0.215 4.397 4.170 0.021 0.000 0.290 74 I C -0.339 175.680 176.117 -0.162 0.000 1.036 74 I CA -0.475 60.720 61.300 -0.174 0.000 1.336 74 I CB 0.946 38.825 38.000 -0.202 0.000 1.407 74 I HN 0.328 nan 8.210 nan 0.000 0.497 75 V N 9.799 129.722 119.914 0.016 0.000 2.628 75 V HA 0.360 4.492 4.120 0.021 0.000 0.306 75 V C -1.517 174.600 176.094 0.039 0.000 1.045 75 V CA -1.802 60.537 62.300 0.065 0.000 0.905 75 V CB 2.354 34.282 31.823 0.175 0.000 0.997 75 V HN 0.498 nan 8.190 nan 0.000 0.436 76 P HA -0.098 nan 4.420 nan 0.000 0.216 76 P C -0.810 176.512 177.300 0.037 0.000 1.157 76 P CA 1.404 64.514 63.100 0.017 0.000 0.880 76 P CB 0.094 31.800 31.700 0.010 0.000 0.791 77 L N -2.363 118.890 121.223 0.050 0.000 2.445 77 L HA 0.256 4.609 4.340 0.021 0.000 0.262 77 L C 0.177 177.076 176.870 0.049 0.000 0.974 77 L CA -0.832 54.039 54.840 0.051 0.000 0.822 77 L CB 1.566 43.657 42.059 0.054 0.000 1.339 77 L HN -0.248 nan 8.230 nan 0.000 0.409 78 K N 1.105 121.528 120.400 0.037 0.000 2.978 78 K HA 0.430 4.762 4.320 0.021 0.000 0.261 78 K C 0.481 177.092 176.600 0.017 0.000 1.181 78 K CA 0.649 56.948 56.287 0.020 0.000 1.164 78 K CB -0.182 32.313 32.500 -0.009 0.000 1.331 78 K HN 0.673 nan 8.250 nan 0.000 0.266 79 A N 0.851 123.691 122.820 0.032 0.000 2.233 79 A HA 0.135 4.467 4.320 0.021 0.000 0.163 79 A C 1.149 178.760 177.584 0.044 0.000 1.845 79 A CA -0.407 51.651 52.037 0.035 0.000 1.390 79 A CB 0.235 19.264 19.000 0.048 0.000 1.601 79 A HN 0.357 nan 8.150 nan 0.000 0.398 80 L N 0.298 121.552 121.223 0.053 0.000 2.611 80 L HA 0.279 4.631 4.340 0.021 0.000 0.229 80 L C 2.201 179.098 176.870 0.046 0.000 1.137 80 L CA 0.661 55.534 54.840 0.055 0.000 0.901 80 L CB 0.281 42.383 42.059 0.071 0.000 1.098 80 L HN 0.448 nan 8.230 nan 0.000 0.456 81 A N 0.073 122.920 122.820 0.044 0.000 1.943 81 A HA -0.105 4.228 4.320 0.021 0.000 0.213 81 A C 2.168 179.779 177.584 0.045 0.000 1.181 81 A CA 0.810 52.875 52.037 0.047 0.000 0.653 81 A CB -0.055 18.971 19.000 0.044 0.000 0.833 81 A HN 0.282 nan 8.150 nan 0.000 0.451 82 E N 0.510 120.729 120.200 0.033 0.000 2.268 82 E HA -0.065 4.297 4.350 0.021 0.000 0.195 82 E C 1.829 178.482 176.600 0.089 0.000 0.995 82 E CA 1.706 58.143 56.400 0.062 0.000 0.836 82 E CB -0.201 29.513 29.700 0.024 0.000 0.763 82 E HN 0.610 nan 8.360 nan 0.000 0.491 83 E N 0.799 121.016 120.200 0.028 0.000 2.230 83 E HA 0.010 4.372 4.350 0.021 0.000 0.192 83 E C 1.824 178.358 176.600 -0.110 0.000 0.987 83 E CA 0.788 57.183 56.400 -0.009 0.000 0.841 83 E CB -0.507 29.192 29.700 -0.002 0.000 0.783 83 E HN -0.002 nan 8.360 nan 0.000 0.481 84 K N -0.956 119.335 120.400 -0.182 0.000 2.296 84 K HA 0.106 4.438 4.320 0.021 0.000 0.200 84 K C 1.782 178.048 176.600 -0.557 0.000 1.048 84 K CA 0.540 56.493 56.287 -0.558 0.000 0.966 84 K CB -0.250 31.922 32.500 -0.546 0.000 0.754 84 K HN 0.445 nan 8.250 nan 0.000 0.466 85 F N 2.515 122.307 119.950 -0.265 0.000 2.149 85 F HA -0.122 4.422 4.527 0.028 0.000 0.294 85 F C 2.243 178.027 175.800 -0.027 0.000 1.095 85 F CA 1.278 59.228 58.000 -0.083 0.000 1.276 85 F CB 0.114 39.101 39.000 -0.021 0.000 1.023 85 F HN -0.052 nan 8.300 nan 0.000 0.480 86 Q N 0.876 120.683 119.800 0.011 0.000 2.084 86 Q HA -0.218 4.134 4.340 0.021 0.000 0.202 86 Q C 2.081 178.027 176.000 -0.090 0.000 0.978 86 Q CA 2.006 57.782 55.803 -0.044 0.000 0.844 86 Q CB -0.857 27.894 28.738 0.023 0.000 0.898 86 Q HN 0.719 nan 8.270 nan 0.000 0.426 87 E N -0.707 119.430 120.200 -0.105 0.000 2.418 87 E HA -0.067 4.295 4.350 0.021 0.000 0.197 87 E C 1.163 177.855 176.600 0.153 0.000 1.026 87 E CA 0.349 56.725 56.400 -0.040 0.000 0.862 87 E CB -0.276 29.382 29.700 -0.070 0.000 0.799 87 E HN 0.362 nan 8.360 nan 0.000 0.518 88 F N 1.165 121.062 119.950 -0.089 0.000 2.660 88 F HA 0.144 4.688 4.527 0.028 0.000 0.302 88 F C 1.952 177.703 175.800 -0.083 0.000 1.103 88 F CA -0.722 57.285 58.000 0.011 0.000 1.340 88 F CB 0.476 39.475 39.000 -0.001 0.000 1.048 88 F HN -0.026 nan 8.300 nan 0.000 0.551 89 Q N 0.845 120.622 119.800 -0.039 0.000 2.083 89 Q HA -0.174 4.178 4.340 0.021 0.000 0.198 89 Q C 1.409 177.348 176.000 -0.101 0.000 0.969 89 Q CA 1.713 57.440 55.803 -0.126 0.000 0.838 89 Q CB -0.660 27.983 28.738 -0.159 0.000 0.900 89 Q HN 0.585 nan 8.270 nan 0.000 0.436 90 D N -1.184 119.102 120.400 -0.190 0.000 2.389 90 D HA -0.190 4.462 4.640 0.021 0.000 0.221 90 D C 1.102 177.173 176.300 -0.382 0.000 0.974 90 D CA 0.631 54.449 54.000 -0.303 0.000 0.923 90 D CB -0.614 39.944 40.800 -0.404 0.000 0.892 90 D HN 0.298 nan 8.370 nan 0.000 0.518 91 W N 0.907 122.180 121.300 -0.045 0.000 2.905 91 W HA 0.178 4.822 4.660 -0.026 0.000 0.251 91 W C 1.776 178.266 176.519 -0.049 0.000 1.305 91 W CA -0.175 57.133 57.345 -0.061 0.000 1.465 91 W CB 0.200 29.593 29.460 -0.111 0.000 1.122 91 W HN 0.012 nan 8.180 nan 0.000 0.659 92 E N 0.443 120.713 120.200 0.117 0.000 2.427 92 E HA -0.102 4.260 4.350 0.021 0.000 0.196 92 E C 1.637 178.262 176.600 0.041 0.000 1.028 92 E CA 0.576 57.021 56.400 0.075 0.000 0.864 92 E CB -0.059 29.665 29.700 0.041 0.000 0.813 92 E HN 0.355 nan 8.360 nan 0.000 0.514 93 K N 0.963 121.369 120.400 0.011 0.000 2.283 93 K HA -0.074 4.258 4.320 0.021 0.000 0.202 93 K C 1.961 178.574 176.600 0.022 0.000 1.048 93 K CA 0.858 57.140 56.287 -0.008 0.000 0.948 93 K CB -0.083 32.383 32.500 -0.055 0.000 0.742 93 K HN 0.282 nan 8.250 nan 0.000 0.458 94 I N -3.651 116.960 120.570 0.069 0.000 3.914 94 I HA 0.329 4.511 4.170 0.021 0.000 0.333 94 I C 0.511 176.669 176.117 0.067 0.000 1.449 94 I CA 0.003 61.353 61.300 0.083 0.000 1.135 94 I CB 0.383 38.473 38.000 0.151 0.000 1.073 94 I HN 0.133 nan 8.210 nan 0.000 0.401 95 G N 1.832 110.664 108.800 0.052 0.000 2.143 95 G HA2 -0.220 3.752 3.960 0.021 0.000 0.249 95 G HA3 -0.220 3.752 3.960 0.021 0.000 0.249 95 G C -0.040 174.878 174.900 0.030 0.000 0.981 95 G CA 0.051 45.169 45.100 0.031 0.000 0.665 95 G HN 0.420 nan 8.290 nan 0.000 0.528 96 L N -0.076 121.185 121.223 0.064 0.000 2.326 96 L HA 0.570 4.923 4.340 0.021 0.000 0.278 96 L C 0.999 177.909 176.870 0.067 0.000 1.092 96 L CA -0.875 53.998 54.840 0.054 0.000 0.810 96 L CB 1.146 43.248 42.059 0.072 0.000 1.153 96 L HN 0.105 nan 8.230 nan 0.000 0.439 97 R N 1.941 122.472 120.500 0.052 0.000 2.202 97 R HA 0.420 4.772 4.340 0.021 0.000 0.334 97 R C -1.123 175.363 176.300 0.310 0.000 1.036 97 R CA -0.266 55.899 56.100 0.107 0.000 0.878 97 R CB 1.021 31.252 30.300 -0.115 0.000 1.067 97 R HN 0.348 nan 8.270 nan 0.000 0.457 98 V N 3.936 124.068 119.914 0.364 0.000 2.370 98 V HA 0.685 4.817 4.120 0.021 0.000 0.283 98 V C -0.073 176.295 176.094 0.457 0.000 1.023 98 V CA -0.553 61.944 62.300 0.330 0.000 0.857 98 V CB 1.376 33.284 31.823 0.141 0.000 0.985 98 V HN 0.914 nan 8.190 nan 0.000 0.443 99 A N 5.715 128.658 122.820 0.206 0.000 2.354 99 A HA 0.967 5.299 4.320 0.021 0.000 0.321 99 A C -0.686 176.950 177.584 0.087 0.000 1.125 99 A CA -0.769 51.192 52.037 -0.126 0.000 0.799 99 A CB 1.874 20.267 19.000 -1.011 0.000 1.293 99 A HN 0.836 nan 8.150 nan 0.000 0.452 100 M N 1.692 121.268 119.600 -0.040 0.000 2.197 100 M HA 0.647 5.139 4.480 0.021 0.000 0.301 100 M C -1.008 175.277 176.300 -0.025 0.000 0.987 100 M CA -0.393 54.869 55.300 -0.064 0.000 0.921 100 M CB 1.555 33.940 32.600 -0.358 0.000 1.569 100 M HN 0.915 nan 8.290 nan 0.000 0.431 101 A N 3.227 126.054 122.820 0.012 0.000 2.332 101 A HA 0.655 4.988 4.320 0.021 0.000 0.300 101 A C 0.188 177.797 177.584 0.041 0.000 1.153 101 A CA -0.352 51.713 52.037 0.047 0.000 0.764 101 A CB 0.785 19.800 19.000 0.025 0.000 1.174 101 A HN 0.940 nan 8.150 nan 0.000 0.467 102 T N 0.150 114.704 114.554 -0.000 0.000 3.182 102 T HA 0.455 4.817 4.350 0.021 0.000 0.244 102 T C 1.172 175.795 174.700 -0.129 0.000 0.981 102 T CA 0.851 62.931 62.100 -0.034 0.000 1.182 102 T CB -0.356 68.479 68.868 -0.056 0.000 1.043 102 T HN 0.955 nan 8.240 nan 0.000 0.424 103 G N 0.321 108.982 108.800 -0.230 0.000 3.194 103 G HA2 0.431 4.403 3.960 0.021 0.000 0.160 103 G HA3 0.431 4.403 3.960 0.021 0.000 0.160 103 G C -0.726 173.890 174.900 -0.474 0.000 1.267 103 G CA 0.198 44.980 45.100 -0.531 0.000 0.962 103 G HN 0.443 nan 8.290 nan 0.000 0.612 104 D N -0.897 119.215 120.400 -0.481 0.000 2.803 104 D HA -0.173 4.479 4.640 0.021 0.000 0.233 104 D C 0.571 176.779 176.300 -0.153 0.000 1.182 104 D CA 0.320 54.158 54.000 -0.270 0.000 0.726 104 D CB -0.913 39.808 40.800 -0.131 0.000 0.987 104 D HN 0.542 nan 8.370 nan 0.000 0.412 105 Y N -0.377 119.852 120.300 -0.117 0.000 2.403 105 Y HA -0.157 4.405 4.550 0.020 0.000 0.291 105 Y C 1.927 177.927 175.900 0.166 0.000 1.143 105 Y CA 0.651 58.728 58.100 -0.038 0.000 1.257 105 Y CB 0.099 38.512 38.460 -0.079 0.000 0.984 105 Y HN 0.112 nan 8.280 nan 0.000 0.550 106 D N 0.933 121.523 120.400 0.317 0.000 3.057 106 D HA 0.117 4.769 4.640 0.021 0.000 0.246 106 D C -0.743 175.502 176.300 -0.091 0.000 1.238 106 D CA -0.068 54.114 54.000 0.302 0.000 0.949 106 D CB -0.254 40.858 40.800 0.519 0.000 1.086 106 D HN 0.144 nan 8.370 nan 0.000 0.487 107 S N -1.002 114.405 115.700 -0.488 0.000 2.552 107 S HA 0.302 4.784 4.470 0.021 0.000 0.272 107 S C 0.471 174.779 174.600 -0.487 0.000 1.150 107 S CA -0.981 56.971 58.200 -0.413 0.000 0.849 107 S CB 1.551 64.700 63.200 -0.085 0.000 1.113 107 S HN 0.045 nan 8.310 nan 0.000 0.458 108 K N 0.227 120.474 120.400 -0.256 0.000 2.365 108 K HA 0.094 4.426 4.320 0.021 0.000 0.197 108 K C -0.711 175.890 176.600 0.001 0.000 1.042 108 K CA 0.406 56.630 56.287 -0.105 0.000 0.987 108 K CB -0.386 32.094 32.500 -0.033 0.000 0.779 108 K HN 0.704 nan 8.250 nan 0.000 0.484 109 D N 1.653 122.078 120.400 0.042 0.000 2.737 109 D HA -0.148 4.505 4.640 0.021 0.000 0.238 109 D C 0.502 176.797 176.300 -0.009 0.000 1.157 109 D CA 0.556 54.569 54.000 0.021 0.000 0.694 109 D CB -0.616 40.104 40.800 -0.133 0.000 1.021 109 D HN 0.204 nan 8.370 nan 0.000 0.420 110 E N -0.620 119.674 120.200 0.157 0.000 2.338 110 E HA -0.141 4.221 4.350 0.021 0.000 0.197 110 E C 2.027 178.737 176.600 0.184 0.000 1.007 110 E CA 0.610 57.148 56.400 0.230 0.000 0.849 110 E CB -0.173 29.644 29.700 0.195 0.000 0.774 110 E HN 0.789 nan 8.360 nan 0.000 0.506 111 W N 0.041 121.428 121.300 0.145 0.000 2.468 111 W HA -0.060 4.608 4.660 0.014 0.000 0.262 111 W C 1.037 177.615 176.519 0.098 0.000 1.241 111 W CA 0.188 57.598 57.345 0.109 0.000 1.232 111 W CB -0.861 28.654 29.460 0.092 0.000 1.124 111 W HN -0.033 nan 8.180 nan 0.000 0.597 112 L N 1.665 122.471 121.223 -0.695 0.000 2.552 112 L HA 0.131 4.483 4.340 0.021 0.000 0.227 112 L C 2.698 179.128 176.870 -0.733 0.000 1.146 112 L CA 0.799 55.078 54.840 -0.934 0.000 0.858 112 L CB -0.926 40.253 42.059 -1.467 0.000 0.969 112 L HN 0.061 nan 8.230 nan 0.000 0.451 113 G N 0.737 109.276 108.800 -0.435 0.000 2.559 113 G HA2 -0.215 3.757 3.960 0.021 0.000 0.216 113 G HA3 -0.215 3.757 3.960 0.021 0.000 0.216 113 G C 1.375 176.231 174.900 -0.074 0.000 1.126 113 G CA 0.371 45.352 45.100 -0.198 0.000 0.778 113 G HN 0.541 nan 8.290 nan 0.000 0.543 114 K N -0.976 119.405 120.400 -0.032 0.000 2.397 114 K HA 0.279 4.611 4.320 0.021 0.000 0.202 114 K C -0.684 175.757 176.600 -0.264 0.000 1.022 114 K CA -0.563 55.660 56.287 -0.108 0.000 1.141 114 K CB 0.125 32.556 32.500 -0.114 0.000 0.857 114 K HN 0.255 nan 8.250 nan 0.000 0.514 115 Y N 0.867 121.091 120.300 -0.128 0.000 2.496 115 Y HA 0.220 4.787 4.550 0.029 0.000 0.331 115 Y C 0.897 176.730 175.900 -0.112 0.000 1.140 115 Y CA -0.808 57.236 58.100 -0.094 0.000 1.166 115 Y CB 1.629 40.025 38.460 -0.106 0.000 1.249 115 Y HN -0.053 nan 8.280 nan 0.000 0.479 116 D N 0.738 121.187 120.400 0.083 0.000 2.394 116 D HA 0.168 4.820 4.640 0.021 0.000 0.226 116 D C -0.127 176.173 176.300 0.001 0.000 0.990 116 D CA 1.087 55.094 54.000 0.012 0.000 0.902 116 D CB 0.919 41.709 40.800 -0.017 0.000 1.038 116 D HN 0.311 nan 8.370 nan 0.000 0.499 117 I N 2.033 122.626 120.570 0.039 0.000 2.410 117 I HA 0.311 4.493 4.170 0.021 0.000 0.286 117 I C -0.557 175.609 176.117 0.081 0.000 1.009 117 I CA -0.436 60.875 61.300 0.019 0.000 1.111 117 I CB 2.258 40.227 38.000 -0.052 0.000 1.262 117 I HN -0.301 nan 8.210 nan 0.000 0.443 118 I N 7.122 127.729 120.570 0.061 0.000 2.406 118 I HA 0.456 4.638 4.170 0.021 0.000 0.290 118 I C -0.382 175.828 176.117 0.156 0.000 0.999 118 I CA -0.581 60.743 61.300 0.041 0.000 1.124 118 I CB 1.957 39.907 38.000 -0.083 0.000 1.289 118 I HN 0.382 nan 8.210 nan 0.000 0.441 119 I N 5.756 126.442 120.570 0.193 0.000 2.377 119 I HA 0.745 4.927 4.170 0.021 0.000 0.293 119 I C 0.088 176.306 176.117 0.168 0.000 0.987 119 I CA -0.183 61.269 61.300 0.254 0.000 1.185 119 I CB 1.669 39.837 38.000 0.280 0.000 1.341 119 I HN 0.673 nan 8.210 nan 0.000 0.455 120 A N 3.535 126.454 122.820 0.165 0.000 2.612 120 A HA 0.718 5.051 4.320 0.021 0.000 0.293 120 A C -0.311 177.341 177.584 0.114 0.000 1.075 120 A CA -0.640 51.480 52.037 0.138 0.000 0.680 120 A CB 1.422 20.539 19.000 0.195 0.000 1.279 120 A HN 0.667 nan 8.150 nan 0.000 0.411 121 T N -0.958 113.661 114.554 0.107 0.000 2.816 121 T HA 0.557 4.919 4.350 0.021 0.000 0.282 121 T C 1.416 176.180 174.700 0.107 0.000 0.993 121 T CA 0.266 62.419 62.100 0.088 0.000 0.994 121 T CB 1.186 70.102 68.868 0.081 0.000 1.025 121 T HN 1.816 nan 8.240 nan 0.000 0.529 122 A N 0.690 123.563 122.820 0.087 0.000 1.902 122 A HA -0.048 4.285 4.320 0.021 0.000 0.217 122 A C 2.196 179.857 177.584 0.128 0.000 1.181 122 A CA 1.655 53.765 52.037 0.122 0.000 0.623 122 A CB -1.057 18.002 19.000 0.098 0.000 0.818 122 A HN 0.909 nan 8.150 nan 0.000 0.443 123 E N -0.056 120.172 120.200 0.047 0.000 2.031 123 E HA -0.189 4.174 4.350 0.021 0.000 0.193 123 E C 2.023 178.394 176.600 -0.382 0.000 0.994 123 E CA 1.634 57.924 56.400 -0.183 0.000 0.800 123 E CB -0.235 29.320 29.700 -0.241 0.000 0.752 123 E HN 0.545 nan 8.360 nan 0.000 0.447 124 K N 0.206 120.587 120.400 -0.032 0.000 2.063 124 K HA -0.150 4.182 4.320 0.021 0.000 0.208 124 K C 1.844 178.497 176.600 0.088 0.000 1.048 124 K CA 1.243 57.587 56.287 0.096 0.000 0.928 124 K CB -0.648 31.953 32.500 0.169 0.000 0.713 124 K HN 0.172 nan 8.250 nan 0.000 0.442 125 F N 1.185 121.143 119.950 0.014 0.000 2.206 125 F HA -0.064 4.475 4.527 0.019 0.000 0.298 125 F C 1.810 177.635 175.800 0.041 0.000 1.090 125 F CA 1.824 59.857 58.000 0.055 0.000 1.323 125 F CB -0.538 38.511 39.000 0.081 0.000 1.028 125 F HN 0.246 nan 8.300 nan 0.000 0.492 126 D N -0.317 120.146 120.400 0.105 0.000 2.123 126 D HA -0.202 4.450 4.640 0.021 0.000 0.196 126 D C 2.296 178.617 176.300 0.035 0.000 0.992 126 D CA 1.833 55.899 54.000 0.110 0.000 0.833 126 D CB -0.285 40.672 40.800 0.261 0.000 0.954 126 D HN 0.346 nan 8.370 nan 0.000 0.455 127 S N -0.612 115.032 115.700 -0.094 0.000 2.406 127 S HA -0.069 4.414 4.470 0.021 0.000 0.228 127 S C 2.332 176.953 174.600 0.036 0.000 1.020 127 S CA 0.460 58.655 58.200 -0.009 0.000 0.965 127 S CB -0.698 62.418 63.200 -0.140 0.000 0.798 127 S HN 0.345 nan 8.310 nan 0.000 0.488 128 L N 0.714 121.889 121.223 -0.080 0.000 2.046 128 L HA -0.017 4.335 4.340 0.021 0.000 0.208 128 L C 2.595 179.275 176.870 -0.318 0.000 1.077 128 L CA 1.167 55.910 54.840 -0.162 0.000 0.747 128 L CB -0.584 41.323 42.059 -0.252 0.000 0.896 128 L HN 0.315 nan 8.230 nan 0.000 0.432 129 L N -0.852 120.120 121.223 -0.419 0.000 2.131 129 L HA -0.191 4.161 4.340 0.021 0.000 0.210 129 L C 2.794 179.457 176.870 -0.346 0.000 1.092 129 L CA 1.138 55.765 54.840 -0.355 0.000 0.759 129 L CB -0.417 41.504 42.059 -0.230 0.000 0.903 129 L HN 0.201 nan 8.230 nan 0.000 0.435 130 R N -1.165 119.156 120.500 -0.297 0.000 2.075 130 R HA -0.103 4.250 4.340 0.021 0.000 0.232 130 R C 2.135 178.127 176.300 -0.513 0.000 1.126 130 R CA 0.922 56.713 56.100 -0.516 0.000 0.963 130 R CB -0.365 29.755 30.300 -0.300 0.000 0.858 130 R HN 0.434 nan 8.270 nan 0.000 0.435 131 H N -0.330 118.599 119.070 -0.235 0.000 2.559 131 H HA 0.028 4.596 4.556 0.021 0.000 0.273 131 H C 1.029 176.218 175.328 -0.232 0.000 1.000 131 H CA 1.117 57.057 56.048 -0.180 0.000 1.195 131 H CB 0.120 29.819 29.762 -0.105 0.000 1.368 131 H HN 0.491 nan 8.280 nan 0.000 0.592 132 G N 1.507 110.164 108.800 -0.239 0.000 2.246 132 G HA2 -0.298 3.675 3.960 0.021 0.000 0.273 132 G HA3 -0.298 3.675 3.960 0.021 0.000 0.273 132 G C 0.102 174.842 174.900 -0.265 0.000 1.055 132 G CA 0.480 45.423 45.100 -0.262 0.000 0.851 132 G HN 0.342 nan 8.290 nan 0.000 0.500 133 S N -0.130 115.351 115.700 -0.365 0.000 2.642 133 S HA 0.177 4.660 4.470 0.021 0.000 0.308 133 S C 1.754 176.030 174.600 -0.539 0.000 1.255 133 S CA 0.659 58.549 58.200 -0.516 0.000 1.057 133 S CB 1.411 64.034 63.200 -0.962 0.000 0.785 133 S HN 1.207 nan 8.310 nan 0.000 0.500 134 S N 3.749 119.263 115.700 -0.311 0.000 2.374 134 S HA -0.145 4.338 4.470 0.021 0.000 0.227 134 S C 1.741 176.276 174.600 -0.108 0.000 1.037 134 S CA 1.726 59.840 58.200 -0.143 0.000 1.024 134 S CB -0.363 62.844 63.200 0.012 0.000 0.861 134 S HN 0.938 nan 8.310 nan 0.000 0.456 135 W N 0.646 121.940 121.300 -0.009 0.000 2.678 135 W HA 0.153 4.831 4.660 0.030 0.000 0.256 135 W C 1.578 178.111 176.519 0.024 0.000 1.280 135 W CA -0.113 57.236 57.345 0.007 0.000 1.345 135 W CB -0.993 28.469 29.460 0.003 0.000 1.118 135 W HN 0.282 nan 8.180 nan 0.000 0.629 136 I N 2.716 123.043 120.570 -0.405 0.000 2.315 136 I HA -0.385 3.798 4.170 0.021 0.000 0.251 136 I C 2.574 178.700 176.117 0.015 0.000 1.125 136 I CA 2.412 63.569 61.300 -0.238 0.000 1.392 136 I CB -0.388 37.337 38.000 -0.459 0.000 1.065 136 I HN 0.011 nan 8.210 nan 0.000 0.424 137 K N -0.090 120.309 120.400 -0.001 0.000 2.442 137 K HA -0.114 4.218 4.320 0.021 0.000 0.198 137 K C 0.909 177.558 176.600 0.083 0.000 1.042 137 K CA 1.247 57.558 56.287 0.039 0.000 0.958 137 K CB -0.114 32.398 32.500 0.019 0.000 0.766 137 K HN 0.257 nan 8.250 nan 0.000 0.474 138 D N 1.158 121.639 120.400 0.135 0.000 2.354 138 D HA 0.020 4.673 4.640 0.021 0.000 0.209 138 D C -0.041 176.349 176.300 0.150 0.000 1.015 138 D CA 0.163 54.247 54.000 0.140 0.000 0.867 138 D CB 0.355 41.255 40.800 0.167 0.000 0.933 138 D HN -0.023 nan 8.370 nan 0.000 0.520 139 V N 2.392 122.425 119.914 0.198 0.000 2.485 139 V HA -0.023 4.109 4.120 0.021 0.000 0.287 139 V C 1.383 177.542 176.094 0.108 0.000 1.022 139 V CA 0.480 62.892 62.300 0.188 0.000 1.067 139 V CB 1.177 33.160 31.823 0.267 0.000 0.967 139 V HN -0.038 nan 8.190 nan 0.000 0.479 140 K N 4.613 125.052 120.400 0.065 0.000 2.380 140 K HA 0.451 4.784 4.320 0.021 0.000 0.198 140 K C 0.003 176.609 176.600 0.011 0.000 1.070 140 K CA 0.284 56.589 56.287 0.031 0.000 1.040 140 K CB 1.294 33.800 32.500 0.010 0.000 0.903 140 K HN 0.624 nan 8.250 nan 0.000 0.549 141 I N 0.195 120.770 120.570 0.008 0.000 2.743 141 I HA 0.322 4.505 4.170 0.021 0.000 0.292 141 I C -2.130 173.969 176.117 -0.030 0.000 1.343 141 I CA -1.094 60.194 61.300 -0.018 0.000 1.038 141 I CB 2.070 40.053 38.000 -0.030 0.000 1.311 141 I HN -0.104 nan 8.210 nan 0.000 0.426 142 L N 8.093 129.279 121.223 -0.062 0.000 2.409 142 L HA 0.687 5.039 4.340 0.021 0.000 0.272 142 L C -1.709 175.082 176.870 -0.131 0.000 0.980 142 L CA -0.519 54.252 54.840 -0.115 0.000 0.826 142 L CB 1.878 43.840 42.059 -0.163 0.000 1.268 142 L HN 0.405 nan 8.230 nan 0.000 0.407 143 V N 4.505 124.327 119.914 -0.154 0.000 2.370 143 V HA 0.667 4.799 4.120 0.021 0.000 0.283 143 V C 0.293 176.173 176.094 -0.358 0.000 1.023 143 V CA -0.370 61.809 62.300 -0.203 0.000 0.857 143 V CB 1.454 33.203 31.823 -0.123 0.000 0.985 143 V HN 0.848 nan 8.190 nan 0.000 0.443 144 A N 3.495 126.153 122.820 -0.270 0.000 2.256 144 A HA 0.582 4.914 4.320 0.021 0.000 0.317 144 A C -0.393 177.050 177.584 -0.236 0.000 1.318 144 A CA -0.456 51.426 52.037 -0.257 0.000 0.894 144 A CB 0.430 19.338 19.000 -0.153 0.000 1.165 144 A HN 0.764 nan 8.150 nan 0.000 0.525 145 D N 1.978 122.197 120.400 -0.302 0.000 2.302 145 D HA 0.243 4.895 4.640 0.021 0.000 0.248 145 D C 0.190 176.450 176.300 -0.066 0.000 1.094 145 D CA 0.532 54.445 54.000 -0.146 0.000 0.897 145 D CB 0.437 41.182 40.800 -0.093 0.000 1.200 145 D HN 0.669 nan 8.370 nan 0.000 0.429 146 E N 1.695 121.905 120.200 0.018 0.000 2.297 146 E HA -0.266 4.097 4.350 0.021 0.000 0.228 146 E C 1.074 177.550 176.600 -0.206 0.000 1.213 146 E CA -0.010 56.378 56.400 -0.020 0.000 0.712 146 E CB -1.265 28.381 29.700 -0.090 0.000 1.202 146 E HN 0.583 nan 8.360 nan 0.000 0.376 147 I N 1.053 121.595 120.570 -0.048 0.000 2.657 147 I HA -0.284 3.898 4.170 0.021 0.000 0.261 147 I C 2.496 178.568 176.117 -0.076 0.000 1.212 147 I CA 1.759 63.019 61.300 -0.066 0.000 1.453 147 I CB -0.167 37.814 38.000 -0.031 0.000 1.092 147 I HN 0.416 nan 8.210 nan 0.000 0.452 148 H N 0.322 119.377 119.070 -0.026 0.000 2.545 148 H HA -0.105 4.463 4.556 0.020 0.000 0.282 148 H C 1.858 177.182 175.328 -0.005 0.000 1.020 148 H CA 0.658 56.692 56.048 -0.024 0.000 1.243 148 H CB -0.858 28.894 29.762 -0.016 0.000 1.377 148 H HN 0.408 nan 8.280 nan 0.000 0.581 149 L N 0.864 121.820 121.223 -0.445 0.000 2.633 149 L HA -0.022 4.330 4.340 0.021 0.000 0.235 149 L C 2.534 179.358 176.870 -0.076 0.000 1.163 149 L CA 0.222 54.919 54.840 -0.238 0.000 0.859 149 L CB -0.336 41.578 42.059 -0.242 0.000 0.973 149 L HN 0.257 nan 8.230 nan 0.000 0.451 150 I N 0.152 120.690 120.570 -0.053 0.000 2.567 150 I HA -0.188 3.995 4.170 0.021 0.000 0.257 150 I C 1.950 178.096 176.117 0.048 0.000 1.184 150 I CA 1.139 62.440 61.300 0.001 0.000 1.451 150 I CB -0.005 37.980 38.000 -0.026 0.000 1.089 150 I HN 0.268 nan 8.210 nan 0.000 0.441 151 G N -0.121 108.712 108.800 0.056 0.000 3.088 151 G HA2 0.011 3.983 3.960 0.021 0.000 0.212 151 G HA3 0.011 3.983 3.960 0.021 0.000 0.212 151 G C 0.456 175.409 174.900 0.089 0.000 1.173 151 G CA -0.147 45.015 45.100 0.104 0.000 0.779 151 G HN 0.322 nan 8.290 nan 0.000 0.540 152 S N 0.599 116.331 115.700 0.053 0.000 2.499 152 S HA 0.253 4.736 4.470 0.021 0.000 0.275 152 S C 1.317 175.945 174.600 0.047 0.000 1.257 152 S CA -0.690 57.536 58.200 0.044 0.000 1.050 152 S CB 1.394 64.606 63.200 0.020 0.000 0.937 152 S HN 0.388 nan 8.310 nan 0.000 0.490 153 R N 2.912 123.438 120.500 0.044 0.000 2.105 153 R HA -0.138 4.214 4.340 0.021 0.000 0.239 153 R C 1.482 177.797 176.300 0.025 0.000 1.135 153 R CA 1.893 58.014 56.100 0.034 0.000 0.967 153 R CB -0.894 29.419 30.300 0.022 0.000 0.861 153 R HN 0.738 nan 8.270 nan 0.000 0.442 154 D N 0.995 121.410 120.400 0.025 0.000 2.087 154 D HA -0.166 4.487 4.640 0.021 0.000 0.210 154 D C 1.278 177.597 176.300 0.033 0.000 0.973 154 D CA 1.037 55.052 54.000 0.025 0.000 0.882 154 D CB -0.341 40.477 40.800 0.029 0.000 1.019 154 D HN 0.135 nan 8.370 nan 0.000 0.450 155 R N -0.037 120.486 120.500 0.039 0.000 2.362 155 R HA 0.256 4.609 4.340 0.021 0.000 0.227 155 R C 2.042 178.371 176.300 0.048 0.000 0.905 155 R CA 0.326 56.456 56.100 0.050 0.000 1.067 155 R CB 0.409 30.744 30.300 0.058 0.000 1.078 155 R HN 0.347 nan 8.270 nan 0.000 0.516 156 G N 0.758 109.582 108.800 0.040 0.000 2.450 156 G HA2 -0.307 3.666 3.960 0.021 0.000 0.220 156 G HA3 -0.307 3.666 3.960 0.021 0.000 0.220 156 G C 1.485 176.420 174.900 0.059 0.000 1.130 156 G CA 0.901 46.026 45.100 0.042 0.000 0.760 156 G HN 0.393 nan 8.290 nan 0.000 0.557 157 A N 0.324 123.179 122.820 0.057 0.000 1.933 157 A HA 0.001 4.334 4.320 0.021 0.000 0.218 157 A C 2.536 180.170 177.584 0.084 0.000 1.175 157 A CA 2.352 54.425 52.037 0.059 0.000 0.628 157 A CB -0.829 18.190 19.000 0.031 0.000 0.814 157 A HN 0.297 nan 8.150 nan 0.000 0.444 158 T N 0.164 114.774 114.554 0.093 0.000 2.708 158 T HA -0.156 4.206 4.350 0.021 0.000 0.266 158 T C 1.833 176.624 174.700 0.151 0.000 1.037 158 T CA 1.559 63.740 62.100 0.135 0.000 1.146 158 T CB -0.411 68.546 68.868 0.148 0.000 0.865 158 T HN 0.287 nan 8.240 nan 0.000 0.435 159 L N 1.244 122.536 121.223 0.115 0.000 2.042 159 L HA -0.068 4.284 4.340 0.021 0.000 0.210 159 L C 2.505 179.462 176.870 0.146 0.000 1.076 159 L CA 1.885 56.790 54.840 0.107 0.000 0.749 159 L CB -0.590 41.501 42.059 0.054 0.000 0.893 159 L HN 0.299 nan 8.230 nan 0.000 0.432 160 E N -1.145 119.140 120.200 0.141 0.000 2.077 160 E HA -0.199 4.163 4.350 0.021 0.000 0.193 160 E C 2.098 178.827 176.600 0.214 0.000 0.989 160 E CA 1.654 58.165 56.400 0.186 0.000 0.800 160 E CB -0.016 29.742 29.700 0.096 0.000 0.746 160 E HN 0.386 nan 8.360 nan 0.000 0.452 161 V N 2.479 122.506 119.914 0.188 0.000 2.233 161 V HA -0.301 3.831 4.120 0.021 0.000 0.247 161 V C 2.556 178.843 176.094 0.322 0.000 1.050 161 V CA 2.118 64.560 62.300 0.236 0.000 1.010 161 V CB -0.781 31.184 31.823 0.236 0.000 0.637 161 V HN 0.516 nan 8.190 nan 0.000 0.444 162 I N -1.598 119.183 120.570 0.352 0.000 2.286 162 I HA -0.231 3.951 4.170 0.021 0.000 0.248 162 I C 2.334 178.644 176.117 0.321 0.000 1.115 162 I CA 1.842 63.398 61.300 0.426 0.000 1.392 162 I CB -0.559 37.714 38.000 0.454 0.000 1.065 162 I HN 0.211 nan 8.210 nan 0.000 0.418 163 L N 1.403 122.756 121.223 0.216 0.000 2.131 163 L HA -0.126 4.226 4.340 0.021 0.000 0.210 163 L C 3.053 179.965 176.870 0.070 0.000 1.092 163 L CA 1.305 56.210 54.840 0.109 0.000 0.759 163 L CB -0.613 41.512 42.059 0.110 0.000 0.903 163 L HN 0.401 nan 8.230 nan 0.000 0.435 164 A N -1.319 121.581 122.820 0.134 0.000 1.968 164 A HA -0.191 4.141 4.320 0.021 0.000 0.217 164 A C 2.046 179.622 177.584 -0.013 0.000 1.169 164 A CA 1.066 53.094 52.037 -0.015 0.000 0.638 164 A CB -0.570 18.268 19.000 -0.270 0.000 0.812 164 A HN 0.401 nan 8.150 nan 0.000 0.446 165 H N -1.282 117.900 119.070 0.187 0.000 2.436 165 H HA 0.060 4.629 4.556 0.021 0.000 0.294 165 H C 1.704 177.112 175.328 0.134 0.000 1.048 165 H CA 1.483 57.654 56.048 0.204 0.000 1.353 165 H CB 0.002 29.856 29.762 0.153 0.000 1.414 165 H HN 0.357 nan 8.280 nan 0.000 0.536 166 M N 0.380 120.120 119.600 0.233 0.000 2.501 166 M HA 0.071 4.563 4.480 0.021 0.000 0.261 166 M C 0.807 177.127 176.300 0.033 0.000 1.129 166 M CA 0.105 55.490 55.300 0.141 0.000 1.126 166 M CB -0.312 32.375 32.600 0.145 0.000 1.359 166 M HN 0.022 nan 8.290 nan 0.000 0.471 167 L N 0.923 122.122 121.223 -0.040 0.000 2.578 167 L HA 0.045 4.397 4.340 0.021 0.000 0.279 167 L C 1.418 178.247 176.870 -0.067 0.000 1.227 167 L CA 0.755 55.518 54.840 -0.129 0.000 0.900 167 L CB -0.082 41.826 42.059 -0.251 0.000 1.144 167 L HN 0.697 nan 8.230 nan 0.000 0.496 168 G N 2.497 111.253 108.800 -0.074 0.000 2.168 168 G HA2 -0.315 3.657 3.960 0.021 0.000 0.263 168 G HA3 -0.315 3.657 3.960 0.021 0.000 0.263 168 G C 0.869 175.766 174.900 -0.005 0.000 0.977 168 G CA 0.668 45.745 45.100 -0.039 0.000 0.659 168 G HN 0.722 nan 8.290 nan 0.000 0.533 169 K N -0.615 119.790 120.400 0.007 0.000 2.450 169 K HA 0.628 4.961 4.320 0.021 0.000 0.206 169 K C 0.593 177.210 176.600 0.028 0.000 1.148 169 K CA 0.708 57.015 56.287 0.032 0.000 1.014 169 K CB 1.277 33.816 32.500 0.065 0.000 0.966 169 K HN 0.958 nan 8.250 nan 0.000 0.566 170 A N 1.007 123.832 122.820 0.008 0.000 2.597 170 A HA 0.239 4.571 4.320 0.021 0.000 0.292 170 A C -1.676 175.892 177.584 -0.028 0.000 1.057 170 A CA -0.687 51.352 52.037 0.003 0.000 0.674 170 A CB 1.124 20.140 19.000 0.027 0.000 1.278 170 A HN 0.081 nan 8.150 nan 0.000 0.416 171 Q N 0.833 120.614 119.800 -0.030 0.000 2.311 171 Q HA 0.354 4.707 4.340 0.021 0.000 0.272 171 Q C -0.940 175.020 176.000 -0.067 0.000 1.012 171 Q CA 0.261 56.034 55.803 -0.049 0.000 0.891 171 Q CB 0.274 28.989 28.738 -0.038 0.000 1.201 171 Q HN 0.543 nan 8.270 nan 0.000 0.391 172 I N 6.032 126.545 120.570 -0.095 0.000 2.406 172 I HA 0.379 4.561 4.170 0.021 0.000 0.290 172 I C -0.259 175.789 176.117 -0.114 0.000 0.999 172 I CA -0.562 60.667 61.300 -0.119 0.000 1.124 172 I CB 1.385 39.283 38.000 -0.169 0.000 1.289 172 I HN 0.664 nan 8.210 nan 0.000 0.441 173 I N 5.066 125.573 120.570 -0.105 0.000 2.439 173 I HA 0.400 4.583 4.170 0.021 0.000 0.285 173 I C 0.433 176.494 176.117 -0.093 0.000 1.021 173 I CA -0.450 60.797 61.300 -0.088 0.000 1.091 173 I CB 2.159 40.122 38.000 -0.062 0.000 1.242 173 I HN 0.617 nan 8.210 nan 0.000 0.439 174 G N 7.247 115.997 108.800 -0.084 0.000 2.332 174 G HA2 0.686 4.658 3.960 0.021 0.000 0.310 174 G HA3 0.686 4.658 3.960 0.021 0.000 0.310 174 G C -0.801 174.081 174.900 -0.030 0.000 1.123 174 G CA -0.446 44.613 45.100 -0.069 0.000 0.873 174 G HN 0.452 nan 8.290 nan 0.000 0.460 175 L N 2.670 123.886 121.223 -0.013 0.000 2.319 175 L HA 0.575 4.928 4.340 0.021 0.000 0.281 175 L C 0.324 177.247 176.870 0.088 0.000 1.005 175 L CA -0.598 54.264 54.840 0.036 0.000 0.828 175 L CB 1.615 43.706 42.059 0.055 0.000 1.227 175 L HN 0.694 nan 8.230 nan 0.000 0.415 176 S N 2.269 118.027 115.700 0.096 0.000 2.697 176 S HA 0.893 5.375 4.470 0.021 0.000 0.289 176 S C -0.425 174.176 174.600 0.002 0.000 1.149 176 S CA -0.579 57.722 58.200 0.167 0.000 0.850 176 S CB 2.035 65.334 63.200 0.166 0.000 1.151 176 S HN 0.586 nan 8.310 nan 0.000 0.491 177 A N 0.873 123.538 122.820 -0.258 0.000 2.240 177 A HA 0.713 5.045 4.320 0.021 0.000 0.292 177 A C 0.406 177.879 177.584 -0.185 0.000 1.121 177 A CA -0.572 51.286 52.037 -0.298 0.000 0.851 177 A CB -0.487 18.175 19.000 -0.564 0.000 1.167 177 A HN 0.903 nan 8.150 nan 0.000 0.503 178 T N 1.120 115.615 114.554 -0.098 0.000 2.916 178 T HA 0.436 4.798 4.350 0.021 0.000 0.303 178 T C 0.285 174.958 174.700 -0.046 0.000 1.025 178 T CA 0.825 62.905 62.100 -0.033 0.000 1.142 178 T CB -0.441 68.445 68.868 0.030 0.000 0.947 178 T HN 0.660 nan 8.240 nan 0.000 0.544 179 I N -1.394 119.160 120.570 -0.027 0.000 3.174 179 I HA 0.778 4.960 4.170 0.021 0.000 0.313 179 I C 1.050 177.160 176.117 -0.012 0.000 1.155 179 I CA -1.386 59.899 61.300 -0.025 0.000 0.977 179 I CB 1.670 39.660 38.000 -0.017 0.000 1.248 179 I HN 0.591 nan 8.210 nan 0.000 0.453 180 G N 1.714 110.500 108.800 -0.022 0.000 2.511 180 G HA2 -0.101 3.871 3.960 0.021 0.000 0.217 180 G HA3 -0.101 3.871 3.960 0.021 0.000 0.217 180 G C 0.462 175.351 174.900 -0.019 0.000 1.133 180 G CA 0.376 45.464 45.100 -0.020 0.000 0.792 180 G HN 0.788 nan 8.290 nan 0.000 0.539 181 N N 0.301 118.990 118.700 -0.018 0.000 2.818 181 N HA 0.253 5.006 4.740 0.021 0.000 0.301 181 N C -2.465 173.066 175.510 0.036 0.000 1.821 181 N CA -1.576 51.478 53.050 0.007 0.000 0.930 181 N CB 1.629 40.112 38.487 -0.007 0.000 1.263 181 N HN -0.032 nan 8.380 nan 0.000 0.487 182 P HA -0.157 nan 4.420 nan 0.000 0.214 182 P C 1.498 178.820 177.300 0.036 0.000 1.162 182 P CA 1.557 64.669 63.100 0.021 0.000 0.879 182 P CB 0.304 32.012 31.700 0.014 0.000 0.786 183 E N 0.594 120.822 120.200 0.046 0.000 2.153 183 E HA -0.237 4.125 4.350 0.021 0.000 0.194 183 E C 1.992 178.658 176.600 0.110 0.000 0.988 183 E CA 1.271 57.707 56.400 0.061 0.000 0.811 183 E CB -1.083 28.651 29.700 0.056 0.000 0.746 183 E HN 0.405 nan 8.360 nan 0.000 0.466 184 E N 0.585 120.877 120.200 0.153 0.000 2.051 184 E HA -0.163 4.199 4.350 0.021 0.000 0.192 184 E C 2.186 178.990 176.600 0.340 0.000 0.991 184 E CA 0.777 57.350 56.400 0.288 0.000 0.799 184 E CB -0.045 29.824 29.700 0.283 0.000 0.748 184 E HN 0.204 nan 8.360 nan 0.000 0.449 185 L N 0.588 121.932 121.223 0.201 0.000 2.093 185 L HA -0.033 4.319 4.340 0.021 0.000 0.208 185 L C 2.188 179.069 176.870 0.018 0.000 1.085 185 L CA 1.969 56.813 54.840 0.007 0.000 0.755 185 L CB -0.527 41.432 42.059 -0.166 0.000 0.904 185 L HN 0.183 nan 8.230 nan 0.000 0.435 186 A N -0.926 121.898 122.820 0.008 0.000 1.898 186 A HA -0.206 4.126 4.320 0.021 0.000 0.216 186 A C 2.192 179.739 177.584 -0.061 0.000 1.181 186 A CA 1.694 53.710 52.037 -0.036 0.000 0.620 186 A CB -0.561 18.429 19.000 -0.018 0.000 0.819 186 A HN 0.560 nan 8.150 nan 0.000 0.442 187 E N -1.571 118.617 120.200 -0.020 0.000 2.051 187 E HA -0.241 4.121 4.350 0.021 0.000 0.192 187 E C 1.732 178.163 176.600 -0.280 0.000 0.991 187 E CA 1.367 57.727 56.400 -0.067 0.000 0.799 187 E CB -0.277 29.474 29.700 0.085 0.000 0.748 187 E HN 0.859 nan 8.360 nan 0.000 0.449 188 W N 1.265 122.181 121.300 -0.639 0.000 2.350 188 W HA -0.140 4.533 4.660 0.022 0.000 0.289 188 W C 1.307 177.621 176.519 -0.341 0.000 1.215 188 W CA 1.191 58.081 57.345 -0.757 0.000 1.236 188 W CB -0.136 29.098 29.460 -0.376 0.000 1.130 188 W HN -0.022 nan 8.180 nan 0.000 0.541 189 L N 1.329 122.266 121.223 -0.476 0.000 2.591 189 L HA 0.004 4.356 4.340 0.021 0.000 0.228 189 L C 1.420 178.078 176.870 -0.353 0.000 1.133 189 L CA 0.786 55.285 54.840 -0.568 0.000 0.880 189 L CB -1.031 40.796 42.059 -0.388 0.000 1.033 189 L HN 0.175 nan 8.230 nan 0.000 0.450 190 N N 0.541 119.087 118.700 -0.258 0.000 2.727 190 N HA -0.189 4.563 4.740 0.021 0.000 0.249 190 N C -0.190 175.241 175.510 -0.132 0.000 1.048 190 N CA 0.209 53.163 53.050 -0.160 0.000 0.714 190 N CB -0.205 38.189 38.487 -0.156 0.000 0.959 190 N HN 0.389 nan 8.380 nan 0.000 0.544 191 A N 0.383 123.128 122.820 -0.125 0.000 2.350 191 A HA 0.601 4.934 4.320 0.021 0.000 0.318 191 A C -0.191 177.353 177.584 -0.066 0.000 1.132 191 A CA -0.628 51.349 52.037 -0.100 0.000 0.811 191 A CB 1.112 20.041 19.000 -0.118 0.000 1.313 191 A HN 0.334 nan 8.150 nan 0.000 0.454 192 E N 0.225 120.390 120.200 -0.058 0.000 2.338 192 E HA 0.278 4.641 4.350 0.021 0.000 0.272 192 E C -1.169 175.408 176.600 -0.039 0.000 1.029 192 E CA -0.237 56.137 56.400 -0.043 0.000 0.872 192 E CB 1.454 31.127 29.700 -0.044 0.000 1.015 192 E HN 0.438 nan 8.360 nan 0.000 0.417 193 L N 4.154 125.362 121.223 -0.026 0.000 2.287 193 L HA 0.359 4.712 4.340 0.021 0.000 0.287 193 L C -1.130 175.732 176.870 -0.013 0.000 1.022 193 L CA -0.447 54.383 54.840 -0.018 0.000 0.814 193 L CB 0.767 42.821 42.059 -0.007 0.000 1.217 193 L HN 0.304 nan 8.230 nan 0.000 0.420 194 I N 6.479 127.042 120.570 -0.012 0.000 2.437 194 I HA 0.382 4.564 4.170 0.021 0.000 0.279 194 I C -0.668 175.452 176.117 0.006 0.000 1.028 194 I CA -0.247 61.049 61.300 -0.007 0.000 1.142 194 I CB 1.676 39.667 38.000 -0.014 0.000 1.266 194 I HN 0.232 nan 8.210 nan 0.000 0.461 195 V N 4.909 124.831 119.914 0.012 0.000 2.417 195 V HA 0.815 4.947 4.120 0.021 0.000 0.291 195 V C -0.056 176.058 176.094 0.033 0.000 1.024 195 V CA -0.324 61.989 62.300 0.020 0.000 0.861 195 V CB 1.631 33.465 31.823 0.018 0.000 0.985 195 V HN 0.740 nan 8.190 nan 0.000 0.436 196 S N 2.472 118.200 115.700 0.045 0.000 2.547 196 S HA 0.457 4.939 4.470 0.021 0.000 0.270 196 S C -0.716 173.932 174.600 0.079 0.000 1.150 196 S CA -0.308 57.936 58.200 0.074 0.000 0.850 196 S CB 2.184 65.442 63.200 0.097 0.000 1.118 196 S HN 0.891 nan 8.310 nan 0.000 0.461 197 D N 1.056 121.511 120.400 0.092 0.000 2.513 197 D HA 0.061 4.713 4.640 0.021 0.000 0.222 197 D C 0.070 176.415 176.300 0.074 0.000 1.210 197 D CA -0.353 53.678 54.000 0.052 0.000 0.825 197 D CB -0.441 40.360 40.800 0.003 0.000 1.037 197 D HN 0.517 nan 8.370 nan 0.000 0.506 198 W N 3.268 124.550 121.300 -0.031 0.000 2.223 198 W HA 0.207 4.879 4.660 0.021 0.000 0.334 198 W C 0.337 176.806 176.519 -0.083 0.000 1.334 198 W CA -0.009 57.310 57.345 -0.042 0.000 1.246 198 W CB 0.617 30.066 29.460 -0.019 0.000 1.184 198 W HN -0.050 nan 8.180 nan 0.000 0.563 199 R N 6.142 126.212 120.500 -0.716 0.000 2.774 199 R HA 0.448 4.800 4.340 0.021 0.000 0.272 199 R C -2.248 173.255 176.300 -1.328 0.000 1.000 199 R CA -1.584 54.129 56.100 -0.645 0.000 0.906 199 R CB 1.601 31.695 30.300 -0.343 0.000 1.227 199 R HN 0.206 nan 8.270 nan 0.000 0.468 200 P HA -0.136 nan 4.420 nan 0.000 0.213 200 P C 0.755 177.805 177.300 -0.416 0.000 1.170 200 P CA 1.155 63.878 63.100 -0.629 0.000 0.898 200 P CB -0.048 31.443 31.700 -0.348 0.000 0.787 201 V N -3.857 115.892 119.914 -0.275 0.000 2.439 201 V HA 0.716 4.849 4.120 0.021 0.000 0.282 201 V C 0.280 176.252 176.094 -0.205 0.000 1.039 201 V CA -1.331 60.865 62.300 -0.174 0.000 0.913 201 V CB 0.034 31.820 31.823 -0.062 0.000 0.983 201 V HN 0.191 nan 8.190 nan 0.000 0.460 202 K N 3.983 124.275 120.400 -0.181 0.000 2.527 202 K HA 0.428 4.760 4.320 0.021 0.000 0.278 202 K C -0.611 175.912 176.600 -0.128 0.000 0.981 202 K CA 0.408 56.593 56.287 -0.170 0.000 1.009 202 K CB 0.236 32.657 32.500 -0.132 0.000 0.895 202 K HN 1.383 nan 8.250 nan 0.000 0.493 203 L N 1.826 122.972 121.223 -0.129 0.000 2.319 203 L HA 0.491 4.843 4.340 0.021 0.000 0.281 203 L C 0.005 176.823 176.870 -0.088 0.000 1.005 203 L CA -0.587 54.193 54.840 -0.099 0.000 0.828 203 L CB 1.846 43.846 42.059 -0.098 0.000 1.227 203 L HN 0.765 nan 8.230 nan 0.000 0.415 204 R N 4.327 124.767 120.500 -0.100 0.000 2.265 204 R HA 0.576 4.929 4.340 0.021 0.000 0.328 204 R C -0.867 175.505 176.300 0.121 0.000 0.969 204 R CA -0.669 55.377 56.100 -0.091 0.000 0.832 204 R CB 0.677 30.738 30.300 -0.399 0.000 1.139 204 R HN 0.679 nan 8.270 nan 0.000 0.457 205 R N 1.701 122.321 120.500 0.201 0.000 2.393 205 R HA 0.577 4.929 4.340 0.021 0.000 0.310 205 R C -0.152 176.353 176.300 0.342 0.000 0.968 205 R CA -0.418 55.816 56.100 0.224 0.000 0.867 205 R CB 2.138 32.448 30.300 0.018 0.000 1.124 205 R HN 0.731 nan 8.270 nan 0.000 0.450 206 G N 0.345 109.259 108.800 0.190 0.000 2.866 206 G HA2 0.595 4.567 3.960 0.021 0.000 0.289 206 G HA3 0.595 4.567 3.960 0.021 0.000 0.289 206 G C -1.556 173.241 174.900 -0.171 0.000 1.396 206 G CA -0.590 44.435 45.100 -0.124 0.000 0.848 206 G HN 0.329 nan 8.290 nan 0.000 0.515 207 V N 0.359 120.161 119.914 -0.187 0.000 2.531 207 V HA 0.470 4.602 4.120 0.021 0.000 0.301 207 V C -1.202 174.884 176.094 -0.012 0.000 1.034 207 V CA -0.647 61.617 62.300 -0.061 0.000 0.865 207 V CB 1.558 33.372 31.823 -0.014 0.000 0.995 207 V HN 0.673 nan 8.190 nan 0.000 0.424 208 F N 6.000 125.912 119.950 -0.064 0.000 2.411 208 F HA 0.644 5.184 4.527 0.021 0.000 0.355 208 F C -0.976 174.929 175.800 0.175 0.000 1.117 208 F CA -0.361 57.648 58.000 0.014 0.000 1.139 208 F CB 0.636 39.629 39.000 -0.012 0.000 1.120 208 F HN 0.553 nan 8.300 nan 0.000 0.493 209 Y N 6.103 126.066 120.300 -0.562 0.000 2.315 209 Y HA 0.248 4.810 4.550 0.020 0.000 0.324 209 Y C -0.783 174.883 175.900 -0.390 0.000 1.062 209 Y CA -1.086 56.812 58.100 -0.336 0.000 1.159 209 Y CB 0.800 39.195 38.460 -0.108 0.000 1.145 209 Y HN 0.742 nan 8.280 nan 0.000 0.442 210 Q N 4.735 124.061 119.800 -0.789 0.000 2.434 210 Q HA -0.233 4.119 4.340 0.021 0.000 0.366 210 Q C 1.051 176.843 176.000 -0.347 0.000 1.398 210 Q CA 1.321 56.799 55.803 -0.541 0.000 1.074 210 Q CB -1.467 26.884 28.738 -0.645 0.000 1.236 210 Q HN 1.446 nan 8.270 nan 0.000 0.329 211 G N -0.412 108.100 108.800 -0.480 0.000 2.179 211 G HA2 -0.317 3.655 3.960 0.021 0.000 0.260 211 G HA3 -0.317 3.655 3.960 0.021 0.000 0.260 211 G C -0.229 174.134 174.900 -0.894 0.000 0.977 211 G CA 0.440 45.240 45.100 -0.500 0.000 0.641 211 G HN 0.455 nan 8.290 nan 0.000 0.533 212 F N -1.156 118.560 119.950 -0.390 0.000 2.613 212 F HA 0.660 5.199 4.527 0.020 0.000 0.310 212 F C -0.067 175.618 175.800 -0.191 0.000 1.085 212 F CA -1.123 56.790 58.000 -0.145 0.000 0.945 212 F CB 2.226 41.181 39.000 -0.076 0.000 1.298 212 F HN 0.005 nan 8.300 nan 0.000 0.455 213 V N 1.486 121.503 119.914 0.172 0.000 2.384 213 V HA 0.481 4.613 4.120 0.021 0.000 0.287 213 V C -0.475 175.462 176.094 -0.262 0.000 1.020 213 V CA -0.511 61.714 62.300 -0.126 0.000 0.850 213 V CB 1.731 33.371 31.823 -0.304 0.000 0.987 213 V HN 0.801 nan 8.190 nan 0.000 0.436 214 T N 4.885 119.279 114.554 -0.266 0.000 2.756 214 T HA 0.403 4.765 4.350 0.021 0.000 0.290 214 T C -0.447 174.122 174.700 -0.218 0.000 0.985 214 T CA -0.208 61.802 62.100 -0.151 0.000 0.955 214 T CB 0.397 69.249 68.868 -0.027 0.000 0.930 214 T HN 0.557 nan 8.240 nan 0.000 0.451 215 W N 1.787 123.159 121.300 0.120 0.000 2.253 215 W HA 0.294 4.966 4.660 0.020 0.000 0.348 215 W C 1.849 178.428 176.519 0.100 0.000 1.229 215 W CA -0.962 56.440 57.345 0.094 0.000 1.335 215 W CB 0.599 30.114 29.460 0.092 0.000 1.165 215 W HN 0.757 nan 8.180 nan 0.000 0.631 216 E N -0.204 120.212 120.200 0.360 0.000 2.204 216 E HA -0.272 4.090 4.350 0.021 0.000 0.195 216 E C 0.917 177.702 176.600 0.309 0.000 0.990 216 E CA 1.903 58.490 56.400 0.312 0.000 0.821 216 E CB -0.463 29.372 29.700 0.226 0.000 0.750 216 E HN 0.708 nan 8.360 nan 0.000 0.477 217 D N -0.137 120.421 120.400 0.263 0.000 2.269 217 D HA 0.023 4.675 4.640 0.021 0.000 0.208 217 D C 1.523 177.924 176.300 0.169 0.000 0.963 217 D CA 1.177 55.287 54.000 0.184 0.000 0.864 217 D CB 0.234 41.114 40.800 0.132 0.000 0.936 217 D HN 0.379 nan 8.370 nan 0.000 0.505 218 G N -0.214 108.710 108.800 0.207 0.000 2.428 218 G HA2 -0.231 3.741 3.960 0.021 0.000 0.199 218 G HA3 -0.231 3.741 3.960 0.021 0.000 0.199 218 G C 0.512 175.510 174.900 0.164 0.000 1.005 218 G CA 0.019 45.213 45.100 0.156 0.000 0.671 218 G HN 0.686 nan 8.290 nan 0.000 0.485 219 S N 1.100 116.932 115.700 0.219 0.000 2.589 219 S HA 0.700 5.182 4.470 0.021 0.000 0.265 219 S C 0.143 174.915 174.600 0.286 0.000 1.342 219 S CA -0.186 58.155 58.200 0.235 0.000 1.005 219 S CB 1.573 64.923 63.200 0.250 0.000 0.909 219 S HN 0.471 nan 8.310 nan 0.000 0.555 220 I N 1.449 122.159 120.570 0.235 0.000 2.569 220 I HA 0.504 4.686 4.170 0.021 0.000 0.296 220 I C -0.769 175.534 176.117 0.310 0.000 1.028 220 I CA -0.478 60.955 61.300 0.221 0.000 1.082 220 I CB 1.923 39.984 38.000 0.101 0.000 1.264 220 I HN 0.715 nan 8.210 nan 0.000 0.429 221 D N 4.700 125.324 120.400 0.374 0.000 2.787 221 D HA 0.253 4.905 4.640 0.021 0.000 0.246 221 D C -0.289 176.194 176.300 0.305 0.000 1.150 221 D CA -0.516 53.698 54.000 0.355 0.000 0.864 221 D CB 2.652 43.755 40.800 0.504 0.000 1.481 221 D HN 0.375 nan 8.370 nan 0.000 0.509 222 R N 2.085 122.616 120.500 0.052 0.000 2.490 222 R HA 0.427 4.779 4.340 0.021 0.000 0.280 222 R C -1.295 174.728 176.300 -0.460 0.000 1.077 222 R CA 0.146 56.060 56.100 -0.310 0.000 1.065 222 R CB 0.381 30.517 30.300 -0.274 0.000 1.003 222 R HN 0.305 nan 8.270 nan 0.000 0.470 223 F N 1.815 121.656 119.950 -0.181 0.000 2.689 223 F HA 0.090 4.629 4.527 0.021 0.000 0.332 223 F C 1.091 176.909 175.800 0.030 0.000 1.209 223 F CA -0.569 57.450 58.000 0.033 0.000 1.028 223 F CB 2.260 41.398 39.000 0.229 0.000 1.291 223 F HN 0.715 nan 8.300 nan 0.000 0.500 224 S N 0.483 116.258 115.700 0.126 0.000 2.419 224 S HA -0.053 4.429 4.470 0.021 0.000 0.235 224 S C 0.551 175.246 174.600 0.158 0.000 1.019 224 S CA 0.985 59.229 58.200 0.073 0.000 0.982 224 S CB -0.356 62.866 63.200 0.037 0.000 0.789 224 S HN 0.687 nan 8.310 nan 0.000 0.490 225 S N -0.519 115.297 115.700 0.193 0.000 2.552 225 S HA 0.392 4.874 4.470 0.021 0.000 0.272 225 S C 0.325 174.710 174.600 -0.358 0.000 1.150 225 S CA -0.559 57.681 58.200 0.067 0.000 0.849 225 S CB -0.044 63.090 63.200 -0.112 0.000 1.113 225 S HN 0.529 nan 8.310 nan 0.000 0.458 226 W N 2.558 123.322 121.300 -0.894 0.000 2.342 226 W HA -0.120 4.552 4.660 0.020 0.000 0.297 226 W C 1.110 177.223 176.519 -0.677 0.000 1.213 226 W CA 1.944 58.505 57.345 -1.306 0.000 1.251 226 W CB -1.061 27.730 29.460 -1.115 0.000 1.136 226 W HN 0.934 nan 8.180 nan 0.000 0.526 227 E N 0.701 119.789 120.200 -1.852 0.000 2.265 227 E HA -0.232 4.130 4.350 0.021 0.000 0.196 227 E C 1.615 177.442 176.600 -1.288 0.000 0.996 227 E CA 1.099 56.366 56.400 -1.887 0.000 0.832 227 E CB -0.805 27.849 29.700 -1.743 0.000 0.756 227 E HN 0.286 nan 8.360 nan 0.000 0.491 228 E N 1.053 120.823 120.200 -0.717 0.000 2.265 228 E HA -0.071 4.292 4.350 0.021 0.000 0.196 228 E C 2.229 178.746 176.600 -0.138 0.000 0.996 228 E CA 0.332 56.590 56.400 -0.237 0.000 0.832 228 E CB -0.141 29.619 29.700 0.099 0.000 0.756 228 E HN 0.391 nan 8.360 nan 0.000 0.491 229 L N -0.361 120.652 121.223 -0.350 0.000 2.046 229 L HA -0.183 4.169 4.340 0.021 0.000 0.208 229 L C 2.504 179.283 176.870 -0.151 0.000 1.077 229 L CA 0.782 55.417 54.840 -0.341 0.000 0.747 229 L CB -0.541 41.251 42.059 -0.445 0.000 0.896 229 L HN -0.003 nan 8.230 nan 0.000 0.432 230 V N -0.766 118.988 119.914 -0.267 0.000 2.237 230 V HA -0.335 3.797 4.120 0.021 0.000 0.245 230 V C 2.225 178.331 176.094 0.020 0.000 1.046 230 V CA 1.923 64.133 62.300 -0.150 0.000 1.007 230 V CB -0.807 30.838 31.823 -0.298 0.000 0.638 230 V HN 0.326 nan 8.190 nan 0.000 0.445 231 Y N 0.455 120.736 120.300 -0.031 0.000 2.081 231 Y HA -0.359 4.203 4.550 0.020 0.000 0.280 231 Y C 2.664 178.602 175.900 0.063 0.000 1.163 231 Y CA 1.526 59.627 58.100 0.002 0.000 1.135 231 Y CB -0.465 37.980 38.460 -0.026 0.000 0.970 231 Y HN 0.356 nan 8.280 nan 0.000 0.498 232 D N 0.226 120.785 120.400 0.265 0.000 2.092 232 D HA -0.221 4.431 4.640 0.021 0.000 0.193 232 D C 2.180 178.627 176.300 0.246 0.000 0.994 232 D CA 1.614 55.774 54.000 0.267 0.000 0.828 232 D CB -0.328 40.705 40.800 0.389 0.000 0.963 232 D HN 0.252 nan 8.370 nan 0.000 0.450 233 A N 0.205 123.187 122.820 0.269 0.000 1.917 233 A HA -0.165 4.167 4.320 0.021 0.000 0.219 233 A C 2.548 180.249 177.584 0.195 0.000 1.182 233 A CA 1.627 53.862 52.037 0.331 0.000 0.633 233 A CB -0.892 18.326 19.000 0.362 0.000 0.819 233 A HN 0.439 nan 8.150 nan 0.000 0.448 234 I N -1.672 118.997 120.570 0.166 0.000 2.252 234 I HA -0.212 3.970 4.170 0.021 0.000 0.245 234 I C 2.728 178.890 176.117 0.075 0.000 1.102 234 I CA 1.497 62.864 61.300 0.112 0.000 1.385 234 I CB -0.314 37.762 38.000 0.126 0.000 1.064 234 I HN 0.263 nan 8.210 nan 0.000 0.414 235 R N 1.421 121.977 120.500 0.092 0.000 2.105 235 R HA -0.113 4.239 4.340 0.021 0.000 0.239 235 R C 1.424 177.747 176.300 0.039 0.000 1.135 235 R CA 1.154 57.290 56.100 0.060 0.000 0.967 235 R CB 0.005 30.349 30.300 0.074 0.000 0.861 235 R HN 0.236 nan 8.270 nan 0.000 0.442 236 K N 0.378 120.805 120.400 0.044 0.000 2.665 236 K HA 0.056 4.388 4.320 0.021 0.000 0.214 236 K C 0.769 177.341 176.600 -0.047 0.000 1.032 236 K CA 0.707 56.991 56.287 -0.006 0.000 1.198 236 K CB 0.396 32.883 32.500 -0.022 0.000 0.941 236 K HN 0.262 nan 8.250 nan 0.000 0.491 237 K N -0.103 120.283 120.400 -0.023 0.000 3.580 237 K HA -0.245 4.087 4.320 0.021 0.000 0.288 237 K C 0.585 177.140 176.600 -0.075 0.000 1.160 237 K CA 1.953 58.216 56.287 -0.041 0.000 1.053 237 K CB -1.561 30.919 32.500 -0.034 0.000 1.362 237 K HN 0.168 nan 8.250 nan 0.000 0.436 238 K N -0.336 120.013 120.400 -0.086 0.000 2.140 238 K HA 0.639 4.971 4.320 0.021 0.000 0.237 238 K C 1.172 177.783 176.600 0.017 0.000 1.045 238 K CA 0.122 56.358 56.287 -0.084 0.000 0.896 238 K CB 0.509 32.900 32.500 -0.182 0.000 1.122 238 K HN 0.690 nan 8.250 nan 0.000 0.503 239 G N -1.369 107.468 108.800 0.060 0.000 3.013 239 G HA2 0.705 4.678 3.960 0.021 0.000 0.278 239 G HA3 0.705 4.678 3.960 0.021 0.000 0.278 239 G C -1.520 173.526 174.900 0.244 0.000 1.353 239 G CA -0.568 44.587 45.100 0.092 0.000 1.043 239 G HN 0.572 nan 8.290 nan 0.000 0.523 240 A N -0.863 122.144 122.820 0.311 0.000 2.520 240 A HA 0.657 4.989 4.320 0.021 0.000 0.298 240 A C -1.857 175.829 177.584 0.170 0.000 1.051 240 A CA -0.503 51.670 52.037 0.227 0.000 0.690 240 A CB 2.024 21.100 19.000 0.127 0.000 1.281 240 A HN 1.393 nan 8.150 nan 0.000 0.402 241 L N 2.544 123.787 121.223 0.033 0.000 2.325 241 L HA 0.821 5.174 4.340 0.021 0.000 0.281 241 L C -1.587 175.146 176.870 -0.230 0.000 1.004 241 L CA -0.630 54.080 54.840 -0.217 0.000 0.823 241 L CB 0.880 42.803 42.059 -0.225 0.000 1.236 241 L HN 0.495 nan 8.230 nan 0.000 0.415 242 I N 5.950 126.330 120.570 -0.316 0.000 2.389 242 I HA 0.418 4.601 4.170 0.021 0.000 0.288 242 I C -0.684 175.214 176.117 -0.366 0.000 0.999 242 I CA -0.022 61.150 61.300 -0.214 0.000 1.129 242 I CB 1.272 39.255 38.000 -0.028 0.000 1.288 242 I HN 0.348 nan 8.210 nan 0.000 0.444 243 F N 5.315 125.199 119.950 -0.109 0.000 2.404 243 F HA 0.678 5.217 4.527 0.020 0.000 0.339 243 F C 0.408 176.135 175.800 -0.122 0.000 1.105 243 F CA -0.478 57.461 58.000 -0.101 0.000 1.087 243 F CB 1.422 40.359 39.000 -0.106 0.000 1.143 243 F HN 0.127 nan 8.300 nan 0.000 0.491 244 V N 2.322 122.292 119.914 0.093 0.000 3.158 244 V HA 0.295 4.428 4.120 0.021 0.000 0.311 244 V C 0.026 176.149 176.094 0.049 0.000 1.181 244 V CA -0.736 61.575 62.300 0.020 0.000 1.054 244 V CB 2.388 34.208 31.823 -0.005 0.000 1.085 244 V HN 0.836 nan 8.190 nan 0.000 0.446 245 N N 0.209 118.920 118.700 0.019 0.000 2.294 245 N HA 0.206 4.958 4.740 0.021 0.000 0.186 245 N C -0.271 175.245 175.510 0.010 0.000 1.107 245 N CA 0.171 53.235 53.050 0.024 0.000 0.884 245 N CB 0.390 38.892 38.487 0.025 0.000 1.030 245 N HN 0.390 nan 8.380 nan 0.000 0.482 246 M N 0.066 119.660 119.600 -0.010 0.000 2.572 246 M HA 0.455 4.947 4.480 0.021 0.000 0.299 246 M C 1.050 177.293 176.300 -0.095 0.000 1.205 246 M CA -0.771 54.499 55.300 -0.049 0.000 0.876 246 M CB 2.583 35.154 32.600 -0.049 0.000 1.728 246 M HN -0.161 nan 8.290 nan 0.000 0.458 247 R N 0.529 120.905 120.500 -0.206 0.000 2.082 247 R HA -0.073 4.279 4.340 0.021 0.000 0.234 247 R C 1.607 177.725 176.300 -0.304 0.000 1.136 247 R CA 1.791 57.627 56.100 -0.441 0.000 0.935 247 R CB -0.178 29.630 30.300 -0.820 0.000 0.842 247 R HN 0.567 nan 8.270 nan 0.000 0.430 248 R N 0.636 120.994 120.500 -0.236 0.000 2.127 248 R HA -0.157 4.195 4.340 0.021 0.000 0.238 248 R C 2.248 178.477 176.300 -0.120 0.000 1.134 248 R CA 1.352 57.347 56.100 -0.175 0.000 0.975 248 R CB -0.165 30.064 30.300 -0.118 0.000 0.865 248 R HN -0.004 nan 8.270 nan 0.000 0.447 249 K N 0.976 121.325 120.400 -0.084 0.000 2.026 249 K HA -0.075 4.257 4.320 0.021 0.000 0.208 249 K C 1.882 178.470 176.600 -0.021 0.000 1.048 249 K CA 1.707 57.971 56.287 -0.038 0.000 0.929 249 K CB -0.369 32.114 32.500 -0.028 0.000 0.713 249 K HN 0.131 nan 8.250 nan 0.000 0.439 250 A N 0.663 123.470 122.820 -0.021 0.000 1.940 250 A HA -0.192 4.140 4.320 0.021 0.000 0.219 250 A C 1.974 179.567 177.584 0.015 0.000 1.176 250 A CA 1.952 54.014 52.037 0.042 0.000 0.631 250 A CB -0.541 18.534 19.000 0.125 0.000 0.814 250 A HN 0.534 nan 8.150 nan 0.000 0.446 251 E N -0.785 119.303 120.200 -0.187 0.000 2.072 251 E HA -0.125 4.238 4.350 0.021 0.000 0.190 251 E C 2.373 178.940 176.600 -0.055 0.000 0.982 251 E CA 0.838 57.026 56.400 -0.354 0.000 0.803 251 E CB -0.108 29.236 29.700 -0.592 0.000 0.755 251 E HN 0.527 nan 8.360 nan 0.000 0.453 252 R N 0.266 120.748 120.500 -0.029 0.000 2.066 252 R HA -0.082 4.270 4.340 0.021 0.000 0.232 252 R C 2.399 178.747 176.300 0.080 0.000 1.131 252 R CA 1.107 57.223 56.100 0.027 0.000 0.955 252 R CB -0.247 30.065 30.300 0.021 0.000 0.851 252 R HN 0.054 nan 8.270 nan 0.000 0.432 253 V N 0.902 120.876 119.914 0.099 0.000 2.515 253 V HA -0.205 3.927 4.120 0.021 0.000 0.250 253 V C 2.345 178.538 176.094 0.165 0.000 1.058 253 V CA 1.850 64.246 62.300 0.160 0.000 1.064 253 V CB -0.572 31.364 31.823 0.189 0.000 0.675 253 V HN 0.397 nan 8.190 nan 0.000 0.461 254 A N 0.160 123.084 122.820 0.173 0.000 1.873 254 A HA -0.151 4.181 4.320 0.021 0.000 0.215 254 A C 2.143 179.830 177.584 0.171 0.000 1.186 254 A CA 1.897 54.053 52.037 0.198 0.000 0.616 254 A CB -0.564 18.633 19.000 0.328 0.000 0.823 254 A HN 0.448 nan 8.150 nan 0.000 0.442 255 L N 0.326 121.653 121.223 0.174 0.000 2.046 255 L HA -0.164 4.189 4.340 0.021 0.000 0.208 255 L C 2.244 179.176 176.870 0.103 0.000 1.077 255 L CA 2.750 57.670 54.840 0.134 0.000 0.747 255 L CB -0.707 41.425 42.059 0.121 0.000 0.896 255 L HN 0.601 nan 8.230 nan 0.000 0.432 256 E N -0.012 120.250 120.200 0.103 0.000 2.012 256 E HA -0.256 4.106 4.350 0.021 0.000 0.197 256 E C 2.230 178.892 176.600 0.104 0.000 1.007 256 E CA 2.197 58.651 56.400 0.091 0.000 0.816 256 E CB -0.466 29.292 29.700 0.095 0.000 0.762 256 E HN 0.606 nan 8.360 nan 0.000 0.451 257 L N 1.276 122.570 121.223 0.118 0.000 2.021 257 L HA -0.261 4.091 4.340 0.021 0.000 0.215 257 L C 2.971 179.942 176.870 0.168 0.000 1.074 257 L CA 1.896 56.838 54.840 0.170 0.000 0.760 257 L CB -0.669 41.456 42.059 0.111 0.000 0.889 257 L HN 0.285 nan 8.230 nan 0.000 0.433 258 S N -0.541 115.227 115.700 0.114 0.000 2.419 258 S HA -0.214 4.268 4.470 0.021 0.000 0.233 258 S C 1.886 176.511 174.600 0.042 0.000 1.016 258 S CA 1.059 59.306 58.200 0.078 0.000 0.974 258 S CB -0.308 62.935 63.200 0.072 0.000 0.786 258 S HN 0.396 nan 8.310 nan 0.000 0.492 259 K N 0.764 121.189 120.400 0.041 0.000 2.283 259 K HA 0.052 4.384 4.320 0.021 0.000 0.202 259 K C 2.182 178.756 176.600 -0.042 0.000 1.048 259 K CA 1.128 57.420 56.287 0.008 0.000 0.948 259 K CB -0.070 32.441 32.500 0.019 0.000 0.742 259 K HN 0.427 nan 8.250 nan 0.000 0.458 260 K N 0.230 120.581 120.400 -0.081 0.000 2.360 260 K HA 0.071 4.404 4.320 0.021 0.000 0.196 260 K C 1.419 177.840 176.600 -0.299 0.000 1.049 260 K CA 0.052 56.187 56.287 -0.254 0.000 1.049 260 K CB 0.782 32.987 32.500 -0.491 0.000 0.881 260 K HN -0.132 nan 8.250 nan 0.000 0.542 261 V N 1.281 121.120 119.914 -0.125 0.000 2.649 261 V HA -0.116 4.016 4.120 0.021 0.000 0.248 261 V C 2.088 178.157 176.094 -0.042 0.000 1.054 261 V CA 1.323 63.591 62.300 -0.053 0.000 1.073 261 V CB -0.168 31.698 31.823 0.071 0.000 0.699 261 V HN 0.278 nan 8.190 nan 0.000 0.463 262 K N 1.293 121.673 120.400 -0.033 0.000 2.127 262 K HA -0.214 4.119 4.320 0.021 0.000 0.208 262 K C 1.880 178.458 176.600 -0.036 0.000 1.047 262 K CA 1.815 58.088 56.287 -0.023 0.000 0.927 262 K CB -0.266 32.223 32.500 -0.017 0.000 0.716 262 K HN 0.607 nan 8.250 nan 0.000 0.450 263 S N -0.049 115.615 115.700 -0.061 0.000 2.851 263 S HA 0.044 4.526 4.470 0.021 0.000 0.227 263 S C 0.940 175.507 174.600 -0.055 0.000 0.958 263 S CA 0.086 58.250 58.200 -0.060 0.000 0.990 263 S CB -0.218 62.934 63.200 -0.079 0.000 0.790 263 S HN 0.333 nan 8.310 nan 0.000 0.509 264 L N -0.444 120.753 121.223 -0.042 0.000 3.360 264 L HA 0.436 4.789 4.340 0.021 0.000 0.303 264 L C -0.351 176.511 176.870 -0.013 0.000 1.218 264 L CA -0.101 54.723 54.840 -0.027 0.000 1.059 264 L CB 0.328 42.374 42.059 -0.022 0.000 1.468 264 L HN 0.265 nan 8.230 nan 0.000 0.614 265 L N 1.816 123.031 121.223 -0.013 0.000 2.259 265 L HA 0.292 4.645 4.340 0.021 0.000 0.288 265 L C 0.852 177.717 176.870 -0.009 0.000 1.051 265 L CA -0.387 54.448 54.840 -0.008 0.000 0.824 265 L CB 1.156 43.212 42.059 -0.005 0.000 1.206 265 L HN 0.157 nan 8.230 nan 0.000 0.429 266 T N -0.764 113.784 114.554 -0.009 0.000 2.785 266 T HA 0.016 4.378 4.350 0.021 0.000 0.341 266 T C 1.499 176.195 174.700 -0.008 0.000 1.093 266 T CA 0.339 62.434 62.100 -0.009 0.000 1.103 266 T CB 0.697 69.561 68.868 -0.008 0.000 1.011 266 T HN 0.712 nan 8.240 nan 0.000 0.549 267 K N 1.363 121.758 120.400 -0.007 0.000 2.044 267 K HA -0.061 4.272 4.320 0.021 0.000 0.210 267 K C -0.010 176.587 176.600 -0.006 0.000 1.049 267 K CA 2.032 58.315 56.287 -0.006 0.000 0.927 267 K CB -2.520 29.977 32.500 -0.005 0.000 0.713 267 K HN 0.764 nan 8.250 nan 0.000 0.443 268 P HA -0.203 nan 4.420 nan 0.000 0.212 268 P C 1.111 178.408 177.300 -0.006 0.000 1.178 268 P CA 1.597 64.694 63.100 -0.006 0.000 0.915 268 P CB -0.117 31.579 31.700 -0.006 0.000 0.788 269 E N -0.727 119.469 120.200 -0.008 0.000 2.171 269 E HA -0.170 4.192 4.350 0.021 0.000 0.197 269 E C 2.013 178.610 176.600 -0.005 0.000 0.997 269 E CA 0.985 57.381 56.400 -0.008 0.000 0.810 269 E CB -0.596 29.098 29.700 -0.009 0.000 0.738 269 E HN 0.322 nan 8.360 nan 0.000 0.467 270 I N 0.539 121.106 120.570 -0.004 0.000 2.406 270 I HA -0.163 4.019 4.170 0.021 0.000 0.249 270 I C 2.661 178.777 176.117 -0.003 0.000 1.122 270 I CA 0.399 61.697 61.300 -0.003 0.000 1.431 270 I CB -0.197 37.801 38.000 -0.004 0.000 1.087 270 I HN 0.005 nan 8.210 nan 0.000 0.424 271 R N 1.913 122.411 120.500 -0.003 0.000 2.073 271 R HA -0.113 4.240 4.340 0.021 0.000 0.234 271 R C 2.218 178.516 176.300 -0.003 0.000 1.134 271 R CA 2.058 58.157 56.100 -0.003 0.000 0.952 271 R CB -0.614 29.684 30.300 -0.003 0.000 0.850 271 R HN 0.338 nan 8.270 nan 0.000 0.433 272 A N 0.944 123.762 122.820 -0.004 0.000 1.898 272 A HA -0.074 4.258 4.320 0.021 0.000 0.216 272 A C 2.487 180.068 177.584 -0.003 0.000 1.181 272 A CA 1.148 53.183 52.037 -0.004 0.000 0.620 272 A CB -0.592 18.404 19.000 -0.006 0.000 0.819 272 A HN 0.339 nan 8.150 nan 0.000 0.442 273 L N -0.305 120.916 121.223 -0.003 0.000 2.265 273 L HA -0.197 4.155 4.340 0.021 0.000 0.215 273 L C 2.231 179.099 176.870 -0.003 0.000 1.117 273 L CA 1.234 56.073 54.840 -0.003 0.000 0.782 273 L CB -0.525 41.535 42.059 0.000 0.000 0.914 273 L HN 0.523 nan 8.230 nan 0.000 0.441 274 N N -0.538 118.160 118.700 -0.002 0.000 2.290 274 N HA -0.123 4.629 4.740 0.021 0.000 0.179 274 N C 1.527 177.036 175.510 -0.001 0.000 1.016 274 N CA 0.524 53.573 53.050 -0.001 0.000 0.871 274 N CB 0.151 38.639 38.487 0.000 0.000 0.987 274 N HN 0.376 nan 8.380 nan 0.000 0.431 275 E N 1.047 121.246 120.200 -0.002 0.000 2.204 275 E HA -0.123 4.239 4.350 0.021 0.000 0.195 275 E C 1.924 178.522 176.600 -0.003 0.000 0.990 275 E CA 0.440 56.839 56.400 -0.001 0.000 0.821 275 E CB 0.127 29.826 29.700 -0.001 0.000 0.750 275 E HN 0.347 nan 8.360 nan 0.000 0.477 276 L N 0.225 121.445 121.223 -0.005 0.000 2.068 276 L HA -0.086 4.266 4.340 0.021 0.000 0.204 276 L C 2.405 179.267 176.870 -0.012 0.000 1.076 276 L CA 0.966 55.801 54.840 -0.008 0.000 0.753 276 L CB -0.250 41.804 42.059 -0.009 0.000 0.910 276 L HN 0.128 nan 8.230 nan 0.000 0.439 277 A N -0.862 121.951 122.820 -0.012 0.000 1.969 277 A HA -0.223 4.109 4.320 0.021 0.000 0.218 277 A C 1.841 179.421 177.584 -0.005 0.000 1.169 277 A CA 1.674 53.703 52.037 -0.014 0.000 0.635 277 A CB -0.466 18.528 19.000 -0.010 0.000 0.810 277 A HN 0.443 nan 8.150 nan 0.000 0.445 278 D N -0.108 120.291 120.400 -0.001 0.000 2.312 278 D HA -0.090 4.563 4.640 0.021 0.000 0.211 278 D C 2.166 178.468 176.300 0.004 0.000 0.964 278 D CA 1.369 55.371 54.000 0.004 0.000 0.877 278 D CB 0.030 40.833 40.800 0.004 0.000 0.924 278 D HN 0.609 nan 8.370 nan 0.000 0.515 279 S N -0.035 115.666 115.700 0.001 0.000 2.489 279 S HA -0.014 4.468 4.470 0.021 0.000 0.228 279 S C 1.147 175.749 174.600 0.003 0.000 0.995 279 S CA -0.151 58.050 58.200 0.002 0.000 0.934 279 S CB -0.257 62.943 63.200 -0.001 0.000 0.771 279 S HN 0.104 nan 8.310 nan 0.000 0.522 280 L N 2.511 123.734 121.223 0.000 0.000 2.499 280 L HA 0.370 4.722 4.340 0.021 0.000 0.273 280 L C 1.140 178.021 176.870 0.019 0.000 1.195 280 L CA 0.032 54.873 54.840 0.003 0.000 0.882 280 L CB -0.224 41.831 42.059 -0.007 0.000 1.133 280 L HN 0.488 nan 8.230 nan 0.000 0.483 281 E N 3.645 123.862 120.200 0.029 0.000 2.458 281 E HA -0.039 4.323 4.350 0.021 0.000 0.264 281 E C 0.089 176.719 176.600 0.049 0.000 1.097 281 E CA -0.176 56.251 56.400 0.044 0.000 0.973 281 E CB 0.315 30.053 29.700 0.064 0.000 0.963 281 E HN 0.678 nan 8.360 nan 0.000 0.451 282 E N 1.339 121.571 120.200 0.053 0.000 2.167 282 E HA 0.372 4.735 4.350 0.021 0.000 0.284 282 E C -0.724 175.914 176.600 0.064 0.000 1.016 282 E CA -0.202 56.229 56.400 0.053 0.000 0.817 282 E CB 0.265 29.992 29.700 0.045 0.000 1.080 282 E HN 0.676 nan 8.360 nan 0.000 0.397 283 N N 3.010 121.748 118.700 0.064 0.000 3.171 283 N HA 0.185 4.938 4.740 0.021 0.000 0.239 283 N C -2.827 172.722 175.510 0.065 0.000 1.275 283 N CA -1.040 52.049 53.050 0.066 0.000 0.920 283 N CB 1.388 39.920 38.487 0.076 0.000 1.554 283 N HN 0.062 nan 8.380 nan 0.000 0.504 284 P HA -0.225 nan 4.420 nan 0.000 0.214 284 P C 0.918 178.270 177.300 0.087 0.000 1.172 284 P CA 2.802 65.938 63.100 0.060 0.000 0.925 284 P CB -0.155 31.571 31.700 0.044 0.000 0.793 285 T N -0.833 113.778 114.554 0.094 0.000 2.714 285 T HA -0.198 4.164 4.350 0.021 0.000 0.268 285 T C 1.506 176.322 174.700 0.194 0.000 1.036 285 T CA 1.904 64.094 62.100 0.149 0.000 1.148 285 T CB -0.928 68.021 68.868 0.134 0.000 0.856 285 T HN 0.151 nan 8.240 nan 0.000 0.462 286 N N 0.519 119.292 118.700 0.121 0.000 2.333 286 N HA 0.022 4.774 4.740 0.021 0.000 0.178 286 N C 1.885 177.443 175.510 0.080 0.000 1.018 286 N CA 0.494 53.593 53.050 0.082 0.000 0.882 286 N CB -0.235 38.282 38.487 0.050 0.000 0.984 286 N HN 0.481 nan 8.380 nan 0.000 0.434 287 E N 1.191 121.442 120.200 0.086 0.000 2.086 287 E HA -0.218 4.144 4.350 0.021 0.000 0.200 287 E C 1.548 178.208 176.600 0.100 0.000 1.012 287 E CA 1.271 57.717 56.400 0.075 0.000 0.812 287 E CB -0.042 29.699 29.700 0.068 0.000 0.743 287 E HN 0.454 nan 8.360 nan 0.000 0.453 288 K N 0.475 120.972 120.400 0.162 0.000 2.002 288 K HA -0.156 4.177 4.320 0.021 0.000 0.209 288 K C 2.258 179.019 176.600 0.268 0.000 1.048 288 K CA 0.922 57.355 56.287 0.243 0.000 0.930 288 K CB -0.377 32.313 32.500 0.317 0.000 0.714 288 K HN 0.013 nan 8.250 nan 0.000 0.438 289 L N 1.462 122.806 121.223 0.203 0.000 2.129 289 L HA -0.224 4.129 4.340 0.021 0.000 0.212 289 L C 2.095 178.886 176.870 -0.132 0.000 1.087 289 L CA 1.757 56.427 54.840 -0.283 0.000 0.757 289 L CB -0.712 41.085 42.059 -0.436 0.000 0.896 289 L HN 0.200 nan 8.230 nan 0.000 0.434 290 A N -0.273 122.533 122.820 -0.023 0.000 1.824 290 A HA -0.280 4.053 4.320 0.021 0.000 0.215 290 A C 2.424 180.012 177.584 0.008 0.000 1.209 290 A CA 1.993 54.025 52.037 -0.010 0.000 0.614 290 A CB -0.881 18.129 19.000 0.016 0.000 0.852 290 A HN 0.477 nan 8.150 nan 0.000 0.447 291 K N -0.365 120.058 120.400 0.039 0.000 2.107 291 K HA -0.231 4.101 4.320 0.021 0.000 0.211 291 K C 2.088 178.716 176.600 0.046 0.000 1.049 291 K CA 1.739 58.054 56.287 0.046 0.000 0.927 291 K CB -0.386 32.152 32.500 0.064 0.000 0.714 291 K HN 0.404 nan 8.250 nan 0.000 0.452 292 A N 1.190 124.047 122.820 0.062 0.000 1.877 292 A HA -0.127 4.206 4.320 0.021 0.000 0.216 292 A C 2.126 179.720 177.584 0.017 0.000 1.186 292 A CA 1.565 53.639 52.037 0.062 0.000 0.620 292 A CB -0.514 18.550 19.000 0.106 0.000 0.822 292 A HN 0.376 nan 8.150 nan 0.000 0.443 293 I N -0.698 119.857 120.570 -0.025 0.000 2.226 293 I HA -0.260 3.922 4.170 0.021 0.000 0.245 293 I C 2.577 178.692 176.117 -0.004 0.000 1.100 293 I CA 1.233 62.516 61.300 -0.028 0.000 1.374 293 I CB -0.333 37.633 38.000 -0.058 0.000 1.057 293 I HN 0.308 nan 8.210 nan 0.000 0.413 294 R N 0.547 121.047 120.500 0.000 0.000 2.249 294 R HA -0.101 4.251 4.340 0.021 0.000 0.230 294 R C 2.029 178.335 176.300 0.009 0.000 1.121 294 R CA 1.192 57.295 56.100 0.005 0.000 0.997 294 R CB -0.479 29.826 30.300 0.007 0.000 0.867 294 R HN 0.424 nan 8.270 nan 0.000 0.465 295 G N -1.011 107.799 108.800 0.016 0.000 3.042 295 G HA2 0.215 4.187 3.960 0.021 0.000 0.212 295 G HA3 0.215 4.187 3.960 0.021 0.000 0.212 295 G C 0.895 175.812 174.900 0.027 0.000 1.166 295 G CA 0.397 45.509 45.100 0.021 0.000 0.767 295 G HN 0.419 nan 8.290 nan 0.000 0.546 296 G N -1.448 107.369 108.800 0.028 0.000 2.213 296 G HA2 -0.215 3.757 3.960 0.021 0.000 0.236 296 G HA3 -0.215 3.757 3.960 0.021 0.000 0.236 296 G C 0.106 175.043 174.900 0.062 0.000 0.991 296 G CA 0.193 45.317 45.100 0.040 0.000 0.629 296 G HN 0.772 nan 8.290 nan 0.000 0.517 297 V N 0.534 120.483 119.914 0.058 0.000 2.715 297 V HA 0.943 5.076 4.120 0.021 0.000 0.310 297 V C 0.398 176.508 176.094 0.028 0.000 1.054 297 V CA -0.117 62.223 62.300 0.067 0.000 0.928 297 V CB 1.757 33.634 31.823 0.090 0.000 1.007 297 V HN 1.398 nan 8.190 nan 0.000 0.437 298 A N 2.805 125.625 122.820 0.001 0.000 2.527 298 A HA 1.004 5.336 4.320 0.021 0.000 0.293 298 A C -1.135 176.434 177.584 -0.026 0.000 1.117 298 A CA -0.529 51.450 52.037 -0.097 0.000 0.723 298 A CB 1.728 20.643 19.000 -0.141 0.000 1.313 298 A HN 0.988 nan 8.150 nan 0.000 0.411 299 F N -0.884 119.061 119.950 -0.008 0.000 2.507 299 F HA 0.836 5.375 4.527 0.021 0.000 0.327 299 F C -0.399 175.387 175.800 -0.023 0.000 1.068 299 F CA -0.877 57.122 58.000 -0.001 0.000 0.965 299 F CB 1.188 40.212 39.000 0.039 0.000 1.192 299 F HN 0.744 nan 8.300 nan 0.000 0.476 300 H N 1.543 120.708 119.070 0.157 0.000 2.934 300 H HA 0.585 5.153 4.556 0.020 0.000 0.340 300 H C -1.556 173.841 175.328 0.114 0.000 1.008 300 H CA -0.447 55.613 56.048 0.019 0.000 1.317 300 H CB 0.879 30.601 29.762 -0.066 0.000 1.670 300 H HN 0.986 nan 8.280 nan 0.000 0.516 301 H N 2.011 121.115 119.070 0.057 0.000 3.024 301 H HA 0.423 4.991 4.556 0.021 0.000 0.324 301 H C 0.080 175.414 175.328 0.011 0.000 1.347 301 H CA -0.382 55.718 56.048 0.087 0.000 1.182 301 H CB 0.522 30.343 29.762 0.097 0.000 1.889 301 H HN 0.554 nan 8.280 nan 0.000 0.528 302 A N 1.255 124.249 122.820 0.291 0.000 2.104 302 A HA -0.113 4.219 4.320 0.021 0.000 0.223 302 A C 2.221 179.951 177.584 0.243 0.000 1.164 302 A CA 2.095 54.250 52.037 0.197 0.000 0.659 302 A CB -1.504 17.580 19.000 0.141 0.000 0.808 302 A HN 1.031 nan 8.150 nan 0.000 0.465 303 G N -1.243 107.875 108.800 0.529 0.000 2.598 303 G HA2 0.239 4.211 3.960 0.021 0.000 0.215 303 G HA3 0.239 4.211 3.960 0.021 0.000 0.215 303 G C 0.565 175.607 174.900 0.237 0.000 1.131 303 G CA 0.077 45.398 45.100 0.369 0.000 0.785 303 G HN 0.436 nan 8.290 nan 0.000 0.539 304 L N 0.631 121.907 121.223 0.088 0.000 2.357 304 L HA 0.525 4.877 4.340 0.021 0.000 0.273 304 L C 1.263 178.168 176.870 0.058 0.000 1.080 304 L CA -0.976 53.863 54.840 -0.001 0.000 0.803 304 L CB 1.432 43.384 42.059 -0.177 0.000 1.174 304 L HN 0.108 nan 8.230 nan 0.000 0.443 305 G N 0.638 109.517 108.800 0.133 0.000 2.664 305 G HA2 0.048 4.020 3.960 0.021 0.000 0.242 305 G HA3 0.048 4.020 3.960 0.021 0.000 0.242 305 G C 0.715 175.656 174.900 0.069 0.000 1.225 305 G CA -0.244 44.997 45.100 0.235 0.000 0.849 305 G HN 0.742 nan 8.290 nan 0.000 0.581 306 R N 0.029 120.554 120.500 0.042 0.000 2.094 306 R HA -0.118 4.234 4.340 0.021 0.000 0.239 306 R C 2.017 178.306 176.300 -0.020 0.000 1.137 306 R CA 2.344 58.442 56.100 -0.004 0.000 0.943 306 R CB -0.605 29.678 30.300 -0.029 0.000 0.850 306 R HN 0.627 nan 8.270 nan 0.000 0.433 307 D N -0.008 120.373 120.400 -0.033 0.000 2.088 307 D HA -0.155 4.497 4.640 0.021 0.000 0.191 307 D C 1.838 178.124 176.300 -0.023 0.000 0.992 307 D CA 1.684 55.669 54.000 -0.026 0.000 0.831 307 D CB -0.500 40.282 40.800 -0.031 0.000 0.973 307 D HN 0.218 nan 8.370 nan 0.000 0.447 308 E N 0.511 120.694 120.200 -0.027 0.000 2.113 308 E HA -0.230 4.133 4.350 0.021 0.000 0.210 308 E C 2.153 178.705 176.600 -0.080 0.000 1.040 308 E CA 1.234 57.601 56.400 -0.055 0.000 0.847 308 E CB -0.226 29.438 29.700 -0.061 0.000 0.755 308 E HN 0.214 nan 8.360 nan 0.000 0.459 309 R N -0.161 120.275 120.500 -0.106 0.000 2.091 309 R HA -0.116 4.236 4.340 0.021 0.000 0.238 309 R C 2.280 178.602 176.300 0.036 0.000 1.136 309 R CA 1.422 57.440 56.100 -0.137 0.000 0.959 309 R CB -0.291 29.878 30.300 -0.219 0.000 0.856 309 R HN 0.110 nan 8.270 nan 0.000 0.437 310 V N 0.968 120.898 119.914 0.026 0.000 2.358 310 V HA -0.210 3.922 4.120 0.021 0.000 0.246 310 V C 2.140 178.259 176.094 0.042 0.000 1.047 310 V CA 1.315 63.644 62.300 0.049 0.000 1.035 310 V CB -0.470 31.370 31.823 0.028 0.000 0.658 310 V HN 0.265 nan 8.190 nan 0.000 0.452 311 L N 0.018 121.251 121.223 0.017 0.000 2.046 311 L HA -0.101 4.251 4.340 0.021 0.000 0.208 311 L C 2.306 179.190 176.870 0.023 0.000 1.077 311 L CA 1.809 56.656 54.840 0.011 0.000 0.747 311 L CB -0.425 41.627 42.059 -0.011 0.000 0.896 311 L HN 0.103 nan 8.230 nan 0.000 0.432 312 V N -0.142 119.786 119.914 0.023 0.000 2.229 312 V HA -0.281 3.851 4.120 0.021 0.000 0.243 312 V C 2.442 178.595 176.094 0.098 0.000 1.042 312 V CA 2.030 64.356 62.300 0.042 0.000 1.000 312 V CB -0.664 31.184 31.823 0.041 0.000 0.637 312 V HN 0.484 nan 8.190 nan 0.000 0.446 313 E N 0.468 120.741 120.200 0.121 0.000 2.068 313 E HA -0.338 4.024 4.350 0.021 0.000 0.207 313 E C 2.188 178.867 176.600 0.131 0.000 1.032 313 E CA 2.146 58.612 56.400 0.111 0.000 0.839 313 E CB -0.326 29.440 29.700 0.109 0.000 0.758 313 E HN 0.884 nan 8.360 nan 0.000 0.457 314 E N 0.637 120.893 120.200 0.093 0.000 2.077 314 E HA -0.187 4.176 4.350 0.021 0.000 0.193 314 E C 1.787 178.426 176.600 0.066 0.000 0.989 314 E CA 1.053 57.496 56.400 0.072 0.000 0.800 314 E CB -0.257 29.470 29.700 0.046 0.000 0.746 314 E HN 0.162 nan 8.360 nan 0.000 0.452 315 N N -0.112 118.630 118.700 0.070 0.000 2.453 315 N HA -0.100 4.653 4.740 0.021 0.000 0.183 315 N C 1.359 176.914 175.510 0.076 0.000 1.041 315 N CA 0.800 53.881 53.050 0.052 0.000 0.900 315 N CB -0.161 38.352 38.487 0.042 0.000 0.961 315 N HN 0.229 nan 8.380 nan 0.000 0.443 316 F N 1.927 121.862 119.950 -0.026 0.000 2.335 316 F HA 0.081 4.620 4.527 0.020 0.000 0.296 316 F C 2.481 178.259 175.800 -0.038 0.000 1.091 316 F CA 0.614 58.594 58.000 -0.034 0.000 1.399 316 F CB -0.029 38.947 39.000 -0.040 0.000 1.067 316 F HN -0.164 nan 8.300 nan 0.000 0.520 317 R N 0.676 121.179 120.500 0.005 0.000 2.062 317 R HA -0.102 4.250 4.340 0.021 0.000 0.231 317 R C 2.108 178.327 176.300 -0.135 0.000 1.136 317 R CA 1.248 57.303 56.100 -0.075 0.000 0.948 317 R CB -0.167 30.150 30.300 0.029 0.000 0.845 317 R HN 0.046 nan 8.270 nan 0.000 0.430 318 K N -0.492 119.864 120.400 -0.074 0.000 2.281 318 K HA -0.078 4.255 4.320 0.021 0.000 0.203 318 K C 1.218 177.743 176.600 -0.124 0.000 1.046 318 K CA 1.203 57.447 56.287 -0.071 0.000 0.938 318 K CB -0.173 32.307 32.500 -0.033 0.000 0.737 318 K HN 0.607 nan 8.250 nan 0.000 0.458 319 G N 1.170 109.852 108.800 -0.197 0.000 2.159 319 G HA2 -0.276 3.696 3.960 0.021 0.000 0.256 319 G HA3 -0.276 3.696 3.960 0.021 0.000 0.256 319 G C 0.875 175.692 174.900 -0.139 0.000 0.977 319 G CA 0.430 45.382 45.100 -0.247 0.000 0.652 319 G HN 0.335 nan 8.290 nan 0.000 0.531 320 I N 0.105 120.628 120.570 -0.078 0.000 2.676 320 I HA 0.195 4.378 4.170 0.021 0.000 0.259 320 I C 1.269 177.380 176.117 -0.010 0.000 1.194 320 I CA 0.827 62.106 61.300 -0.036 0.000 1.473 320 I CB 0.016 38.006 38.000 -0.017 0.000 1.096 320 I HN 0.195 nan 8.210 nan 0.000 0.443 321 I N 1.252 121.829 120.570 0.012 0.000 2.354 321 I HA 0.147 4.329 4.170 0.021 0.000 0.292 321 I C 0.820 177.000 176.117 0.105 0.000 0.989 321 I CA -0.478 60.875 61.300 0.089 0.000 1.188 321 I CB 1.690 39.792 38.000 0.170 0.000 1.342 321 I HN -0.060 nan 8.210 nan 0.000 0.457 322 K N 4.462 124.929 120.400 0.112 0.000 2.314 322 K HA 0.330 4.663 4.320 0.021 0.000 0.198 322 K C 0.211 176.984 176.600 0.288 0.000 1.045 322 K CA 0.328 56.682 56.287 0.111 0.000 0.988 322 K CB 0.382 32.929 32.500 0.077 0.000 0.783 322 K HN 0.666 nan 8.250 nan 0.000 0.484 323 A N 0.297 123.312 122.820 0.325 0.000 2.589 323 A HA 0.555 4.887 4.320 0.021 0.000 0.296 323 A C -1.560 176.049 177.584 0.041 0.000 1.062 323 A CA -0.670 51.529 52.037 0.270 0.000 0.686 323 A CB 1.876 20.965 19.000 0.150 0.000 1.282 323 A HN -0.093 nan 8.150 nan 0.000 0.404 324 V N 2.162 121.928 119.914 -0.246 0.000 2.638 324 V HA 0.690 4.822 4.120 0.021 0.000 0.306 324 V C -1.233 174.703 176.094 -0.263 0.000 1.052 324 V CA -0.471 61.650 62.300 -0.297 0.000 0.885 324 V CB 1.806 33.297 31.823 -0.554 0.000 0.999 324 V HN 0.960 nan 8.190 nan 0.000 0.424 325 V N 6.921 126.778 119.914 -0.095 0.000 2.383 325 V HA 0.885 5.017 4.120 0.021 0.000 0.275 325 V C 0.532 176.607 176.094 -0.031 0.000 1.036 325 V CA 0.423 62.689 62.300 -0.057 0.000 0.889 325 V CB 0.877 32.748 31.823 0.081 0.000 0.985 325 V HN 1.222 nan 8.190 nan 0.000 0.459 326 A N 3.800 126.522 122.820 -0.164 0.000 2.515 326 A HA 0.930 5.262 4.320 0.021 0.000 0.296 326 A C 0.014 177.636 177.584 0.063 0.000 1.094 326 A CA -0.437 51.573 52.037 -0.044 0.000 0.718 326 A CB 1.933 20.806 19.000 -0.213 0.000 1.307 326 A HN 0.787 nan 8.150 nan 0.000 0.408 327 T N -1.004 113.667 114.554 0.195 0.000 2.881 327 T HA 0.580 4.943 4.350 0.021 0.000 0.278 327 T C -2.114 172.746 174.700 0.267 0.000 0.982 327 T CA -1.447 60.777 62.100 0.207 0.000 0.989 327 T CB 0.968 69.940 68.868 0.173 0.000 1.058 327 T HN 0.237 nan 8.240 nan 0.000 0.529 328 P HA 0.024 nan 4.420 nan 0.000 0.213 328 P C 0.491 177.879 177.300 0.148 0.000 1.170 328 P CA 0.878 64.074 63.100 0.160 0.000 0.889 328 P CB -0.507 31.230 31.700 0.062 0.000 0.782 329 T N 0.058 114.688 114.554 0.126 0.000 2.765 329 T HA 0.181 4.543 4.350 0.021 0.000 0.284 329 T C 0.530 175.329 174.700 0.164 0.000 0.946 329 T CA 0.005 62.177 62.100 0.120 0.000 1.185 329 T CB -0.942 67.984 68.868 0.096 0.000 0.887 329 T HN 0.099 nan 8.240 nan 0.000 0.532 330 L N 0.433 121.752 121.223 0.161 0.000 4.053 330 L HA -0.182 4.170 4.340 0.021 0.000 0.396 330 L C 0.902 177.923 176.870 0.250 0.000 1.163 330 L CA 0.180 55.144 54.840 0.207 0.000 0.912 330 L CB -2.904 39.288 42.059 0.223 0.000 2.121 330 L HN 0.919 nan 8.230 nan 0.000 0.674 337 P HA 0.762 nan 4.420 nan 0.000 0.274 337 P C -1.062 176.359 177.300 0.201 0.000 1.256 337 P CA -0.567 62.630 63.100 0.162 0.000 0.795 337 P CB 0.433 32.205 31.700 0.119 0.000 1.038 338 A N -0.148 122.792 122.820 0.199 0.000 2.587 338 A HA 0.453 4.785 4.320 0.021 0.000 0.293 338 A C 0.189 177.897 177.584 0.206 0.000 1.087 338 A CA -0.542 51.628 52.037 0.222 0.000 0.692 338 A CB 0.350 19.560 19.000 0.351 0.000 1.291 338 A HN 0.477 nan 8.150 nan 0.000 0.407 339 F N 0.940 120.921 119.950 0.053 0.000 2.095 339 F HA 0.042 4.581 4.527 0.020 0.000 0.298 339 F C 0.899 176.738 175.800 0.065 0.000 1.104 339 F CA 1.843 59.870 58.000 0.045 0.000 1.232 339 F CB 0.039 39.058 39.000 0.032 0.000 0.987 339 F HN 0.525 nan 8.300 nan 0.000 0.475 340 R N 0.148 120.545 120.500 -0.172 0.000 2.480 340 R HA 0.540 4.892 4.340 0.021 0.000 0.306 340 R C -1.638 174.630 176.300 -0.053 0.000 0.958 340 R CA -0.789 55.144 56.100 -0.277 0.000 0.861 340 R CB 2.402 32.498 30.300 -0.341 0.000 1.171 340 R HN -0.128 nan 8.270 nan 0.000 0.445 341 V N 5.846 125.744 119.914 -0.027 0.000 2.384 341 V HA 0.434 4.566 4.120 0.021 0.000 0.287 341 V C -0.109 176.009 176.094 0.040 0.000 1.020 341 V CA -0.559 61.776 62.300 0.059 0.000 0.850 341 V CB 1.577 33.474 31.823 0.123 0.000 0.987 341 V HN 0.621 nan 8.190 nan 0.000 0.436 342 I N 5.991 126.587 120.570 0.043 0.000 2.362 342 I HA 0.462 4.644 4.170 0.021 0.000 0.289 342 I C -0.334 175.785 176.117 0.004 0.000 0.994 342 I CA -0.356 60.939 61.300 -0.008 0.000 1.158 342 I CB 1.789 39.782 38.000 -0.013 0.000 1.315 342 I HN 0.430 nan 8.210 nan 0.000 0.451 343 I N 6.593 127.131 120.570 -0.055 0.000 2.310 343 I HA 0.212 4.394 4.170 0.021 0.000 0.287 343 I C 1.233 177.230 176.117 -0.200 0.000 1.073 343 I CA -0.331 60.921 61.300 -0.080 0.000 1.216 343 I CB 0.904 38.811 38.000 -0.155 0.000 1.415 343 I HN 0.600 nan 8.210 nan 0.000 0.480 344 R N 3.434 123.767 120.500 -0.278 0.000 2.236 344 R HA 0.055 4.408 4.340 0.021 0.000 0.208 344 R C -0.411 175.722 176.300 -0.278 0.000 1.036 344 R CA 1.075 56.894 56.100 -0.467 0.000 1.001 344 R CB 0.036 29.912 30.300 -0.707 0.000 0.896 344 R HN 0.455 nan 8.270 nan 0.000 0.464 345 D N -0.533 119.772 120.400 -0.159 0.000 2.780 345 D HA 0.185 4.838 4.640 0.021 0.000 0.242 345 D C 0.278 176.530 176.300 -0.079 0.000 1.135 345 D CA -0.394 53.565 54.000 -0.069 0.000 0.859 345 D CB 1.746 42.530 40.800 -0.026 0.000 1.530 345 D HN 0.220 nan 8.370 nan 0.000 0.493 346 I N -3.247 117.304 120.570 -0.031 0.000 4.081 346 I HA 0.448 4.630 4.170 0.021 0.000 0.333 346 I C -0.834 175.091 176.117 -0.320 0.000 1.413 346 I CA -0.358 60.830 61.300 -0.187 0.000 1.110 346 I CB 0.314 38.199 38.000 -0.192 0.000 1.082 346 I HN 0.015 nan 8.210 nan 0.000 0.402 347 W N 2.994 124.293 121.300 -0.002 0.000 2.839 347 W HA 0.609 5.281 4.660 0.021 0.000 0.334 347 W C -0.327 176.188 176.519 -0.007 0.000 1.064 347 W CA -0.543 56.806 57.345 0.008 0.000 1.236 347 W CB 1.372 30.835 29.460 0.005 0.000 1.405 347 W HN -0.015 nan 8.180 nan 0.000 0.478 348 R N 0.517 121.135 120.500 0.196 0.000 2.807 348 R HA 0.822 5.174 4.340 0.021 0.000 0.276 348 R C -0.724 175.645 176.300 0.115 0.000 0.979 348 R CA -1.020 55.148 56.100 0.113 0.000 0.928 348 R CB 0.342 30.672 30.300 0.051 0.000 1.191 348 R HN 0.468 nan 8.270 nan 0.000 0.471 349 Y N 0.172 120.514 120.300 0.071 0.000 2.393 349 Y HA 0.572 5.134 4.550 0.021 0.000 0.338 349 Y C 0.248 176.171 175.900 0.038 0.000 1.029 349 Y CA -0.242 57.889 58.100 0.051 0.000 1.239 349 Y CB 0.186 38.660 38.460 0.024 0.000 1.170 349 Y HN 1.026 nan 8.280 nan 0.000 0.515 350 S N 0.780 116.504 115.700 0.040 0.000 2.677 350 S HA 0.543 5.026 4.470 0.021 0.000 0.304 350 S C 0.496 175.105 174.600 0.014 0.000 1.108 350 S CA -0.415 57.801 58.200 0.027 0.000 0.944 350 S CB 0.777 63.998 63.200 0.035 0.000 1.127 350 S HN 0.658 nan 8.310 nan 0.000 0.511 351 D N 0.429 120.832 120.400 0.005 0.000 2.371 351 D HA 0.058 4.711 4.640 0.021 0.000 0.221 351 D C 1.135 177.434 176.300 -0.001 0.000 0.986 351 D CA 1.341 55.338 54.000 -0.005 0.000 0.899 351 D CB -0.326 40.467 40.800 -0.012 0.000 0.902 351 D HN 0.605 nan 8.370 nan 0.000 0.530 352 F N 0.229 120.184 119.950 0.008 0.000 2.693 352 F HA 0.569 5.109 4.527 0.021 0.000 0.303 352 F C 1.498 177.312 175.800 0.023 0.000 1.097 352 F CA 0.263 58.270 58.000 0.011 0.000 1.330 352 F CB -0.233 38.776 39.000 0.013 0.000 1.067 352 F HN 0.108 nan 8.300 nan 0.000 0.565 353 G N -0.403 108.412 108.800 0.024 0.000 2.498 353 G HA2 0.171 4.143 3.960 0.021 0.000 0.651 353 G HA3 0.171 4.143 3.960 0.021 0.000 0.651 353 G C -0.537 174.401 174.900 0.064 0.000 1.284 353 G CA -0.517 44.601 45.100 0.031 0.000 0.950 353 G HN 0.477 nan 8.290 nan 0.000 0.511 354 M N 1.701 121.345 119.600 0.074 0.000 2.184 354 M HA 0.360 4.853 4.480 0.021 0.000 0.351 354 M C 0.654 177.135 176.300 0.301 0.000 1.395 354 M CA 0.387 55.775 55.300 0.146 0.000 1.117 354 M CB -0.060 32.589 32.600 0.082 0.000 1.708 354 M HN 0.713 nan 8.290 nan 0.000 0.468 355 E N 3.049 123.444 120.200 0.325 0.000 2.378 355 E HA 0.702 5.065 4.350 0.021 0.000 0.265 355 E C -0.994 175.680 176.600 0.122 0.000 0.932 355 E CA -1.264 55.328 56.400 0.319 0.000 0.795 355 E CB 1.396 31.173 29.700 0.129 0.000 1.296 355 E HN 0.568 nan 8.360 nan 0.000 0.438 356 R N 1.012 121.329 120.500 -0.304 0.000 2.441 356 R HA 0.386 4.739 4.340 0.021 0.000 0.284 356 R C 0.072 176.258 176.300 -0.190 0.000 1.070 356 R CA -0.614 55.124 56.100 -0.603 0.000 1.047 356 R CB 0.234 30.029 30.300 -0.842 0.000 1.016 356 R HN 0.457 nan 8.270 nan 0.000 0.477 357 I N 3.633 124.122 120.570 -0.134 0.000 2.683 357 I HA 0.006 4.188 4.170 0.021 0.000 0.286 357 I C -1.741 174.400 176.117 0.039 0.000 1.175 357 I CA -1.621 59.642 61.300 -0.062 0.000 1.429 357 I CB 0.282 38.198 38.000 -0.140 0.000 1.371 357 I HN 0.312 nan 8.210 nan 0.000 0.569 358 P HA 0.025 nan 4.420 nan 0.000 0.267 358 P C 0.822 178.124 177.300 0.003 0.000 1.201 358 P CA 0.139 63.242 63.100 0.007 0.000 0.775 358 P CB 0.664 32.355 31.700 -0.016 0.000 0.854 359 I N 1.517 122.033 120.570 -0.091 0.000 2.179 359 I HA -0.227 3.955 4.170 0.021 0.000 0.242 359 I C 2.132 177.993 176.117 -0.426 0.000 1.088 359 I CA 1.409 62.554 61.300 -0.258 0.000 1.357 359 I CB -0.395 37.328 38.000 -0.461 0.000 1.051 359 I HN 0.393 nan 8.210 nan 0.000 0.409 360 I N 0.594 120.992 120.570 -0.286 0.000 2.315 360 I HA -0.342 3.840 4.170 0.021 0.000 0.251 360 I C 2.548 178.563 176.117 -0.170 0.000 1.125 360 I CA 1.563 62.730 61.300 -0.221 0.000 1.392 360 I CB -0.316 37.615 38.000 -0.115 0.000 1.065 360 I HN 0.331 nan 8.210 nan 0.000 0.424 361 E N 0.382 120.494 120.200 -0.147 0.000 2.076 361 E HA -0.139 4.223 4.350 0.021 0.000 0.190 361 E C 2.320 178.799 176.600 -0.200 0.000 0.979 361 E CA 0.860 57.176 56.400 -0.141 0.000 0.807 361 E CB 0.246 29.874 29.700 -0.119 0.000 0.761 361 E HN 0.240 nan 8.360 nan 0.000 0.454 362 V N 0.798 120.575 119.914 -0.229 0.000 2.407 362 V HA -0.267 3.866 4.120 0.021 0.000 0.248 362 V C 1.917 177.947 176.094 -0.107 0.000 1.055 362 V CA 2.080 64.219 62.300 -0.269 0.000 1.049 362 V CB -0.675 30.902 31.823 -0.411 0.000 0.662 362 V HN 0.409 nan 8.190 nan 0.000 0.455 363 H N -0.592 118.385 119.070 -0.155 0.000 2.321 363 H HA -0.166 4.402 4.556 0.020 0.000 0.300 363 H C 2.549 177.795 175.328 -0.138 0.000 1.087 363 H CA 1.468 57.438 56.048 -0.130 0.000 1.319 363 H CB 0.096 29.793 29.762 -0.108 0.000 1.379 363 H HN 0.445 nan 8.280 nan 0.000 0.501 364 Q N 0.188 119.978 119.800 -0.017 0.000 2.135 364 Q HA -0.168 4.184 4.340 0.021 0.000 0.204 364 Q C 2.329 178.257 176.000 -0.120 0.000 0.981 364 Q CA 1.231 56.994 55.803 -0.067 0.000 0.856 364 Q CB -0.015 28.677 28.738 -0.078 0.000 0.902 364 Q HN 0.583 nan 8.270 nan 0.000 0.425 365 M N 0.082 119.544 119.600 -0.230 0.000 2.123 365 M HA -0.136 4.356 4.480 0.021 0.000 0.263 365 M C 2.172 178.378 176.300 -0.157 0.000 1.069 365 M CA 1.274 56.343 55.300 -0.386 0.000 1.133 365 M CB -0.254 31.921 32.600 -0.708 0.000 1.356 365 M HN 0.163 nan 8.290 nan 0.000 0.415 366 L N -0.393 120.762 121.223 -0.113 0.000 2.191 366 L HA -0.088 4.264 4.340 0.021 0.000 0.212 366 L C 2.463 179.315 176.870 -0.031 0.000 1.103 366 L CA 0.937 55.746 54.840 -0.051 0.000 0.769 366 L CB -1.177 40.849 42.059 -0.056 0.000 0.908 366 L HN 0.426 nan 8.230 nan 0.000 0.438 367 G N -0.074 108.704 108.800 -0.038 0.000 2.625 367 G HA2 -0.168 3.805 3.960 0.021 0.000 0.214 367 G HA3 -0.168 3.805 3.960 0.021 0.000 0.214 367 G C 1.526 176.431 174.900 0.008 0.000 1.132 367 G CA -0.032 45.052 45.100 -0.027 0.000 0.782 367 G HN 0.362 nan 8.290 nan 0.000 0.538 368 R N 0.102 120.624 120.500 0.037 0.000 2.356 368 R HA 0.364 4.716 4.340 0.021 0.000 0.234 368 R C 0.688 177.039 176.300 0.085 0.000 0.929 368 R CA 0.044 56.193 56.100 0.082 0.000 1.084 368 R CB 0.427 30.811 30.300 0.141 0.000 1.105 368 R HN 0.238 nan 8.270 nan 0.000 0.515 369 A N 1.087 123.936 122.820 0.049 0.000 2.290 369 A HA 0.617 4.949 4.320 0.021 0.000 0.310 369 A C 0.285 177.893 177.584 0.041 0.000 1.202 369 A CA -0.191 51.870 52.037 0.040 0.000 0.837 369 A CB 0.858 19.854 19.000 -0.007 0.000 1.139 369 A HN 0.297 nan 8.150 nan 0.000 0.509 370 G N 2.337 111.191 108.800 0.091 0.000 3.238 370 G HA2 -0.066 3.907 3.960 0.021 0.000 0.684 370 G HA3 -0.066 3.907 3.960 0.021 0.000 0.684 370 G C -0.577 174.382 174.900 0.098 0.000 1.156 370 G CA -0.881 44.283 45.100 0.105 0.000 1.048 370 G HN 0.958 nan 8.290 nan 0.000 0.462 371 R N 3.882 124.459 120.500 0.129 0.000 2.210 371 R HA 0.328 4.680 4.340 0.021 0.000 0.338 371 R C -1.440 174.942 176.300 0.137 0.000 1.062 371 R CA -1.584 54.592 56.100 0.127 0.000 0.902 371 R CB 1.153 31.525 30.300 0.121 0.000 1.050 371 R HN 0.253 nan 8.270 nan 0.000 0.461 372 P HA -0.361 nan 4.420 nan 0.000 0.219 372 P C 1.469 178.833 177.300 0.107 0.000 1.158 372 P CA 2.302 65.468 63.100 0.110 0.000 0.895 372 P CB 0.262 32.050 31.700 0.147 0.000 0.792 373 K N -0.981 119.504 120.400 0.142 0.000 1.965 373 K HA -0.177 4.155 4.320 0.021 0.000 0.214 373 K C 2.013 178.617 176.600 0.007 0.000 1.046 373 K CA 2.055 58.387 56.287 0.074 0.000 0.944 373 K CB -2.236 30.353 32.500 0.150 0.000 0.726 373 K HN 0.214 nan 8.250 nan 0.000 0.441 374 Y N 1.428 121.724 120.300 -0.006 0.000 2.490 374 Y HA 0.211 4.773 4.550 0.020 0.000 0.281 374 Y C -0.087 175.788 175.900 -0.042 0.000 1.174 374 Y CA -0.572 57.510 58.100 -0.030 0.000 1.295 374 Y CB 0.298 38.730 38.460 -0.048 0.000 1.062 374 Y HN 0.292 nan 8.280 nan 0.000 0.522 375 D N -0.237 120.237 120.400 0.124 0.000 2.619 375 D HA 0.131 4.784 4.640 0.021 0.000 0.241 375 D C 0.431 176.755 176.300 0.039 0.000 1.087 375 D CA -0.296 53.747 54.000 0.072 0.000 0.851 375 D CB 1.519 42.399 40.800 0.133 0.000 1.474 375 D HN 0.391 nan 8.370 nan 0.000 0.478 376 E N -0.545 119.667 120.200 0.020 0.000 2.472 376 E HA 0.250 4.612 4.350 0.021 0.000 0.196 376 E C 0.070 176.671 176.600 0.002 0.000 1.033 376 E CA -0.018 56.383 56.400 0.001 0.000 0.886 376 E CB 0.984 30.678 29.700 -0.010 0.000 0.944 376 E HN 0.041 nan 8.360 nan 0.000 0.492 377 V N 0.226 120.169 119.914 0.048 0.000 3.098 377 V HA 0.527 4.660 4.120 0.021 0.000 0.294 377 V C -0.471 175.710 176.094 0.145 0.000 1.351 377 V CA -0.720 61.608 62.300 0.047 0.000 0.999 377 V CB 2.062 33.895 31.823 0.017 0.000 1.104 377 V HN 0.242 nan 8.190 nan 0.000 0.438 378 G N 1.517 110.343 108.800 0.043 0.000 2.461 378 G HA2 0.786 4.758 3.960 0.021 0.000 0.323 378 G HA3 0.786 4.758 3.960 0.021 0.000 0.323 378 G C -1.157 173.683 174.900 -0.099 0.000 1.229 378 G CA -0.434 44.684 45.100 0.030 0.000 0.941 378 G HN 0.658 nan 8.290 nan 0.000 0.477 379 E N 0.655 120.717 120.200 -0.230 0.000 2.199 379 E HA 0.523 4.885 4.350 0.021 0.000 0.265 379 E C -0.295 176.282 176.600 -0.039 0.000 0.882 379 E CA -0.910 55.399 56.400 -0.151 0.000 0.759 379 E CB 2.425 31.994 29.700 -0.219 0.000 1.148 379 E HN 0.531 nan 8.360 nan 0.000 0.412 380 G N 2.822 111.672 108.800 0.083 0.000 2.422 380 G HA2 0.551 4.523 3.960 0.021 0.000 0.317 380 G HA3 0.551 4.523 3.960 0.021 0.000 0.317 380 G C -0.753 174.192 174.900 0.075 0.000 1.210 380 G CA -0.389 44.740 45.100 0.049 0.000 0.930 380 G HN 0.291 nan 8.290 nan 0.000 0.468 381 I N 2.599 123.173 120.570 0.006 0.000 2.389 381 I HA 0.359 4.541 4.170 0.021 0.000 0.288 381 I C 0.052 176.127 176.117 -0.069 0.000 0.999 381 I CA -0.624 60.646 61.300 -0.050 0.000 1.129 381 I CB 1.926 39.866 38.000 -0.100 0.000 1.288 381 I HN 0.332 nan 8.210 nan 0.000 0.444 382 I N 6.257 126.785 120.570 -0.069 0.000 2.365 382 I HA 0.295 4.478 4.170 0.021 0.000 0.291 382 I C -0.385 175.721 176.117 -0.018 0.000 1.004 382 I CA -0.840 60.408 61.300 -0.086 0.000 1.311 382 I CB 1.233 39.169 38.000 -0.105 0.000 1.401 382 I HN 0.152 nan 8.210 nan 0.000 0.491 383 V N 5.400 125.282 119.914 -0.052 0.000 2.368 383 V HA 0.108 4.240 4.120 0.021 0.000 0.266 383 V C 0.484 176.633 176.094 0.092 0.000 1.045 383 V CA -0.244 62.073 62.300 0.030 0.000 0.899 383 V CB 1.173 32.875 31.823 -0.202 0.000 1.006 383 V HN 0.769 nan 8.190 nan 0.000 0.470 384 S N 3.422 119.254 115.700 0.219 0.000 2.464 384 S HA 0.156 4.638 4.470 0.021 0.000 0.313 384 S C 1.218 176.010 174.600 0.320 0.000 1.078 384 S CA -0.232 58.114 58.200 0.243 0.000 1.096 384 S CB 0.724 64.059 63.200 0.225 0.000 1.032 384 S HN 0.867 nan 8.310 nan 0.000 0.498 385 T N 2.640 117.325 114.554 0.219 0.000 2.896 385 T HA 0.029 4.392 4.350 0.021 0.000 0.263 385 T C 0.787 175.607 174.700 0.200 0.000 1.050 385 T CA 1.269 63.481 62.100 0.188 0.000 1.140 385 T CB -0.056 68.877 68.868 0.107 0.000 0.877 385 T HN 0.751 nan 8.240 nan 0.000 0.457 386 S N 1.248 117.066 115.700 0.198 0.000 2.680 386 S HA 0.459 4.941 4.470 0.021 0.000 0.153 386 S C -1.686 173.004 174.600 0.150 0.000 1.224 386 S CA -0.997 57.300 58.200 0.163 0.000 1.197 386 S CB 0.256 63.500 63.200 0.073 0.000 1.634 386 S HN 0.265 nan 8.310 nan 0.000 0.422 387 D N 0.706 121.209 120.400 0.171 0.000 2.661 387 D HA 0.389 5.041 4.640 0.021 0.000 0.228 387 D C -1.556 174.737 176.300 -0.013 0.000 1.210 387 D CA -0.488 53.587 54.000 0.125 0.000 0.826 387 D CB 0.952 41.879 40.800 0.210 0.000 1.542 387 D HN 0.185 nan 8.370 nan 0.000 0.447 388 D N 1.083 121.459 120.400 -0.039 0.000 2.346 388 D HA 0.143 4.795 4.640 0.021 0.000 0.260 388 D C -1.627 174.558 176.300 -0.192 0.000 1.252 388 D CA -1.871 52.041 54.000 -0.146 0.000 0.895 388 D CB 1.197 41.952 40.800 -0.076 0.000 1.097 388 D HN -0.040 nan 8.370 nan 0.000 0.489 389 P HA -0.276 nan 4.420 nan 0.000 0.217 389 P C 1.468 178.691 177.300 -0.128 0.000 1.158 389 P CA 2.756 65.656 63.100 -0.333 0.000 0.887 389 P CB 0.118 31.475 31.700 -0.573 0.000 0.792 390 R N -0.309 120.125 120.500 -0.110 0.000 2.075 390 R HA -0.106 4.247 4.340 0.021 0.000 0.232 390 R C 2.334 178.641 176.300 0.011 0.000 1.126 390 R CA 2.389 58.474 56.100 -0.025 0.000 0.963 390 R CB -2.258 28.026 30.300 -0.026 0.000 0.858 390 R HN 0.393 nan 8.270 nan 0.000 0.435 391 E N 0.366 120.558 120.200 -0.013 0.000 2.085 391 E HA -0.068 4.294 4.350 0.021 0.000 0.194 391 E C 2.360 178.981 176.600 0.035 0.000 0.994 391 E CA 1.524 57.926 56.400 0.004 0.000 0.801 391 E CB -0.957 28.732 29.700 -0.019 0.000 0.743 391 E HN 0.425 nan 8.360 nan 0.000 0.453 392 V N 0.183 120.127 119.914 0.049 0.000 2.295 392 V HA -0.288 3.844 4.120 0.021 0.000 0.246 392 V C 2.666 178.855 176.094 0.158 0.000 1.049 392 V CA 2.285 64.668 62.300 0.138 0.000 1.024 392 V CB -0.441 31.461 31.823 0.132 0.000 0.648 392 V HN 0.630 nan 8.190 nan 0.000 0.447 393 M N 1.257 120.914 119.600 0.095 0.000 2.080 393 M HA -0.176 4.316 4.480 0.021 0.000 0.260 393 M C 1.789 178.157 176.300 0.113 0.000 1.068 393 M CA 2.064 57.412 55.300 0.080 0.000 1.109 393 M CB -0.792 31.870 32.600 0.104 0.000 1.342 393 M HN 0.331 nan 8.290 nan 0.000 0.405 394 N N -1.041 117.766 118.700 0.179 0.000 2.244 394 N HA -0.166 4.586 4.740 0.021 0.000 0.183 394 N C 1.732 177.335 175.510 0.154 0.000 1.016 394 N CA 1.558 54.748 53.050 0.233 0.000 0.866 394 N CB -0.533 38.047 38.487 0.155 0.000 0.980 394 N HN 0.646 nan 8.380 nan 0.000 0.430 395 H N -1.374 117.662 119.070 -0.056 0.000 2.431 395 H HA 0.126 4.694 4.556 0.021 0.000 0.295 395 H C 0.956 176.112 175.328 -0.285 0.000 1.038 395 H CA 1.319 57.228 56.048 -0.232 0.000 1.360 395 H CB 0.027 29.529 29.762 -0.433 0.000 1.433 395 H HN 0.265 nan 8.280 nan 0.000 0.536 396 Y N -1.325 118.925 120.300 -0.083 0.000 2.458 396 Y HA 0.148 4.710 4.550 0.020 0.000 0.254 396 Y C 1.222 177.083 175.900 -0.065 0.000 1.120 396 Y CA -0.330 57.683 58.100 -0.145 0.000 1.282 396 Y CB 0.914 39.317 38.460 -0.096 0.000 1.109 396 Y HN 0.217 nan 8.280 nan 0.000 0.526 397 I N -2.078 118.453 120.570 -0.065 0.000 4.032 397 I HA 0.045 4.228 4.170 0.021 0.000 0.313 397 I C 0.347 176.095 176.117 -0.614 0.000 1.272 397 I CA 0.853 61.908 61.300 -0.408 0.000 1.307 397 I CB -0.466 37.106 38.000 -0.713 0.000 1.155 397 I HN 0.098 nan 8.210 nan 0.000 0.431 398 F N 1.011 120.999 119.950 0.065 0.000 2.775 398 F HA 0.481 5.021 4.527 0.021 0.000 0.313 398 F C 1.107 176.917 175.800 0.016 0.000 1.121 398 F CA -0.505 57.515 58.000 0.034 0.000 1.206 398 F CB 0.923 39.938 39.000 0.025 0.000 1.052 398 F HN -0.082 nan 8.300 nan 0.000 0.524 399 G N 1.395 110.256 108.800 0.102 0.000 2.379 399 G HA2 0.307 4.279 3.960 0.021 0.000 0.327 399 G HA3 0.307 4.279 3.960 0.021 0.000 0.327 399 G C -0.940 173.964 174.900 0.007 0.000 1.145 399 G CA -0.643 44.460 45.100 0.005 0.000 0.905 399 G HN 0.072 nan 8.290 nan 0.000 0.466 400 K N 2.845 123.252 120.400 0.011 0.000 2.485 400 K HA 0.121 4.454 4.320 0.021 0.000 0.277 400 K C -2.082 174.493 176.600 -0.042 0.000 0.990 400 K CA -0.598 55.697 56.287 0.015 0.000 0.994 400 K CB 0.424 32.930 32.500 0.010 0.000 0.906 400 K HN 0.155 nan 8.250 nan 0.000 0.488 401 P HA 0.073 nan 4.420 nan 0.000 0.274 401 P C -1.087 176.170 177.300 -0.072 0.000 1.246 401 P CA -0.331 62.707 63.100 -0.103 0.000 0.795 401 P CB 0.544 32.208 31.700 -0.060 0.000 1.006 402 E N 0.317 120.473 120.200 -0.074 0.000 2.422 402 E HA 0.033 4.396 4.350 0.021 0.000 0.260 402 E C 0.285 176.869 176.600 -0.026 0.000 1.108 402 E CA 0.170 56.557 56.400 -0.022 0.000 0.943 402 E CB 0.083 29.790 29.700 0.011 0.000 0.961 402 E HN 0.251 nan 8.360 nan 0.000 0.443 403 K N 2.165 122.541 120.400 -0.040 0.000 2.143 403 K HA 0.242 4.575 4.320 0.021 0.000 0.272 403 K C -0.719 175.760 176.600 -0.202 0.000 1.001 403 K CA -0.465 55.729 56.287 -0.154 0.000 0.915 403 K CB 0.533 32.865 32.500 -0.279 0.000 1.047 403 K HN 0.402 nan 8.250 nan 0.000 0.458 404 L N 4.581 125.710 121.223 -0.157 0.000 2.331 404 L HA 0.293 4.646 4.340 0.021 0.000 0.278 404 L C -0.591 176.172 176.870 -0.178 0.000 1.106 404 L CA -0.396 54.414 54.840 -0.049 0.000 0.824 404 L CB 0.239 42.332 42.059 0.057 0.000 1.142 404 L HN 0.617 nan 8.230 nan 0.000 0.443 405 F N 1.068 121.078 119.950 0.099 0.000 2.482 405 F HA 0.210 4.749 4.527 0.021 0.000 0.331 405 F C 0.760 176.602 175.800 0.069 0.000 1.115 405 F CA -0.465 57.555 58.000 0.033 0.000 0.955 405 F CB 2.021 41.010 39.000 -0.018 0.000 1.136 405 F HN 0.398 nan 8.300 nan 0.000 0.452 406 S N 2.445 118.269 115.700 0.207 0.000 2.546 406 S HA -0.015 4.467 4.470 0.021 0.000 0.290 406 S C 0.525 175.252 174.600 0.212 0.000 1.290 406 S CA -0.385 57.938 58.200 0.205 0.000 1.069 406 S CB 0.468 63.748 63.200 0.134 0.000 0.846 406 S HN 0.587 nan 8.310 nan 0.000 0.495 407 Q N 4.069 123.966 119.800 0.161 0.000 2.211 407 Q HA 0.195 4.547 4.340 0.021 0.000 0.231 407 Q C 1.043 177.089 176.000 0.077 0.000 0.865 407 Q CA -0.229 55.643 55.803 0.114 0.000 0.997 407 Q CB 0.125 28.913 28.738 0.083 0.000 1.101 407 Q HN 0.751 nan 8.270 nan 0.000 0.468 408 L N 0.199 121.477 121.223 0.092 0.000 2.191 408 L HA -0.075 4.277 4.340 0.021 0.000 0.212 408 L C 1.693 178.497 176.870 -0.111 0.000 1.103 408 L CA 1.533 56.356 54.840 -0.028 0.000 0.769 408 L CB -0.174 41.822 42.059 -0.106 0.000 0.908 408 L HN 0.036 nan 8.230 nan 0.000 0.438 409 S N -0.346 115.317 115.700 -0.061 0.000 2.515 409 S HA -0.074 4.409 4.470 0.021 0.000 0.231 409 S C 0.903 175.467 174.600 -0.061 0.000 0.987 409 S CA 0.040 58.192 58.200 -0.081 0.000 0.936 409 S CB -0.837 62.371 63.200 0.014 0.000 0.766 409 S HN 0.552 nan 8.310 nan 0.000 0.528 410 N N 2.487 121.164 118.700 -0.038 0.000 2.355 410 N HA -0.117 4.636 4.740 0.021 0.000 0.282 410 N C 0.906 176.375 175.510 -0.069 0.000 1.374 410 N CA 0.271 53.297 53.050 -0.041 0.000 0.929 410 N CB 0.548 39.022 38.487 -0.022 0.000 1.278 410 N HN 0.200 nan 8.380 nan 0.000 0.491 411 E N 2.674 122.826 120.200 -0.081 0.000 2.187 411 E HA -0.204 4.159 4.350 0.021 0.000 0.199 411 E C 1.533 178.063 176.600 -0.117 0.000 1.004 411 E CA 1.656 57.992 56.400 -0.105 0.000 0.813 411 E CB -0.181 29.451 29.700 -0.114 0.000 0.736 411 E HN 0.609 nan 8.360 nan 0.000 0.468 412 S N -0.746 114.892 115.700 -0.103 0.000 2.387 412 S HA -0.060 4.422 4.470 0.021 0.000 0.226 412 S C 1.653 176.194 174.600 -0.098 0.000 1.026 412 S CA 1.105 59.243 58.200 -0.104 0.000 0.972 412 S CB -0.255 62.895 63.200 -0.083 0.000 0.814 412 S HN 0.329 nan 8.310 nan 0.000 0.477 413 N N 1.316 119.968 118.700 -0.080 0.000 2.207 413 N HA -0.010 4.742 4.740 0.021 0.000 0.182 413 N C 1.681 177.135 175.510 -0.094 0.000 1.020 413 N CA 0.902 53.906 53.050 -0.077 0.000 0.858 413 N CB -0.716 37.748 38.487 -0.039 0.000 0.991 413 N HN 0.323 nan 8.380 nan 0.000 0.427 414 L N 2.069 123.235 121.223 -0.096 0.000 2.042 414 L HA -0.085 4.267 4.340 0.021 0.000 0.210 414 L C 2.418 179.218 176.870 -0.116 0.000 1.076 414 L CA 1.561 56.336 54.840 -0.108 0.000 0.749 414 L CB -0.472 41.513 42.059 -0.123 0.000 0.893 414 L HN 0.067 nan 8.230 nan 0.000 0.432 415 R N -1.397 119.028 120.500 -0.125 0.000 2.092 415 R HA -0.141 4.212 4.340 0.021 0.000 0.231 415 R C 2.436 178.651 176.300 -0.142 0.000 1.119 415 R CA 1.471 57.492 56.100 -0.132 0.000 0.970 415 R CB -0.351 29.846 30.300 -0.172 0.000 0.864 415 R HN 0.483 nan 8.270 nan 0.000 0.440 416 S N -0.472 115.134 115.700 -0.157 0.000 2.436 416 S HA -0.093 4.389 4.470 0.021 0.000 0.228 416 S C 1.790 176.287 174.600 -0.172 0.000 1.014 416 S CA 0.873 58.959 58.200 -0.190 0.000 0.950 416 S CB 0.075 63.139 63.200 -0.226 0.000 0.784 416 S HN 0.351 nan 8.310 nan 0.000 0.504 417 Q N 0.579 120.295 119.800 -0.140 0.000 2.212 417 Q HA 0.199 4.551 4.340 0.021 0.000 0.199 417 Q C 1.987 177.900 176.000 -0.145 0.000 0.950 417 Q CA 1.064 56.794 55.803 -0.121 0.000 0.863 417 Q CB -0.376 28.309 28.738 -0.087 0.000 0.944 417 Q HN 0.421 nan 8.270 nan 0.000 0.465 418 V N 0.413 120.248 119.914 -0.131 0.000 2.427 418 V HA -0.192 3.940 4.120 0.021 0.000 0.248 418 V C 2.034 178.066 176.094 -0.102 0.000 1.051 418 V CA 1.438 63.663 62.300 -0.125 0.000 1.048 418 V CB -0.447 31.325 31.823 -0.085 0.000 0.666 418 V HN 0.346 nan 8.190 nan 0.000 0.456 419 L N 0.790 121.951 121.223 -0.102 0.000 2.109 419 L HA 0.041 4.393 4.340 0.021 0.000 0.207 419 L C 2.427 179.264 176.870 -0.055 0.000 1.086 419 L CA 2.194 56.980 54.840 -0.090 0.000 0.760 419 L CB -0.900 41.060 42.059 -0.165 0.000 0.910 419 L HN 0.199 nan 8.230 nan 0.000 0.437 420 A N -0.352 122.434 122.820 -0.056 0.000 1.908 420 A HA -0.183 4.149 4.320 0.021 0.000 0.218 420 A C 2.260 179.942 177.584 0.164 0.000 1.181 420 A CA 2.054 54.108 52.037 0.028 0.000 0.627 420 A CB -0.896 18.139 19.000 0.058 0.000 0.818 420 A HN 0.504 nan 8.150 nan 0.000 0.445 421 L N -0.798 120.443 121.223 0.029 0.000 2.046 421 L HA -0.175 4.177 4.340 0.021 0.000 0.208 421 L C 2.500 179.493 176.870 0.205 0.000 1.077 421 L CA 1.356 56.194 54.840 -0.003 0.000 0.747 421 L CB -0.452 41.260 42.059 -0.578 0.000 0.896 421 L HN 0.381 nan 8.230 nan 0.000 0.432 422 I N -0.431 120.197 120.570 0.096 0.000 2.286 422 I HA -0.220 3.963 4.170 0.021 0.000 0.245 422 I C 2.614 178.781 176.117 0.084 0.000 1.104 422 I CA 1.195 62.565 61.300 0.115 0.000 1.397 422 I CB -0.319 37.718 38.000 0.061 0.000 1.072 422 I HN 0.172 nan 8.210 nan 0.000 0.417 423 A N -0.108 122.737 122.820 0.042 0.000 2.072 423 A HA -0.069 4.263 4.320 0.021 0.000 0.216 423 A C 2.061 179.610 177.584 -0.058 0.000 1.156 423 A CA 1.686 53.724 52.037 0.000 0.000 0.701 423 A CB -0.505 18.489 19.000 -0.009 0.000 0.816 423 A HN 0.488 nan 8.150 nan 0.000 0.458 424 T N -6.164 108.331 114.554 -0.098 0.000 3.016 424 T HA 0.348 4.710 4.350 0.021 0.000 0.271 424 T C 0.507 174.888 174.700 -0.532 0.000 0.968 424 T CA -0.044 61.853 62.100 -0.339 0.000 0.891 424 T CB -0.273 68.285 68.868 -0.516 0.000 1.149 424 T HN 0.149 nan 8.240 nan 0.000 0.524 425 F N 1.647 121.606 119.950 0.016 0.000 2.729 425 F HA 0.564 5.102 4.527 0.019 0.000 0.315 425 F C 1.757 177.612 175.800 0.092 0.000 1.102 425 F CA -0.292 57.758 58.000 0.084 0.000 1.204 425 F CB 0.748 39.877 39.000 0.215 0.000 1.052 425 F HN 0.309 nan 8.300 nan 0.000 0.551 426 G N 0.114 109.018 108.800 0.174 0.000 2.179 426 G HA2 -0.351 3.622 3.960 0.021 0.000 0.257 426 G HA3 -0.351 3.622 3.960 0.021 0.000 0.257 426 G C -0.130 174.801 174.900 0.051 0.000 1.010 426 G CA -0.218 44.926 45.100 0.074 0.000 0.736 426 G HN 0.301 nan 8.290 nan 0.000 0.513 427 Y N 0.649 120.984 120.300 0.059 0.000 2.425 427 Y HA 0.391 4.953 4.550 0.020 0.000 0.331 427 Y C 1.591 177.509 175.900 0.029 0.000 1.157 427 Y CA 0.292 58.416 58.100 0.041 0.000 1.372 427 Y CB 1.549 40.022 38.460 0.021 0.000 1.253 427 Y HN 0.369 nan 8.280 nan 0.000 0.536 428 S N -0.959 114.816 115.700 0.126 0.000 2.847 428 S HA 0.320 4.802 4.470 0.021 0.000 0.254 428 S C 0.025 174.671 174.600 0.077 0.000 1.039 428 S CA -0.279 57.971 58.200 0.082 0.000 1.113 428 S CB 0.242 63.467 63.200 0.041 0.000 1.092 428 S HN 0.511 nan 8.310 nan 0.000 0.620 429 T N 1.035 115.649 114.554 0.100 0.000 2.916 429 T HA 0.450 4.812 4.350 0.021 0.000 0.305 429 T C 1.057 175.818 174.700 0.101 0.000 1.119 429 T CA -0.516 61.635 62.100 0.084 0.000 1.008 429 T CB 2.037 70.946 68.868 0.068 0.000 1.129 429 T HN -0.113 nan 8.240 nan 0.000 0.480 430 V N 2.123 122.083 119.914 0.076 0.000 2.287 430 V HA -0.153 3.979 4.120 0.021 0.000 0.248 430 V C 2.274 178.416 176.094 0.080 0.000 1.053 430 V CA 1.907 64.248 62.300 0.068 0.000 1.027 430 V CB -0.579 31.274 31.823 0.050 0.000 0.646 430 V HN 0.838 nan 8.190 nan 0.000 0.447 431 E N -0.176 120.071 120.200 0.078 0.000 2.209 431 E HA -0.234 4.128 4.350 0.021 0.000 0.196 431 E C 2.202 178.873 176.600 0.117 0.000 0.993 431 E CA 1.351 57.800 56.400 0.082 0.000 0.819 431 E CB -0.171 29.569 29.700 0.066 0.000 0.745 431 E HN 0.707 nan 8.360 nan 0.000 0.477 432 E N 0.035 120.326 120.200 0.152 0.000 2.122 432 E HA -0.068 4.295 4.350 0.021 0.000 0.190 432 E C 1.903 178.739 176.600 0.394 0.000 0.977 432 E CA 0.388 56.930 56.400 0.237 0.000 0.820 432 E CB 0.068 29.887 29.700 0.199 0.000 0.770 432 E HN 0.252 nan 8.360 nan 0.000 0.462 433 I N 1.050 121.786 120.570 0.277 0.000 2.394 433 I HA -0.258 3.924 4.170 0.021 0.000 0.251 433 I C 2.213 178.396 176.117 0.111 0.000 1.136 433 I CA 0.736 62.102 61.300 0.111 0.000 1.425 433 I CB -0.021 37.992 38.000 0.021 0.000 1.079 433 I HN 0.222 nan 8.210 nan 0.000 0.425 434 L N 0.508 121.798 121.223 0.111 0.000 2.201 434 L HA -0.202 4.150 4.340 0.021 0.000 0.212 434 L C 2.609 179.545 176.870 0.109 0.000 1.105 434 L CA 1.053 55.943 54.840 0.083 0.000 0.775 434 L CB -0.551 41.548 42.059 0.066 0.000 0.913 434 L HN 0.254 nan 8.230 nan 0.000 0.440 435 K N 0.331 120.829 120.400 0.163 0.000 2.057 435 K HA -0.241 4.091 4.320 0.021 0.000 0.207 435 K C 2.227 178.934 176.600 0.178 0.000 1.049 435 K CA 1.540 57.928 56.287 0.168 0.000 0.931 435 K CB -0.183 32.440 32.500 0.203 0.000 0.714 435 K HN 0.101 nan 8.250 nan 0.000 0.440 436 F N 2.194 122.190 119.950 0.077 0.000 2.075 436 F HA -0.232 4.306 4.527 0.020 0.000 0.297 436 F C 1.976 177.746 175.800 -0.050 0.000 1.113 436 F CA 1.208 59.190 58.000 -0.032 0.000 1.218 436 F CB -0.221 38.608 39.000 -0.285 0.000 0.984 436 F HN -0.050 nan 8.300 nan 0.000 0.472 437 I N 0.689 121.255 120.570 -0.006 0.000 2.185 437 I HA -0.335 3.847 4.170 0.021 0.000 0.246 437 I C 2.750 178.820 176.117 -0.078 0.000 1.088 437 I CA 1.889 63.138 61.300 -0.085 0.000 1.347 437 I CB -2.060 35.921 38.000 -0.032 0.000 1.041 437 I HN 0.369 nan 8.210 nan 0.000 0.415 438 S N 1.191 116.882 115.700 -0.016 0.000 2.440 438 S HA -0.144 4.338 4.470 0.021 0.000 0.238 438 S C 1.390 176.020 174.600 0.050 0.000 1.010 438 S CA 1.182 59.401 58.200 0.031 0.000 0.972 438 S CB -0.498 62.734 63.200 0.053 0.000 0.774 438 S HN 0.486 nan 8.310 nan 0.000 0.501 439 N N 1.849 120.527 118.700 -0.036 0.000 2.280 439 N HA 0.093 4.845 4.740 0.021 0.000 0.192 439 N C 0.532 176.161 175.510 0.199 0.000 1.109 439 N CA 0.769 53.846 53.050 0.045 0.000 0.855 439 N CB 0.455 38.887 38.487 -0.092 0.000 0.974 439 N HN 0.766 nan 8.380 nan 0.000 0.482 440 T N -2.578 111.991 114.554 0.025 0.000 2.847 440 T HA 0.178 4.540 4.350 0.021 0.000 0.279 440 T C 1.023 175.585 174.700 -0.229 0.000 0.984 440 T CA -0.649 61.456 62.100 0.010 0.000 0.988 440 T CB 0.905 69.699 68.868 -0.124 0.000 1.040 440 T HN -0.077 nan 8.240 nan 0.000 0.528 441 F N 0.345 119.664 119.950 -1.051 0.000 2.293 441 F HA 0.053 4.593 4.527 0.022 0.000 0.300 441 F C 1.932 177.446 175.800 -0.477 0.000 1.086 441 F CA 0.133 57.274 58.000 -1.431 0.000 1.375 441 F CB -0.808 37.198 39.000 -1.656 0.000 1.045 441 F HN 0.805 nan 8.300 nan 0.000 0.516 442 Y N 0.456 120.512 120.300 -0.406 0.000 2.097 442 Y HA -0.202 4.360 4.550 0.020 0.000 0.282 442 Y C 2.474 178.213 175.900 -0.268 0.000 1.152 442 Y CA 2.205 60.124 58.100 -0.302 0.000 1.136 442 Y CB -0.731 37.629 38.460 -0.167 0.000 0.975 442 Y HN 0.016 nan 8.280 nan 0.000 0.498 443 A N -0.976 121.885 122.820 0.069 0.000 1.972 443 A HA -0.252 4.081 4.320 0.021 0.000 0.219 443 A C 2.075 179.610 177.584 -0.082 0.000 1.169 443 A CA 1.662 53.718 52.037 0.031 0.000 0.635 443 A CB -1.440 17.604 19.000 0.073 0.000 0.810 443 A HN 0.739 nan 8.150 nan 0.000 0.446 444 Y N 0.334 120.500 120.300 -0.224 0.000 2.314 444 Y HA -0.101 4.462 4.550 0.022 0.000 0.293 444 Y C 2.265 177.977 175.900 -0.313 0.000 1.129 444 Y CA 1.855 59.842 58.100 -0.187 0.000 1.201 444 Y CB -0.048 38.360 38.460 -0.087 0.000 0.999 444 Y HN 0.410 nan 8.280 nan 0.000 0.541 445 Q N 0.152 119.654 119.800 -0.496 0.000 2.444 445 Q HA 0.000 4.352 4.340 0.021 0.000 0.206 445 Q C 0.224 175.992 176.000 -0.386 0.000 0.948 445 Q CA 0.254 55.750 55.803 -0.513 0.000 0.946 445 Q CB 0.111 28.448 28.738 -0.668 0.000 1.027 445 Q HN 0.393 nan 8.270 nan 0.000 0.513 446 R N 0.454 120.742 120.500 -0.354 0.000 3.863 446 R HA -0.165 4.187 4.340 0.021 0.000 0.313 446 R C -0.405 175.734 176.300 -0.269 0.000 1.202 446 R CA 0.707 56.651 56.100 -0.260 0.000 0.852 446 R CB -1.603 28.565 30.300 -0.220 0.000 1.292 446 R HN 0.262 nan 8.270 nan 0.000 0.519 447 K N 1.666 121.807 120.400 -0.432 0.000 2.455 447 K HA -0.043 4.290 4.320 0.021 0.000 0.269 447 K C 0.177 176.565 176.600 -0.353 0.000 0.972 447 K CA 0.251 56.235 56.287 -0.504 0.000 0.938 447 K CB 0.213 32.119 32.500 -0.990 0.000 0.931 447 K HN 0.099 nan 8.250 nan 0.000 0.507 448 D N 2.435 122.716 120.400 -0.198 0.000 2.950 448 D HA -0.135 4.517 4.640 0.021 0.000 0.265 448 D C 1.067 177.440 176.300 0.121 0.000 1.405 448 D CA 0.612 54.603 54.000 -0.015 0.000 0.998 448 D CB 0.273 41.085 40.800 0.021 0.000 1.154 448 D HN 0.589 nan 8.370 nan 0.000 0.586 449 T N 1.496 116.122 114.554 0.120 0.000 2.857 449 T HA -0.244 4.119 4.350 0.021 0.000 0.266 449 T C 1.735 176.529 174.700 0.156 0.000 1.048 449 T CA 0.738 62.946 62.100 0.179 0.000 1.139 449 T CB -0.247 68.690 68.868 0.115 0.000 0.874 449 T HN 0.443 nan 8.240 nan 0.000 0.455 450 Y N 2.727 123.054 120.300 0.044 0.000 2.097 450 Y HA -0.143 4.419 4.550 0.021 0.000 0.282 450 Y C 2.822 178.738 175.900 0.026 0.000 1.152 450 Y CA 2.253 60.368 58.100 0.025 0.000 1.136 450 Y CB -0.840 37.626 38.460 0.010 0.000 0.975 450 Y HN 0.428 nan 8.280 nan 0.000 0.498 451 S N 0.008 115.688 115.700 -0.034 0.000 2.383 451 S HA -0.247 4.235 4.470 0.021 0.000 0.229 451 S C 1.985 176.500 174.600 -0.142 0.000 1.030 451 S CA 1.481 59.608 58.200 -0.122 0.000 1.002 451 S CB -1.191 62.026 63.200 0.028 0.000 0.829 451 S HN 0.471 nan 8.310 nan 0.000 0.467 452 L N 1.977 123.164 121.223 -0.060 0.000 2.056 452 L HA 0.072 4.425 4.340 0.021 0.000 0.207 452 L C 2.609 179.380 176.870 -0.165 0.000 1.078 452 L CA 2.190 56.944 54.840 -0.143 0.000 0.749 452 L CB -0.890 41.025 42.059 -0.240 0.000 0.901 452 L HN 0.462 nan 8.230 nan 0.000 0.433 453 E N -0.789 119.322 120.200 -0.148 0.000 2.085 453 E HA -0.242 4.120 4.350 0.021 0.000 0.194 453 E C 1.945 178.431 176.600 -0.190 0.000 0.994 453 E CA 1.392 57.708 56.400 -0.139 0.000 0.801 453 E CB -0.021 29.621 29.700 -0.097 0.000 0.743 453 E HN 0.541 nan 8.360 nan 0.000 0.453 454 E N 0.462 120.468 120.200 -0.324 0.000 2.106 454 E HA -0.153 4.210 4.350 0.021 0.000 0.192 454 E C 2.026 178.525 176.600 -0.168 0.000 0.984 454 E CA 0.703 56.928 56.400 -0.291 0.000 0.806 454 E CB -0.054 29.376 29.700 -0.450 0.000 0.750 454 E HN 0.240 nan 8.360 nan 0.000 0.458 455 K N 0.460 120.765 120.400 -0.159 0.000 2.147 455 K HA -0.066 4.267 4.320 0.021 0.000 0.205 455 K C 2.200 178.749 176.600 -0.085 0.000 1.049 455 K CA 0.686 56.906 56.287 -0.112 0.000 0.936 455 K CB -0.031 32.398 32.500 -0.118 0.000 0.722 455 K HN 0.111 nan 8.250 nan 0.000 0.446 456 I N 0.267 120.782 120.570 -0.091 0.000 2.333 456 I HA -0.229 3.953 4.170 0.021 0.000 0.246 456 I C 2.277 178.385 176.117 -0.016 0.000 1.106 456 I CA 0.928 62.192 61.300 -0.060 0.000 1.411 456 I CB -0.110 37.847 38.000 -0.071 0.000 1.082 456 I HN 0.109 nan 8.210 nan 0.000 0.420 457 R N 0.656 121.142 120.500 -0.023 0.000 2.081 457 R HA -0.141 4.211 4.340 0.021 0.000 0.235 457 R C 2.087 178.424 176.300 0.062 0.000 1.131 457 R CA 1.347 57.456 56.100 0.015 0.000 0.960 457 R CB -0.423 29.870 30.300 -0.012 0.000 0.856 457 R HN 0.406 nan 8.270 nan 0.000 0.436 458 N N 0.896 119.615 118.700 0.031 0.000 2.120 458 N HA -0.111 4.642 4.740 0.021 0.000 0.188 458 N C 1.882 177.496 175.510 0.173 0.000 1.024 458 N CA 1.142 54.241 53.050 0.080 0.000 0.852 458 N CB -0.100 38.395 38.487 0.013 0.000 1.003 458 N HN 0.218 nan 8.380 nan 0.000 0.424 459 I N 1.117 121.746 120.570 0.098 0.000 2.286 459 I HA -0.228 3.954 4.170 0.021 0.000 0.248 459 I C 2.066 178.303 176.117 0.200 0.000 1.115 459 I CA 0.731 62.105 61.300 0.125 0.000 1.392 459 I CB -0.142 37.868 38.000 0.017 0.000 1.065 459 I HN 0.081 nan 8.210 nan 0.000 0.418 460 L N -0.638 120.670 121.223 0.142 0.000 2.083 460 L HA -0.264 4.088 4.340 0.021 0.000 0.209 460 L C 2.650 179.608 176.870 0.146 0.000 1.083 460 L CA 1.465 56.378 54.840 0.121 0.000 0.752 460 L CB -0.720 41.394 42.059 0.091 0.000 0.899 460 L HN 0.271 nan 8.230 nan 0.000 0.433 461 Y N 0.136 120.488 120.300 0.086 0.000 2.181 461 Y HA -0.340 4.222 4.550 0.020 0.000 0.288 461 Y C 2.448 178.410 175.900 0.104 0.000 1.146 461 Y CA 1.622 59.769 58.100 0.078 0.000 1.164 461 Y CB -0.384 38.120 38.460 0.074 0.000 0.982 461 Y HN 0.126 nan 8.280 nan 0.000 0.515 462 F N 0.315 120.327 119.950 0.104 0.000 2.095 462 F HA -0.245 4.295 4.527 0.020 0.000 0.298 462 F C 1.813 177.616 175.800 0.005 0.000 1.104 462 F CA 1.931 59.957 58.000 0.044 0.000 1.232 462 F CB -0.694 38.363 39.000 0.095 0.000 0.987 462 F HN 0.047 nan 8.300 nan 0.000 0.475 463 L N -0.236 120.974 121.223 -0.022 0.000 2.083 463 L HA -0.180 4.173 4.340 0.021 0.000 0.209 463 L C 2.404 179.231 176.870 -0.073 0.000 1.083 463 L CA 0.903 55.721 54.840 -0.036 0.000 0.752 463 L CB -0.802 41.300 42.059 0.071 0.000 0.899 463 L HN 0.323 nan 8.230 nan 0.000 0.433 464 L N -0.569 120.581 121.223 -0.122 0.000 2.141 464 L HA -0.130 4.222 4.340 0.021 0.000 0.209 464 L C 2.462 179.177 176.870 -0.259 0.000 1.094 464 L CA 1.726 56.472 54.840 -0.156 0.000 0.763 464 L CB -0.571 41.404 42.059 -0.140 0.000 0.908 464 L HN 0.155 nan 8.230 nan 0.000 0.437 465 E N -0.064 119.899 120.200 -0.394 0.000 2.072 465 E HA -0.107 4.256 4.350 0.021 0.000 0.190 465 E C 1.471 177.863 176.600 -0.346 0.000 0.982 465 E CA 0.889 57.050 56.400 -0.398 0.000 0.803 465 E CB -0.227 29.191 29.700 -0.469 0.000 0.755 465 E HN 0.627 nan 8.360 nan 0.000 0.453 466 N N 1.211 119.654 118.700 -0.428 0.000 2.449 466 N HA -0.051 4.701 4.740 0.021 0.000 0.191 466 N C -0.561 174.634 175.510 -0.525 0.000 1.161 466 N CA 0.209 52.975 53.050 -0.473 0.000 0.863 466 N CB 0.318 38.456 38.487 -0.582 0.000 0.980 466 N HN 0.234 nan 8.380 nan 0.000 0.458 467 E N -1.235 118.751 120.200 -0.357 0.000 2.553 467 E HA -0.221 4.142 4.350 0.021 0.000 0.264 467 E C -0.135 176.274 176.600 -0.318 0.000 1.068 467 E CA 0.221 56.441 56.400 -0.300 0.000 0.774 467 E CB -2.118 27.407 29.700 -0.293 0.000 1.349 467 E HN 0.400 nan 8.360 nan 0.000 0.404 468 F N -0.058 119.790 119.950 -0.169 0.000 2.446 468 F HA 0.242 4.781 4.527 0.021 0.000 0.292 468 F C 1.574 177.322 175.800 -0.086 0.000 1.096 468 F CA 0.765 58.693 58.000 -0.121 0.000 1.438 468 F CB 0.426 39.355 39.000 -0.118 0.000 1.107 468 F HN 0.154 nan 8.300 nan 0.000 0.546 469 I N -1.908 118.719 120.570 0.095 0.000 3.264 469 I HA 0.566 4.748 4.170 0.021 0.000 0.315 469 I C -1.220 174.893 176.117 -0.006 0.000 1.154 469 I CA -1.009 60.316 61.300 0.042 0.000 0.962 469 I CB 2.387 40.416 38.000 0.048 0.000 1.265 469 I HN -0.041 nan 8.210 nan 0.000 0.463 470 E N 2.308 122.506 120.200 -0.004 0.000 2.367 470 E HA 0.733 5.095 4.350 0.021 0.000 0.273 470 E C -1.701 174.897 176.600 -0.002 0.000 0.903 470 E CA -0.924 55.466 56.400 -0.016 0.000 0.764 470 E CB 3.056 32.744 29.700 -0.020 0.000 1.252 470 E HN 0.675 nan 8.360 nan 0.000 0.446 471 I N 1.116 121.683 120.570 -0.004 0.000 3.002 471 I HA 0.409 4.591 4.170 0.021 0.000 0.310 471 I C -0.383 175.738 176.117 0.006 0.000 1.087 471 I CA -1.004 60.301 61.300 0.008 0.000 1.017 471 I CB 2.391 40.401 38.000 0.017 0.000 1.226 471 I HN 0.791 nan 8.210 nan 0.000 0.443 472 S N 2.802 118.510 115.700 0.012 0.000 2.638 472 S HA 0.538 5.021 4.470 0.021 0.000 0.302 472 S C 0.445 175.054 174.600 0.015 0.000 1.096 472 S CA -0.877 57.329 58.200 0.011 0.000 0.953 472 S CB 1.707 64.912 63.200 0.010 0.000 1.107 472 S HN 0.583 nan 8.310 nan 0.000 0.503 473 L N 0.293 121.524 121.223 0.013 0.000 2.456 473 L HA 0.027 4.380 4.340 0.021 0.000 0.224 473 L C 2.831 179.711 176.870 0.017 0.000 1.148 473 L CA 1.569 56.418 54.840 0.016 0.000 0.825 473 L CB -1.026 41.041 42.059 0.013 0.000 0.937 473 L HN 1.021 nan 8.230 nan 0.000 0.450 474 E N -1.044 119.166 120.200 0.016 0.000 2.442 474 E HA -0.090 4.273 4.350 0.021 0.000 0.195 474 E C 0.616 177.229 176.600 0.022 0.000 1.030 474 E CA 0.688 57.098 56.400 0.017 0.000 0.869 474 E CB -0.135 29.574 29.700 0.015 0.000 0.857 474 E HN 0.505 nan 8.360 nan 0.000 0.505 475 D N -0.924 119.490 120.400 0.023 0.000 2.988 475 D HA -0.108 4.544 4.640 0.021 0.000 0.221 475 D C -0.297 176.021 176.300 0.030 0.000 1.122 475 D CA 1.259 55.276 54.000 0.029 0.000 0.821 475 D CB -1.395 39.425 40.800 0.033 0.000 1.098 475 D HN 0.403 nan 8.370 nan 0.000 0.433 476 K N 0.789 121.204 120.400 0.025 0.000 2.285 476 K HA 0.454 4.786 4.320 0.021 0.000 0.286 476 K C 0.103 176.719 176.600 0.026 0.000 1.072 476 K CA -0.261 56.041 56.287 0.025 0.000 0.913 476 K CB 0.421 32.932 32.500 0.019 0.000 1.067 476 K HN 0.166 nan 8.250 nan 0.000 0.479 477 I N 5.176 125.767 120.570 0.035 0.000 2.342 477 I HA 0.357 4.540 4.170 0.021 0.000 0.291 477 I C 0.316 176.454 176.117 0.035 0.000 1.010 477 I CA -0.408 60.913 61.300 0.036 0.000 1.308 477 I CB 1.025 39.054 38.000 0.048 0.000 1.400 477 I HN 0.379 nan 8.210 nan 0.000 0.488 478 R N 6.899 127.415 120.500 0.026 0.000 2.673 478 R HA 0.517 4.869 4.340 0.021 0.000 0.281 478 R C -2.750 173.564 176.300 0.022 0.000 0.991 478 R CA -1.739 54.375 56.100 0.023 0.000 0.896 478 R CB 2.382 32.690 30.300 0.013 0.000 1.201 478 R HN 0.340 nan 8.270 nan 0.000 0.457 479 P HA 0.310 nan 4.420 nan 0.000 0.279 479 P C -0.799 176.512 177.300 0.017 0.000 1.252 479 P CA -0.418 62.699 63.100 0.028 0.000 0.811 479 P CB 1.226 32.944 31.700 0.029 0.000 1.035 480 L N 0.230 121.465 121.223 0.021 0.000 2.298 480 L HA 0.325 4.677 4.340 0.021 0.000 0.268 480 L C 2.074 178.949 176.870 0.009 0.000 1.010 480 L CA -0.703 54.137 54.840 0.000 0.000 0.812 480 L CB 0.680 42.724 42.059 -0.026 0.000 1.331 480 L HN 0.288 nan 8.230 nan 0.000 0.450 481 S N 0.341 116.037 115.700 -0.006 0.000 2.368 481 S HA -0.230 4.253 4.470 0.021 0.000 0.226 481 S C 1.566 176.175 174.600 0.014 0.000 1.044 481 S CA 1.785 59.986 58.200 0.002 0.000 1.062 481 S CB -0.375 62.818 63.200 -0.011 0.000 0.931 481 S HN 0.541 nan 8.310 nan 0.000 0.440 482 L N 1.865 123.079 121.223 -0.015 0.000 2.079 482 L HA -0.028 4.324 4.340 0.021 0.000 0.210 482 L C 2.160 179.143 176.870 0.188 0.000 1.081 482 L CA 1.977 56.819 54.840 0.002 0.000 0.752 482 L CB -1.322 40.617 42.059 -0.200 0.000 0.896 482 L HN 0.302 nan 8.230 nan 0.000 0.433 483 G N -0.228 108.690 108.800 0.196 0.000 2.484 483 G HA2 -0.251 3.721 3.960 0.021 0.000 0.215 483 G HA3 -0.251 3.721 3.960 0.021 0.000 0.215 483 G C 1.620 176.589 174.900 0.115 0.000 1.219 483 G CA 1.093 46.341 45.100 0.247 0.000 0.791 483 G HN 0.442 nan 8.290 nan 0.000 0.550 484 I N 0.358 120.964 120.570 0.061 0.000 2.151 484 I HA -0.239 3.943 4.170 0.021 0.000 0.243 484 I C 2.890 179.025 176.117 0.031 0.000 1.080 484 I CA 1.565 62.877 61.300 0.019 0.000 1.339 484 I CB -0.205 37.800 38.000 0.008 0.000 1.039 484 I HN 0.077 nan 8.210 nan 0.000 0.409 485 R N 0.700 121.238 120.500 0.062 0.000 2.081 485 R HA -0.137 4.215 4.340 0.021 0.000 0.235 485 R C 2.291 178.655 176.300 0.108 0.000 1.131 485 R CA 2.118 58.267 56.100 0.083 0.000 0.960 485 R CB -0.821 29.522 30.300 0.072 0.000 0.856 485 R HN 0.275 nan 8.270 nan 0.000 0.436 486 T N 0.164 114.793 114.554 0.125 0.000 2.674 486 T HA -0.142 4.220 4.350 0.021 0.000 0.265 486 T C 1.784 176.520 174.700 0.060 0.000 1.039 486 T CA 1.561 63.732 62.100 0.118 0.000 1.150 486 T CB -0.563 68.386 68.868 0.134 0.000 0.864 486 T HN 0.430 nan 8.240 nan 0.000 0.427 487 A N 1.568 124.393 122.820 0.007 0.000 1.940 487 A HA -0.162 4.170 4.320 0.021 0.000 0.219 487 A C 2.206 179.778 177.584 -0.020 0.000 1.176 487 A CA 1.687 53.700 52.037 -0.040 0.000 0.631 487 A CB -0.439 18.522 19.000 -0.066 0.000 0.814 487 A HN 0.471 nan 8.150 nan 0.000 0.446 488 K N -0.797 119.590 120.400 -0.021 0.000 2.365 488 K HA 0.208 4.540 4.320 0.021 0.000 0.197 488 K C 1.382 178.146 176.600 0.274 0.000 1.042 488 K CA 0.441 56.681 56.287 -0.079 0.000 0.987 488 K CB -0.103 32.354 32.500 -0.072 0.000 0.779 488 K HN 0.451 nan 8.250 nan 0.000 0.484 489 L N -0.732 120.678 121.223 0.311 0.000 2.509 489 L HA -0.006 4.346 4.340 0.021 0.000 0.222 489 L C 0.447 177.716 176.870 0.665 0.000 1.123 489 L CA 0.259 55.394 54.840 0.490 0.000 0.856 489 L CB -0.058 42.217 42.059 0.360 0.000 0.985 489 L HN 0.228 nan 8.230 nan 0.000 0.456 490 Y N -0.068 120.400 120.300 0.280 0.000 4.916 490 Y HA -0.304 4.259 4.550 0.022 0.000 0.247 490 Y C 0.811 176.915 175.900 0.340 0.000 0.962 490 Y CA 0.293 58.516 58.100 0.205 0.000 1.933 490 Y CB -1.445 37.022 38.460 0.012 0.000 1.451 490 Y HN 0.216 nan 8.280 nan 0.000 0.539 491 I N -1.055 119.726 120.570 0.352 0.000 2.823 491 I HA 0.242 4.424 4.170 0.021 0.000 0.290 491 I C 0.874 176.973 176.117 -0.030 0.000 1.091 491 I CA -0.286 61.106 61.300 0.154 0.000 1.365 491 I CB 0.504 38.471 38.000 -0.056 0.000 1.427 491 I HN 0.104 nan 8.210 nan 0.000 0.583 492 D N 4.520 124.882 120.400 -0.063 0.000 2.424 492 D HA 0.117 4.770 4.640 0.021 0.000 0.244 492 D C -1.759 174.476 176.300 -0.108 0.000 1.134 492 D CA -1.652 52.292 54.000 -0.094 0.000 0.881 492 D CB 1.688 42.454 40.800 -0.057 0.000 1.191 492 D HN 0.341 nan 8.370 nan 0.000 0.445 493 P HA -0.155 nan 4.420 nan 0.000 0.218 493 P C 0.988 178.285 177.300 -0.005 0.000 1.146 493 P CA 1.039 63.972 63.100 -0.278 0.000 0.813 493 P CB -0.031 31.433 31.700 -0.394 0.000 0.778 494 Y N -0.068 120.215 120.300 -0.029 0.000 2.314 494 Y HA -0.189 4.373 4.550 0.020 0.000 0.293 494 Y C 2.479 178.356 175.900 -0.037 0.000 1.129 494 Y CA 1.937 60.071 58.100 0.056 0.000 1.201 494 Y CB -0.580 37.834 38.460 -0.076 0.000 0.999 494 Y HN 0.027 nan 8.280 nan 0.000 0.541 495 T N -2.097 112.444 114.554 -0.020 0.000 2.904 495 T HA -0.109 4.253 4.350 0.021 0.000 0.267 495 T C 2.001 176.315 174.700 -0.643 0.000 1.059 495 T CA 0.979 62.865 62.100 -0.356 0.000 1.137 495 T CB -0.566 68.000 68.868 -0.504 0.000 0.879 495 T HN 0.298 nan 8.240 nan 0.000 0.467 496 A N 2.114 124.760 122.820 -0.290 0.000 1.898 496 A HA -0.005 4.327 4.320 0.021 0.000 0.216 496 A C 2.436 180.046 177.584 0.044 0.000 1.181 496 A CA 1.738 53.736 52.037 -0.065 0.000 0.620 496 A CB -0.764 18.387 19.000 0.252 0.000 0.819 496 A HN 0.503 nan 8.150 nan 0.000 0.442 497 K N -0.405 120.064 120.400 0.115 0.000 2.063 497 K HA -0.123 4.209 4.320 0.021 0.000 0.208 497 K C 1.972 178.535 176.600 -0.061 0.000 1.048 497 K CA 1.894 58.173 56.287 -0.014 0.000 0.928 497 K CB -0.326 32.117 32.500 -0.096 0.000 0.713 497 K HN 0.543 nan 8.250 nan 0.000 0.442 498 M N -0.507 119.066 119.600 -0.044 0.000 2.296 498 M HA -0.078 4.414 4.480 0.021 0.000 0.265 498 M C 1.984 178.429 176.300 0.241 0.000 1.064 498 M CA 1.426 56.794 55.300 0.114 0.000 1.109 498 M CB -0.179 32.541 32.600 0.201 0.000 1.396 498 M HN 0.111 nan 8.290 nan 0.000 0.430 499 F N 0.076 120.046 119.950 0.034 0.000 2.149 499 F HA -0.176 4.363 4.527 0.020 0.000 0.294 499 F C 2.619 178.375 175.800 -0.073 0.000 1.095 499 F CA 0.588 58.582 58.000 -0.010 0.000 1.276 499 F CB -0.255 38.735 39.000 -0.017 0.000 1.023 499 F HN 0.099 nan 8.300 nan 0.000 0.480 500 K N 0.830 121.294 120.400 0.106 0.000 2.032 500 K HA -0.215 4.118 4.320 0.021 0.000 0.209 500 K C 1.381 177.938 176.600 -0.072 0.000 1.048 500 K CA 2.145 58.404 56.287 -0.045 0.000 0.927 500 K CB -0.183 32.226 32.500 -0.151 0.000 0.712 500 K HN 0.054 nan 8.250 nan 0.000 0.441 501 D N 0.437 120.805 120.400 -0.053 0.000 2.178 501 D HA -0.102 4.550 4.640 0.021 0.000 0.201 501 D C 1.332 177.580 176.300 -0.087 0.000 0.980 501 D CA 1.010 54.970 54.000 -0.067 0.000 0.842 501 D CB 0.156 40.934 40.800 -0.037 0.000 0.948 501 D HN 0.133 nan 8.370 nan 0.000 0.472 502 K N -0.221 120.134 120.400 -0.075 0.000 2.358 502 K HA 0.160 4.492 4.320 0.021 0.000 0.197 502 K C 1.480 177.941 176.600 -0.233 0.000 1.025 502 K CA -0.226 55.963 56.287 -0.164 0.000 1.104 502 K CB 0.297 32.711 32.500 -0.144 0.000 0.855 502 K HN 0.074 nan 8.250 nan 0.000 0.531 503 M N 2.208 121.706 119.600 -0.169 0.000 2.195 503 M HA -0.211 4.282 4.480 0.021 0.000 0.260 503 M C 2.049 178.213 176.300 -0.227 0.000 1.066 503 M CA 2.250 57.430 55.300 -0.199 0.000 1.089 503 M CB -0.440 32.069 32.600 -0.152 0.000 1.377 503 M HN 0.285 nan 8.290 nan 0.000 0.411 504 E N -0.306 119.775 120.200 -0.198 0.000 2.106 504 E HA -0.165 4.197 4.350 0.021 0.000 0.192 504 E C 1.766 178.234 176.600 -0.220 0.000 0.984 504 E CA 1.586 57.880 56.400 -0.176 0.000 0.806 504 E CB -0.869 28.751 29.700 -0.133 0.000 0.750 504 E HN 0.681 nan 8.360 nan 0.000 0.458 505 E N 0.266 120.287 120.200 -0.298 0.000 2.072 505 E HA -0.076 4.286 4.350 0.021 0.000 0.191 505 E C 2.392 178.634 176.600 -0.597 0.000 0.985 505 E CA 1.220 57.397 56.400 -0.371 0.000 0.801 505 E CB -0.364 29.100 29.700 -0.393 0.000 0.750 505 E HN 0.433 nan 8.360 nan 0.000 0.452 506 V N 1.373 120.805 119.914 -0.803 0.000 2.343 506 V HA -0.175 3.957 4.120 0.021 0.000 0.247 506 V C 2.504 178.397 176.094 -0.335 0.000 1.051 506 V CA 1.568 63.444 62.300 -0.706 0.000 1.036 506 V CB -0.504 31.012 31.823 -0.512 0.000 0.654 506 V HN 0.122 nan 8.190 nan 0.000 0.451 507 V N -0.552 119.201 119.914 -0.268 0.000 2.667 507 V HA -0.152 3.980 4.120 0.021 0.000 0.252 507 V C 2.339 178.337 176.094 -0.160 0.000 1.065 507 V CA 1.822 64.008 62.300 -0.190 0.000 1.083 507 V CB -0.378 31.355 31.823 -0.151 0.000 0.692 507 V HN 0.539 nan 8.190 nan 0.000 0.468 508 K N -0.229 120.077 120.400 -0.157 0.000 2.155 508 K HA -0.036 4.296 4.320 0.021 0.000 0.203 508 K C 0.453 177.004 176.600 -0.081 0.000 1.052 508 K CA 1.318 57.542 56.287 -0.104 0.000 0.948 508 K CB 0.072 32.520 32.500 -0.086 0.000 0.728 508 K HN 0.501 nan 8.250 nan 0.000 0.448 509 D N -0.006 120.349 120.400 -0.074 0.000 2.714 509 D HA 0.151 4.803 4.640 0.021 0.000 0.264 509 D C -2.903 173.395 176.300 -0.003 0.000 1.231 509 D CA -1.926 52.065 54.000 -0.016 0.000 0.802 509 D CB 0.890 41.737 40.800 0.079 0.000 1.319 509 D HN -0.207 nan 8.370 nan 0.000 0.528 510 P HA 0.221 nan 4.420 nan 0.000 0.269 510 P C -1.039 176.107 177.300 -0.258 0.000 1.252 510 P CA -0.090 62.822 63.100 -0.314 0.000 0.780 510 P CB 0.168 31.391 31.700 -0.795 0.000 0.829 511 N N 2.167 120.876 118.700 0.014 0.000 2.396 511 N HA 0.427 5.180 4.740 0.021 0.000 0.275 511 N C -2.664 172.810 175.510 -0.060 0.000 1.218 511 N CA -2.047 51.016 53.050 0.021 0.000 0.812 511 N CB 1.033 39.490 38.487 -0.051 0.000 1.592 511 N HN -0.133 nan 8.380 nan 0.000 0.480 512 P HA -0.173 nan 4.420 nan 0.000 0.213 512 P C 1.299 178.241 177.300 -0.598 0.000 1.176 512 P CA 0.982 63.721 63.100 -0.602 0.000 0.919 512 P CB 0.095 31.532 31.700 -0.439 0.000 0.791 513 I N -0.594 119.805 120.570 -0.284 0.000 2.113 513 I HA -0.231 3.951 4.170 0.021 0.000 0.242 513 I C 2.407 178.463 176.117 -0.101 0.000 1.064 513 I CA 2.470 63.696 61.300 -0.123 0.000 1.320 513 I CB -2.059 35.886 38.000 -0.091 0.000 1.028 513 I HN 0.064 nan 8.210 nan 0.000 0.406 514 G N 0.850 109.504 108.800 -0.242 0.000 2.459 514 G HA2 -0.230 3.742 3.960 0.021 0.000 0.217 514 G HA3 -0.230 3.742 3.960 0.021 0.000 0.217 514 G C 1.804 176.594 174.900 -0.184 0.000 1.183 514 G CA 0.860 45.637 45.100 -0.540 0.000 0.776 514 G HN 0.380 nan 8.290 nan 0.000 0.552 515 I N -0.230 120.349 120.570 0.014 0.000 2.142 515 I HA -0.112 4.070 4.170 0.021 0.000 0.240 515 I C 2.620 178.885 176.117 0.248 0.000 1.078 515 I CA 1.002 62.405 61.300 0.171 0.000 1.343 515 I CB -0.404 37.631 38.000 0.058 0.000 1.046 515 I HN 0.153 nan 8.210 nan 0.000 0.405 516 F N -0.025 119.975 119.950 0.082 0.000 2.126 516 F HA -0.326 4.214 4.527 0.021 0.000 0.299 516 F C 2.815 178.641 175.800 0.044 0.000 1.096 516 F CA 1.311 59.340 58.000 0.049 0.000 1.255 516 F CB -0.623 38.389 39.000 0.021 0.000 0.997 516 F HN 0.287 nan 8.300 nan 0.000 0.479 517 H N 0.921 120.091 119.070 0.167 0.000 2.293 517 H HA -0.197 4.371 4.556 0.021 0.000 0.300 517 H C 2.287 177.664 175.328 0.082 0.000 1.082 517 H CA 1.836 57.914 56.048 0.051 0.000 1.308 517 H CB -0.539 29.236 29.762 0.021 0.000 1.375 517 H HN 0.288 nan 8.280 nan 0.000 0.495 518 L N 2.073 123.445 121.223 0.248 0.000 1.990 518 L HA -0.202 4.151 4.340 0.021 0.000 0.213 518 L C 2.799 179.827 176.870 0.264 0.000 1.072 518 L CA 2.246 57.302 54.840 0.360 0.000 0.755 518 L CB -0.974 41.409 42.059 0.541 0.000 0.889 518 L HN 0.528 nan 8.230 nan 0.000 0.432 519 I N -3.492 117.241 120.570 0.271 0.000 2.315 519 I HA -0.160 4.022 4.170 0.021 0.000 0.248 519 I C 1.958 178.128 176.117 0.089 0.000 1.117 519 I CA 1.595 63.060 61.300 0.275 0.000 1.404 519 I CB -0.843 37.299 38.000 0.236 0.000 1.071 519 I HN 0.153 nan 8.210 nan 0.000 0.419 520 S N 1.119 116.819 115.700 -0.000 0.000 2.603 520 S HA 0.079 4.562 4.470 0.021 0.000 0.229 520 S C 1.453 175.955 174.600 -0.163 0.000 0.972 520 S CA 0.563 58.704 58.200 -0.099 0.000 0.935 520 S CB -0.219 62.908 63.200 -0.122 0.000 0.769 520 S HN 0.385 nan 8.310 nan 0.000 0.536 521 L N 1.542 122.663 121.223 -0.169 0.000 2.664 521 L HA 0.232 4.584 4.340 0.021 0.000 0.233 521 L C 1.072 177.885 176.870 -0.095 0.000 1.113 521 L CA 0.442 55.154 54.840 -0.214 0.000 0.896 521 L CB -0.246 41.586 42.059 -0.379 0.000 1.163 521 L HN 0.229 nan 8.230 nan 0.000 0.497 522 T N -4.139 110.389 114.554 -0.042 0.000 2.847 522 T HA 0.304 4.666 4.350 0.021 0.000 0.279 522 T C -1.676 172.983 174.700 -0.067 0.000 0.984 522 T CA -1.540 60.535 62.100 -0.041 0.000 0.988 522 T CB 0.808 69.625 68.868 -0.086 0.000 1.040 522 T HN -0.146 nan 8.240 nan 0.000 0.528 523 P HA 0.041 nan 4.420 nan 0.000 0.225 523 P C 0.494 177.778 177.300 -0.026 0.000 1.148 523 P CA 0.682 63.739 63.100 -0.071 0.000 0.779 523 P CB 0.035 31.683 31.700 -0.088 0.000 0.780 524 D N -0.466 119.920 120.400 -0.024 0.000 2.413 524 D HA 0.180 4.832 4.640 0.021 0.000 0.237 524 D C 0.487 176.839 176.300 0.087 0.000 1.171 524 D CA 0.388 54.422 54.000 0.056 0.000 0.839 524 D CB 0.219 41.004 40.800 -0.025 0.000 0.950 524 D HN 0.252 nan 8.370 nan 0.000 0.499 525 I N -0.804 119.780 120.570 0.024 0.000 2.842 525 I HA 0.072 4.255 4.170 0.021 0.000 0.297 525 I C -1.250 174.837 176.117 -0.049 0.000 1.380 525 I CA -0.344 60.956 61.300 -0.000 0.000 1.018 525 I CB 2.478 40.456 38.000 -0.037 0.000 1.311 525 I HN -0.376 nan 8.210 nan 0.000 0.439 526 T N 7.159 121.665 114.554 -0.080 0.000 2.874 526 T HA 0.438 4.800 4.350 0.021 0.000 0.321 526 T C -2.508 172.078 174.700 -0.191 0.000 1.075 526 T CA -0.979 61.061 62.100 -0.099 0.000 0.966 526 T CB 0.926 69.755 68.868 -0.065 0.000 1.001 526 T HN 0.279 nan 8.240 nan 0.000 0.476 527 P HA 0.167 nan 4.420 nan 0.000 0.269 527 P C -0.206 177.003 177.300 -0.151 0.000 1.215 527 P CA -0.376 62.600 63.100 -0.206 0.000 0.780 527 P CB 0.363 32.017 31.700 -0.077 0.000 0.898 528 F N 0.886 120.840 119.950 0.007 0.000 2.506 528 F HA 0.051 4.590 4.527 0.020 0.000 0.351 528 F C 1.614 177.449 175.800 0.058 0.000 1.136 528 F CA 0.159 58.171 58.000 0.020 0.000 1.298 528 F CB 0.227 39.243 39.000 0.027 0.000 1.145 528 F HN 0.246 nan 8.300 nan 0.000 0.593 529 N N 0.937 119.775 118.700 0.231 0.000 2.434 529 N HA 0.276 5.029 4.740 0.021 0.000 0.266 529 N C -1.154 174.448 175.510 0.153 0.000 1.223 529 N CA -0.277 52.810 53.050 0.061 0.000 0.972 529 N CB 1.421 39.891 38.487 -0.029 0.000 1.207 529 N HN 0.512 nan 8.380 nan 0.000 0.525 530 Y N -2.498 117.892 120.300 0.151 0.000 2.553 530 Y HA 0.578 5.140 4.550 0.020 0.000 0.347 530 Y C -0.129 175.840 175.900 0.116 0.000 1.019 530 Y CA -1.322 56.872 58.100 0.156 0.000 1.032 530 Y CB 0.393 38.993 38.460 0.232 0.000 1.284 530 Y HN 0.420 nan 8.280 nan 0.000 0.466 531 S N 1.389 117.273 115.700 0.307 0.000 2.730 531 S HA 0.403 4.885 4.470 0.021 0.000 0.284 531 S C 0.566 175.343 174.600 0.294 0.000 1.153 531 S CA -0.923 57.394 58.200 0.196 0.000 0.995 531 S CB 1.461 64.733 63.200 0.119 0.000 1.058 531 S HN 0.714 nan 8.310 nan 0.000 0.552 532 K N 0.771 121.278 120.400 0.178 0.000 2.103 532 K HA -0.157 4.175 4.320 0.021 0.000 0.207 532 K C 2.823 179.539 176.600 0.193 0.000 1.048 532 K CA 1.635 58.027 56.287 0.175 0.000 0.930 532 K CB -1.126 31.427 32.500 0.089 0.000 0.716 532 K HN 0.742 nan 8.250 nan 0.000 0.444 533 R N 2.495 123.081 120.500 0.142 0.000 2.070 533 R HA -0.183 4.169 4.340 0.021 0.000 0.232 533 R C 2.147 178.511 176.300 0.107 0.000 1.138 533 R CA 2.103 58.265 56.100 0.105 0.000 0.936 533 R CB -1.510 28.832 30.300 0.070 0.000 0.839 533 R HN 0.731 nan 8.270 nan 0.000 0.429 534 E N -0.911 119.367 120.200 0.129 0.000 2.274 534 E HA -0.099 4.263 4.350 0.021 0.000 0.194 534 E C 1.907 178.544 176.600 0.062 0.000 0.996 534 E CA 0.806 57.261 56.400 0.091 0.000 0.840 534 E CB -0.444 29.323 29.700 0.110 0.000 0.772 534 E HN 0.517 nan 8.360 nan 0.000 0.491 535 F N 2.761 122.709 119.950 -0.003 0.000 2.225 535 F HA -0.277 4.262 4.527 0.020 0.000 0.302 535 F C 2.393 178.102 175.800 -0.151 0.000 1.068 535 F CA 2.279 60.175 58.000 -0.173 0.000 1.327 535 F CB -0.672 38.246 39.000 -0.136 0.000 1.043 535 F HN 0.211 nan 8.300 nan 0.000 0.506 536 E N 1.207 121.278 120.200 -0.215 0.000 2.031 536 E HA -0.231 4.131 4.350 0.021 0.000 0.193 536 E C 2.248 178.676 176.600 -0.286 0.000 0.994 536 E CA 1.792 58.038 56.400 -0.256 0.000 0.800 536 E CB -0.919 28.739 29.700 -0.070 0.000 0.752 536 E HN 0.582 nan 8.360 nan 0.000 0.447 537 R N -0.275 120.123 120.500 -0.169 0.000 2.096 537 R HA 0.027 4.379 4.340 0.021 0.000 0.235 537 R C 2.708 178.946 176.300 -0.105 0.000 1.127 537 R CA 1.332 57.367 56.100 -0.109 0.000 0.968 537 R CB -0.577 29.690 30.300 -0.056 0.000 0.861 537 R HN 0.396 nan 8.270 nan 0.000 0.440 538 L N 0.808 121.935 121.223 -0.160 0.000 2.042 538 L HA -0.195 4.157 4.340 0.021 0.000 0.210 538 L C 2.512 179.331 176.870 -0.086 0.000 1.076 538 L CA 1.443 56.267 54.840 -0.027 0.000 0.749 538 L CB -0.413 41.587 42.059 -0.098 0.000 0.893 538 L HN 0.267 nan 8.230 nan 0.000 0.432 539 E N -0.378 119.546 120.200 -0.460 0.000 2.077 539 E HA -0.221 4.141 4.350 0.021 0.000 0.193 539 E C 2.136 178.790 176.600 0.090 0.000 0.989 539 E CA 1.102 57.359 56.400 -0.238 0.000 0.800 539 E CB 0.133 29.556 29.700 -0.461 0.000 0.746 539 E HN 0.407 nan 8.360 nan 0.000 0.452 540 E N 0.734 120.919 120.200 -0.024 0.000 2.031 540 E HA -0.184 4.178 4.350 0.021 0.000 0.193 540 E C 1.942 178.500 176.600 -0.070 0.000 0.994 540 E CA 1.009 57.406 56.400 -0.006 0.000 0.800 540 E CB -0.298 29.367 29.700 -0.058 0.000 0.752 540 E HN 0.369 nan 8.360 nan 0.000 0.447 541 E N -0.008 120.137 120.200 -0.092 0.000 2.085 541 E HA -0.212 4.151 4.350 0.021 0.000 0.194 541 E C 1.998 178.437 176.600 -0.267 0.000 0.994 541 E CA 1.068 57.322 56.400 -0.243 0.000 0.801 541 E CB -0.335 29.392 29.700 0.044 0.000 0.743 541 E HN 0.243 nan 8.360 nan 0.000 0.453 542 Y N 0.815 120.938 120.300 -0.296 0.000 2.014 542 Y HA -0.346 4.216 4.550 0.020 0.000 0.270 542 Y C 1.895 177.558 175.900 -0.394 0.000 1.145 542 Y CA 1.802 59.494 58.100 -0.680 0.000 1.106 542 Y CB -0.981 37.113 38.460 -0.610 0.000 0.968 542 Y HN 0.028 nan 8.280 nan 0.000 0.484 543 Y N 0.381 120.379 120.300 -0.504 0.000 2.365 543 Y HA -0.233 4.329 4.550 0.021 0.000 0.287 543 Y C 2.430 178.128 175.900 -0.336 0.000 1.162 543 Y CA 1.655 59.477 58.100 -0.464 0.000 1.260 543 Y CB -0.281 38.108 38.460 -0.119 0.000 0.976 543 Y HN 0.292 nan 8.280 nan 0.000 0.548 544 E N -0.716 119.340 120.200 -0.240 0.000 2.230 544 E HA 0.008 4.371 4.350 0.021 0.000 0.192 544 E C 0.698 177.287 176.600 -0.020 0.000 0.987 544 E CA 0.937 57.204 56.400 -0.222 0.000 0.841 544 E CB -0.151 29.262 29.700 -0.479 0.000 0.783 544 E HN 0.516 nan 8.360 nan 0.000 0.481 545 F N -0.234 119.641 119.950 -0.124 0.000 2.735 545 F HA 0.190 4.730 4.527 0.020 0.000 0.308 545 F C 1.357 177.027 175.800 -0.217 0.000 1.112 545 F CA -0.590 57.361 58.000 -0.082 0.000 1.235 545 F CB 0.494 39.555 39.000 0.101 0.000 1.027 545 F HN -0.031 nan 8.300 nan 0.000 0.528 546 K N 0.448 120.666 120.400 -0.303 0.000 2.281 546 K HA -0.196 4.136 4.320 0.021 0.000 0.203 546 K C 1.029 177.554 176.600 -0.125 0.000 1.046 546 K CA 1.893 57.926 56.287 -0.423 0.000 0.938 546 K CB -0.434 31.664 32.500 -0.669 0.000 0.737 546 K HN 0.291 nan 8.250 nan 0.000 0.458 547 D N 1.632 122.002 120.400 -0.049 0.000 2.178 547 D HA -0.176 4.476 4.640 0.021 0.000 0.202 547 D C 1.593 177.887 176.300 -0.010 0.000 0.974 547 D CA 0.885 54.880 54.000 -0.009 0.000 0.841 547 D CB -0.222 40.584 40.800 0.010 0.000 0.953 547 D HN 0.376 nan 8.370 nan 0.000 0.478 548 R N 0.003 120.484 120.500 -0.031 0.000 2.275 548 R HA 0.240 4.593 4.340 0.021 0.000 0.199 548 R C 1.090 177.251 176.300 -0.231 0.000 0.989 548 R CA -0.065 55.981 56.100 -0.090 0.000 1.016 548 R CB 0.270 30.504 30.300 -0.110 0.000 0.918 548 R HN 0.182 nan 8.270 nan 0.000 0.473 549 L N -0.071 121.046 121.223 -0.177 0.000 2.479 549 L HA 0.122 4.474 4.340 0.021 0.000 0.249 549 L C 0.607 177.367 176.870 -0.183 0.000 1.178 549 L CA -0.156 54.514 54.840 -0.282 0.000 0.811 549 L CB 0.314 42.297 42.059 -0.127 0.000 1.187 549 L HN 0.115 nan 8.230 nan 0.000 0.480 550 Y N -1.046 119.371 120.300 0.194 0.000 2.555 550 Y HA 0.267 4.829 4.550 0.020 0.000 0.259 550 Y C -0.270 175.523 175.900 -0.179 0.000 1.179 550 Y CA -0.624 57.469 58.100 -0.011 0.000 1.230 550 Y CB 0.390 38.791 38.460 -0.099 0.000 1.146 550 Y HN 0.221 nan 8.280 nan 0.000 0.526 551 F N 0.018 120.130 119.950 0.269 0.000 2.495 551 F HA 0.405 4.944 4.527 0.020 0.000 0.327 551 F C 0.976 176.883 175.800 0.178 0.000 1.103 551 F CA -0.852 57.310 58.000 0.271 0.000 0.949 551 F CB 0.736 40.009 39.000 0.456 0.000 1.142 551 F HN 0.119 nan 8.300 nan 0.000 0.457 552 D N 1.349 121.904 120.400 0.259 0.000 2.173 552 D HA -0.147 4.505 4.640 0.021 0.000 0.205 552 D C 0.093 176.469 176.300 0.125 0.000 1.002 552 D CA 2.065 56.159 54.000 0.156 0.000 0.881 552 D CB -0.466 40.402 40.800 0.115 0.000 1.062 552 D HN 0.626 nan 8.370 nan 0.000 0.459 553 D N -1.966 118.456 120.400 0.036 0.000 2.863 553 D HA 0.415 5.067 4.640 0.021 0.000 0.245 553 D C -2.103 173.945 176.300 -0.419 0.000 1.211 553 D CA -1.529 52.418 54.000 -0.090 0.000 0.888 553 D CB 2.360 43.202 40.800 0.069 0.000 1.483 553 D HN -0.082 nan 8.370 nan 0.000 0.533 554 P HA -0.199 nan 4.420 nan 0.000 0.215 554 P C 0.349 177.181 177.300 -0.780 0.000 1.163 554 P CA 1.540 63.760 63.100 -1.467 0.000 0.894 554 P CB 0.031 30.526 31.700 -2.009 0.000 0.791 555 Y N -0.873 119.311 120.300 -0.194 0.000 2.806 555 Y HA -0.002 4.560 4.550 0.021 0.000 0.216 555 Y C 2.003 177.884 175.900 -0.031 0.000 0.928 555 Y CA -0.166 57.899 58.100 -0.058 0.000 0.941 555 Y CB -1.466 37.000 38.460 0.009 0.000 1.058 555 Y HN -0.263 nan 8.280 nan 0.000 0.498 565 R N 1.359 122.005 120.500 0.244 0.000 2.075 565 R HA 0.212 4.564 4.340 0.021 0.000 0.226 565 R C 2.261 178.753 176.300 0.320 0.000 1.114 565 R CA 2.021 58.305 56.100 0.307 0.000 0.972 565 R CB -0.855 29.525 30.300 0.134 0.000 0.869 565 R HN 0.447 nan 8.270 nan 0.000 0.437 566 K N -1.018 119.485 120.400 0.171 0.000 2.097 566 K HA -0.051 4.282 4.320 0.021 0.000 0.205 566 K C 1.952 178.610 176.600 0.096 0.000 1.050 566 K CA 1.411 57.759 56.287 0.102 0.000 0.938 566 K CB -0.359 32.145 32.500 0.007 0.000 0.718 566 K HN 0.354 nan 8.250 nan 0.000 0.442 567 F N 0.614 120.519 119.950 -0.076 0.000 2.091 567 F HA -0.224 4.316 4.527 0.021 0.000 0.299 567 F C 1.449 177.155 175.800 -0.157 0.000 1.103 567 F CA 1.799 59.653 58.000 -0.243 0.000 1.228 567 F CB -0.194 38.513 39.000 -0.487 0.000 0.984 567 F HN -0.002 nan 8.300 nan 0.000 0.477 568 F N -0.372 119.785 119.950 0.345 0.000 2.512 568 F HA 0.039 4.579 4.527 0.020 0.000 0.296 568 F C 2.382 178.413 175.800 0.386 0.000 1.110 568 F CA 0.532 58.729 58.000 0.328 0.000 1.446 568 F CB -0.403 38.739 39.000 0.236 0.000 1.092 568 F HN -0.222 nan 8.300 nan 0.000 0.554 569 R N 0.225 121.064 120.500 0.566 0.000 2.062 569 R HA -0.090 4.263 4.340 0.021 0.000 0.231 569 R C 2.502 178.944 176.300 0.237 0.000 1.136 569 R CA 1.215 57.588 56.100 0.455 0.000 0.948 569 R CB -0.832 29.625 30.300 0.262 0.000 0.845 569 R HN 0.266 nan 8.270 nan 0.000 0.430 570 A N 0.785 123.641 122.820 0.061 0.000 1.908 570 A HA -0.217 4.115 4.320 0.021 0.000 0.218 570 A C 1.950 179.553 177.584 0.031 0.000 1.181 570 A CA 1.301 53.280 52.037 -0.097 0.000 0.627 570 A CB -0.666 18.088 19.000 -0.410 0.000 0.818 570 A HN 0.373 nan 8.150 nan 0.000 0.445 571 F N 0.540 120.504 119.950 0.022 0.000 2.234 571 F HA -0.079 4.460 4.527 0.021 0.000 0.299 571 F C 2.141 178.069 175.800 0.213 0.000 1.087 571 F CA 1.951 60.050 58.000 0.166 0.000 1.340 571 F CB -0.101 38.947 39.000 0.079 0.000 1.031 571 F HN 0.245 nan 8.300 nan 0.000 0.500 572 K N -0.509 120.017 120.400 0.210 0.000 2.057 572 K HA -0.134 4.198 4.320 0.021 0.000 0.206 572 K C 1.898 178.555 176.600 0.095 0.000 1.050 572 K CA 1.864 58.257 56.287 0.177 0.000 0.935 572 K CB -0.373 32.342 32.500 0.359 0.000 0.715 572 K HN 0.204 nan 8.250 nan 0.000 0.439 573 T N 0.952 115.606 114.554 0.166 0.000 2.720 573 T HA -0.137 4.225 4.350 0.021 0.000 0.268 573 T C 1.878 176.578 174.700 -0.001 0.000 1.037 573 T CA 1.339 63.529 62.100 0.150 0.000 1.144 573 T CB -0.324 68.520 68.868 -0.039 0.000 0.864 573 T HN 0.421 nan 8.240 nan 0.000 0.444 574 A N 1.163 123.969 122.820 -0.024 0.000 1.978 574 A HA 0.002 4.334 4.320 0.021 0.000 0.220 574 A C 2.283 179.867 177.584 0.001 0.000 1.170 574 A CA 1.168 53.239 52.037 0.057 0.000 0.636 574 A CB -0.752 18.279 19.000 0.052 0.000 0.810 574 A HN 0.499 nan 8.150 nan 0.000 0.448 575 L N -0.841 120.267 121.223 -0.192 0.000 2.072 575 L HA -0.111 4.241 4.340 0.021 0.000 0.205 575 L C 2.502 179.182 176.870 -0.317 0.000 1.079 575 L CA 0.801 55.539 54.840 -0.171 0.000 0.752 575 L CB -0.679 41.326 42.059 -0.091 0.000 0.906 575 L HN 0.232 nan 8.230 nan 0.000 0.436 576 V N 0.464 120.095 119.914 -0.472 0.000 2.237 576 V HA -0.308 3.824 4.120 0.021 0.000 0.245 576 V C 2.480 178.456 176.094 -0.196 0.000 1.046 576 V CA 1.810 63.773 62.300 -0.561 0.000 1.007 576 V CB -0.501 31.113 31.823 -0.349 0.000 0.638 576 V HN 0.315 nan 8.190 nan 0.000 0.445 577 L N -0.596 120.540 121.223 -0.145 0.000 2.051 577 L HA -0.249 4.103 4.340 0.021 0.000 0.214 577 L C 2.513 179.468 176.870 0.143 0.000 1.076 577 L CA 1.571 56.288 54.840 -0.206 0.000 0.758 577 L CB -0.730 40.790 42.059 -0.899 0.000 0.890 577 L HN 0.375 nan 8.230 nan 0.000 0.433 578 L N 0.202 121.606 121.223 0.301 0.000 2.079 578 L HA -0.183 4.170 4.340 0.021 0.000 0.210 578 L C 2.539 179.537 176.870 0.213 0.000 1.081 578 L CA 2.113 57.166 54.840 0.356 0.000 0.752 578 L CB -0.697 41.488 42.059 0.210 0.000 0.896 578 L HN 0.153 nan 8.230 nan 0.000 0.433 579 A N -1.111 121.794 122.820 0.143 0.000 2.014 579 A HA -0.214 4.118 4.320 0.021 0.000 0.218 579 A C 2.241 179.955 177.584 0.216 0.000 1.163 579 A CA 1.197 53.328 52.037 0.156 0.000 0.652 579 A CB -1.241 17.846 19.000 0.146 0.000 0.808 579 A HN 0.802 nan 8.150 nan 0.000 0.449 580 W N 1.639 122.942 121.300 0.006 0.000 2.354 580 W HA -0.224 4.448 4.660 0.020 0.000 0.315 580 W C 1.850 178.399 176.519 0.050 0.000 1.206 580 W CA 1.886 59.240 57.345 0.015 0.000 1.290 580 W CB -0.130 29.313 29.460 -0.029 0.000 1.152 580 W HN 0.454 nan 8.180 nan 0.000 0.489 581 I N -0.484 120.161 120.570 0.125 0.000 2.614 581 I HA -0.156 4.026 4.170 0.021 0.000 0.258 581 I C 0.845 176.937 176.117 -0.041 0.000 1.189 581 I CA 1.416 62.703 61.300 -0.022 0.000 1.462 581 I CB -0.946 37.143 38.000 0.148 0.000 1.092 581 I HN -0.129 nan 8.210 nan 0.000 0.442 582 N N 2.146 120.860 118.700 0.024 0.000 2.346 582 N HA 0.042 4.794 4.740 0.021 0.000 0.225 582 N C -0.355 175.150 175.510 -0.007 0.000 1.144 582 N CA 0.170 53.226 53.050 0.010 0.000 0.837 582 N CB -0.178 38.337 38.487 0.047 0.000 1.069 582 N HN 0.480 nan 8.380 nan 0.000 0.487 583 E N -0.875 119.286 120.200 -0.065 0.000 2.360 583 E HA -0.172 4.190 4.350 0.021 0.000 0.238 583 E C -0.602 176.005 176.600 0.012 0.000 1.186 583 E CA 0.147 56.502 56.400 -0.075 0.000 0.719 583 E CB -1.747 27.905 29.700 -0.080 0.000 1.236 583 E HN 0.050 nan 8.360 nan 0.000 0.386 584 V N 0.968 120.928 119.914 0.076 0.000 2.614 584 V HA 0.141 4.273 4.120 0.021 0.000 0.291 584 V C -1.596 174.579 176.094 0.136 0.000 1.049 584 V CA -1.220 61.148 62.300 0.113 0.000 1.038 584 V CB 0.813 32.731 31.823 0.158 0.000 0.980 584 V HN 0.055 nan 8.190 nan 0.000 0.481 585 P HA 0.038 nan 4.420 nan 0.000 0.264 585 P C 0.978 178.372 177.300 0.157 0.000 1.193 585 P CA 0.164 63.337 63.100 0.122 0.000 0.763 585 P CB 0.519 32.273 31.700 0.090 0.000 0.810 586 E N 2.782 123.099 120.200 0.195 0.000 2.082 586 E HA -0.275 4.088 4.350 0.021 0.000 0.215 586 E C 2.192 178.861 176.600 0.115 0.000 1.048 586 E CA 2.408 58.921 56.400 0.189 0.000 0.869 586 E CB -0.857 28.969 29.700 0.209 0.000 0.773 586 E HN 0.716 nan 8.360 nan 0.000 0.466 587 G N 0.871 109.731 108.800 0.101 0.000 2.503 587 G HA2 -0.349 3.623 3.960 0.021 0.000 0.221 587 G HA3 -0.349 3.623 3.960 0.021 0.000 0.221 587 G C 1.423 176.364 174.900 0.068 0.000 1.131 587 G CA 1.206 46.350 45.100 0.074 0.000 0.756 587 G HN 0.350 nan 8.290 nan 0.000 0.572 588 E N -0.230 120.019 120.200 0.082 0.000 2.107 588 E HA -0.021 4.341 4.350 0.021 0.000 0.191 588 E C 2.547 179.210 176.600 0.106 0.000 0.982 588 E CA 0.345 56.793 56.400 0.080 0.000 0.809 588 E CB -0.112 29.640 29.700 0.087 0.000 0.756 588 E HN 0.553 nan 8.360 nan 0.000 0.459 589 I N 0.349 121.002 120.570 0.138 0.000 2.202 589 I HA -0.247 3.935 4.170 0.021 0.000 0.242 589 I C 2.338 178.531 176.117 0.127 0.000 1.091 589 I CA 0.595 62.011 61.300 0.194 0.000 1.368 589 I CB -0.222 37.854 38.000 0.126 0.000 1.058 589 I HN 0.037 nan 8.210 nan 0.000 0.410 590 V N 1.126 121.064 119.914 0.040 0.000 2.282 590 V HA -0.311 3.821 4.120 0.021 0.000 0.249 590 V C 2.376 178.476 176.094 0.009 0.000 1.057 590 V CA 2.076 64.372 62.300 -0.008 0.000 1.032 590 V CB -0.765 31.056 31.823 -0.005 0.000 0.645 590 V HN 0.479 nan 8.190 nan 0.000 0.447 591 E N -0.037 120.177 120.200 0.023 0.000 2.008 591 E HA -0.221 4.142 4.350 0.021 0.000 0.191 591 E C 2.314 178.894 176.600 -0.033 0.000 0.986 591 E CA 1.074 57.475 56.400 0.001 0.000 0.807 591 E CB -0.279 29.425 29.700 0.006 0.000 0.766 591 E HN 0.466 nan 8.360 nan 0.000 0.450 592 K N 0.266 120.633 120.400 -0.054 0.000 2.160 592 K HA -0.183 4.149 4.320 0.021 0.000 0.206 592 K C 0.981 177.312 176.600 -0.449 0.000 1.047 592 K CA 1.455 57.596 56.287 -0.244 0.000 0.930 592 K CB 0.016 32.339 32.500 -0.295 0.000 0.720 592 K HN 0.186 nan 8.250 nan 0.000 0.450 593 Y N -0.282 119.988 120.300 -0.050 0.000 2.557 593 Y HA 0.221 4.784 4.550 0.021 0.000 0.247 593 Y C 0.050 175.888 175.900 -0.103 0.000 1.164 593 Y CA -0.324 57.731 58.100 -0.075 0.000 1.218 593 Y CB 0.789 39.170 38.460 -0.132 0.000 1.210 593 Y HN -0.125 nan 8.280 nan 0.000 0.529 594 S N 0.781 116.486 115.700 0.009 0.000 3.572 594 S HA -0.092 4.390 4.470 0.021 0.000 0.394 594 S C -0.357 174.200 174.600 -0.073 0.000 0.923 594 S CA 0.565 58.754 58.200 -0.018 0.000 1.291 594 S CB -2.188 61.016 63.200 0.006 0.000 0.914 594 S HN 0.466 nan 8.310 nan 0.000 0.545 595 V N -2.274 117.563 119.914 -0.128 0.000 2.971 595 V HA 0.783 4.915 4.120 0.021 0.000 0.309 595 V C -0.302 175.690 176.094 -0.171 0.000 1.130 595 V CA -1.169 60.981 62.300 -0.251 0.000 0.964 595 V CB 2.148 33.593 31.823 -0.630 0.000 1.029 595 V HN 0.396 nan 8.190 nan 0.000 0.427 596 E N 4.127 124.252 120.200 -0.125 0.000 2.248 596 E HA 0.437 4.799 4.350 0.021 0.000 0.272 596 E C -2.656 173.851 176.600 -0.156 0.000 1.008 596 E CA -2.302 54.053 56.400 -0.074 0.000 0.856 596 E CB 1.924 31.639 29.700 0.024 0.000 1.120 596 E HN 0.647 nan 8.360 nan 0.000 0.397 597 P HA 0.069 nan 4.420 nan 0.000 0.260 597 P C -0.003 177.129 177.300 -0.281 0.000 1.651 597 P CA 0.334 63.146 63.100 -0.478 0.000 1.139 597 P CB 0.374 31.939 31.700 -0.225 0.000 1.756 598 G N 3.266 111.909 108.800 -0.262 0.000 4.178 598 G HA2 -0.087 3.886 3.960 0.021 0.000 0.188 598 G HA3 -0.087 3.886 3.960 0.021 0.000 0.188 598 G C 0.690 175.596 174.900 0.010 0.000 0.968 598 G CA -0.111 45.013 45.100 0.040 0.000 0.965 598 G HN 0.286 nan 8.290 nan 0.000 0.396 599 D N 0.912 121.306 120.400 -0.010 0.000 2.213 599 D HA 0.132 4.784 4.640 0.021 0.000 0.205 599 D C 2.482 178.833 176.300 0.085 0.000 0.961 599 D CA 0.312 54.380 54.000 0.114 0.000 0.853 599 D CB 0.588 41.574 40.800 0.309 0.000 0.967 599 D HN 0.353 nan 8.370 nan 0.000 0.496 600 I N 0.477 120.951 120.570 -0.160 0.000 2.179 600 I HA -0.284 3.898 4.170 0.021 0.000 0.242 600 I C 2.183 178.051 176.117 -0.414 0.000 1.088 600 I CA 1.198 62.295 61.300 -0.338 0.000 1.357 600 I CB -0.251 37.355 38.000 -0.657 0.000 1.051 600 I HN 0.034 nan 8.210 nan 0.000 0.409 601 Y N 0.058 120.255 120.300 -0.171 0.000 2.263 601 Y HA -0.186 4.377 4.550 0.021 0.000 0.292 601 Y C 2.803 178.636 175.900 -0.111 0.000 1.130 601 Y CA 0.610 58.612 58.100 -0.162 0.000 1.179 601 Y CB -0.316 38.100 38.460 -0.074 0.000 0.998 601 Y HN 0.063 nan 8.280 nan 0.000 0.532 602 R N 0.658 121.191 120.500 0.056 0.000 2.066 602 R HA -0.153 4.200 4.340 0.021 0.000 0.232 602 R C 1.965 178.239 176.300 -0.043 0.000 1.131 602 R CA 1.527 57.640 56.100 0.022 0.000 0.955 602 R CB -0.212 30.100 30.300 0.020 0.000 0.851 602 R HN 0.215 nan 8.270 nan 0.000 0.432 603 I N 0.662 121.157 120.570 -0.126 0.000 2.226 603 I HA -0.207 3.975 4.170 0.021 0.000 0.245 603 I C 2.437 178.444 176.117 -0.183 0.000 1.100 603 I CA 0.977 62.143 61.300 -0.223 0.000 1.374 603 I CB -0.992 36.761 38.000 -0.411 0.000 1.057 603 I HN 0.095 nan 8.210 nan 0.000 0.413 604 V N 0.999 120.780 119.914 -0.221 0.000 2.233 604 V HA -0.320 3.812 4.120 0.021 0.000 0.247 604 V C 2.638 178.704 176.094 -0.047 0.000 1.050 604 V CA 2.264 64.433 62.300 -0.219 0.000 1.010 604 V CB -0.688 30.902 31.823 -0.388 0.000 0.637 604 V HN 0.471 nan 8.190 nan 0.000 0.444 605 E N -0.439 119.758 120.200 -0.005 0.000 2.147 605 E HA -0.275 4.088 4.350 0.021 0.000 0.199 605 E C 2.096 178.752 176.600 0.094 0.000 1.005 605 E CA 2.077 58.500 56.400 0.039 0.000 0.810 605 E CB -0.126 29.592 29.700 0.030 0.000 0.736 605 E HN 0.662 nan 8.360 nan 0.000 0.460 606 T N 0.103 114.715 114.554 0.098 0.000 2.942 606 T HA 0.040 4.402 4.350 0.021 0.000 0.265 606 T C 1.792 176.611 174.700 0.199 0.000 1.062 606 T CA 0.887 63.124 62.100 0.228 0.000 1.139 606 T CB -0.108 68.867 68.868 0.180 0.000 0.883 606 T HN 0.329 nan 8.240 nan 0.000 0.468 607 A N 1.706 124.559 122.820 0.056 0.000 1.933 607 A HA -0.119 4.213 4.320 0.021 0.000 0.218 607 A C 2.311 179.956 177.584 0.103 0.000 1.175 607 A CA 1.445 53.495 52.037 0.021 0.000 0.628 607 A CB -0.437 18.482 19.000 -0.135 0.000 0.814 607 A HN 0.381 nan 8.150 nan 0.000 0.444 608 E N -0.670 119.604 120.200 0.123 0.000 2.051 608 E HA -0.237 4.125 4.350 0.021 0.000 0.192 608 E C 1.838 178.593 176.600 0.259 0.000 0.991 608 E CA 1.792 58.279 56.400 0.146 0.000 0.799 608 E CB -0.488 29.262 29.700 0.082 0.000 0.748 608 E HN 0.735 nan 8.360 nan 0.000 0.449 609 W N 1.696 123.054 121.300 0.096 0.000 2.335 609 W HA -0.155 4.519 4.660 0.023 0.000 0.311 609 W C 2.122 178.808 176.519 0.278 0.000 1.213 609 W CA 1.554 59.002 57.345 0.171 0.000 1.274 609 W CB -0.821 28.719 29.460 0.133 0.000 1.148 609 W HN 0.067 nan 8.180 nan 0.000 0.498 610 L N -0.164 121.060 121.223 0.002 0.000 2.141 610 L HA -0.182 4.171 4.340 0.021 0.000 0.209 610 L C 2.258 179.144 176.870 0.026 0.000 1.094 610 L CA 0.993 55.764 54.840 -0.115 0.000 0.763 610 L CB -0.999 41.037 42.059 -0.039 0.000 0.908 610 L HN -0.174 nan 8.230 nan 0.000 0.437 611 V N -1.133 118.834 119.914 0.087 0.000 2.667 611 V HA -0.281 3.851 4.120 0.021 0.000 0.252 611 V C 2.122 178.253 176.094 0.061 0.000 1.065 611 V CA 1.334 63.671 62.300 0.061 0.000 1.083 611 V CB -0.556 31.351 31.823 0.138 0.000 0.692 611 V HN 0.422 nan 8.190 nan 0.000 0.468 612 Y N 1.540 121.867 120.300 0.044 0.000 2.163 612 Y HA -0.206 4.356 4.550 0.021 0.000 0.288 612 Y C 2.665 178.607 175.900 0.070 0.000 1.136 612 Y CA 1.881 60.026 58.100 0.076 0.000 1.147 612 Y CB -0.428 38.125 38.460 0.155 0.000 0.987 612 Y HN 0.210 nan 8.280 nan 0.000 0.509 613 S N 0.440 116.105 115.700 -0.057 0.000 2.442 613 S HA -0.136 4.347 4.470 0.021 0.000 0.236 613 S C 1.816 176.377 174.600 -0.066 0.000 1.007 613 S CA 1.205 59.355 58.200 -0.084 0.000 0.965 613 S CB -0.547 62.679 63.200 0.043 0.000 0.773 613 S HN 0.462 nan 8.310 nan 0.000 0.504 614 L N 2.066 123.170 121.223 -0.198 0.000 2.131 614 L HA 0.128 4.480 4.340 0.021 0.000 0.206 614 L C 2.081 178.797 176.870 -0.258 0.000 1.087 614 L CA 1.680 56.261 54.840 -0.431 0.000 0.767 614 L CB -0.539 41.093 42.059 -0.710 0.000 0.917 614 L HN 0.109 nan 8.230 nan 0.000 0.441 615 K N -0.720 119.548 120.400 -0.220 0.000 2.026 615 K HA -0.184 4.148 4.320 0.021 0.000 0.208 615 K C 1.903 178.386 176.600 -0.195 0.000 1.048 615 K CA 1.517 57.700 56.287 -0.173 0.000 0.929 615 K CB -0.044 32.373 32.500 -0.138 0.000 0.713 615 K HN 0.264 nan 8.250 nan 0.000 0.439 616 E N 0.788 120.816 120.200 -0.287 0.000 2.110 616 E HA -0.160 4.202 4.350 0.021 0.000 0.193 616 E C 2.010 178.539 176.600 -0.118 0.000 0.988 616 E CA 0.787 57.056 56.400 -0.217 0.000 0.804 616 E CB -0.073 29.450 29.700 -0.295 0.000 0.745 616 E HN 0.378 nan 8.360 nan 0.000 0.458 617 I N 0.756 121.275 120.570 -0.085 0.000 2.439 617 I HA -0.123 4.059 4.170 0.021 0.000 0.251 617 I C 2.260 178.309 176.117 -0.114 0.000 1.139 617 I CA 0.666 61.943 61.300 -0.039 0.000 1.438 617 I CB -1.251 36.799 38.000 0.084 0.000 1.085 617 I HN -0.080 nan 8.210 nan 0.000 0.427 618 A N 1.055 123.782 122.820 -0.156 0.000 1.877 618 A HA -0.212 4.120 4.320 0.021 0.000 0.216 618 A C 2.361 179.758 177.584 -0.312 0.000 1.186 618 A CA 1.439 53.352 52.037 -0.207 0.000 0.620 618 A CB -0.455 18.435 19.000 -0.183 0.000 0.822 618 A HN 0.302 nan 8.150 nan 0.000 0.443 619 K N -0.396 119.836 120.400 -0.280 0.000 2.044 619 K HA -0.131 4.201 4.320 0.021 0.000 0.210 619 K C 1.756 178.121 176.600 -0.393 0.000 1.049 619 K CA 1.643 57.701 56.287 -0.382 0.000 0.927 619 K CB -0.487 31.952 32.500 -0.103 0.000 0.713 619 K HN 0.303 nan 8.250 nan 0.000 0.443 620 V N 1.428 121.221 119.914 -0.202 0.000 2.720 620 V HA -0.175 3.957 4.120 0.021 0.000 0.256 620 V C 1.609 177.598 176.094 -0.175 0.000 1.082 620 V CA 1.399 63.617 62.300 -0.137 0.000 1.101 620 V CB -0.412 31.364 31.823 -0.078 0.000 0.693 620 V HN 0.276 nan 8.190 nan 0.000 0.479 621 L N -0.110 120.970 121.223 -0.239 0.000 3.017 621 L HA 0.459 4.812 4.340 0.021 0.000 0.255 621 L C 1.674 178.394 176.870 -0.249 0.000 1.247 621 L CA 0.575 55.290 54.840 -0.209 0.000 1.038 621 L CB 0.074 42.027 42.059 -0.177 0.000 1.380 621 L HN 0.403 nan 8.230 nan 0.000 0.548 622 G N 0.633 109.185 108.800 -0.413 0.000 2.302 622 G HA2 -0.410 3.562 3.960 0.021 0.000 0.263 622 G HA3 -0.410 3.562 3.960 0.021 0.000 0.263 622 G C 0.843 175.526 174.900 -0.362 0.000 0.995 622 G CA 0.326 45.195 45.100 -0.385 0.000 0.622 622 G HN 0.519 nan 8.290 nan 0.000 0.538 623 A N 0.317 122.943 122.820 -0.323 0.000 2.863 623 A HA 0.522 4.855 4.320 0.021 0.000 0.246 623 A C 1.128 178.610 177.584 -0.171 0.000 1.772 623 A CA 0.940 52.863 52.037 -0.189 0.000 1.456 623 A CB -0.900 17.995 19.000 -0.175 0.000 0.930 623 A HN 0.664 nan 8.150 nan 0.000 0.630 624 Y N 0.532 120.810 120.300 -0.037 0.000 2.403 624 Y HA -0.216 4.346 4.550 0.020 0.000 0.291 624 Y C 2.335 178.224 175.900 -0.018 0.000 1.143 624 Y CA 1.536 59.622 58.100 -0.024 0.000 1.257 624 Y CB -0.117 38.332 38.460 -0.018 0.000 0.984 624 Y HN 0.765 nan 8.280 nan 0.000 0.550 625 E N 0.951 121.217 120.200 0.109 0.000 2.478 625 E HA -0.123 4.239 4.350 0.021 0.000 0.198 625 E C 1.433 178.050 176.600 0.027 0.000 1.046 625 E CA 1.361 57.795 56.400 0.056 0.000 0.870 625 E CB -0.551 29.162 29.700 0.022 0.000 0.818 625 E HN 0.770 nan 8.360 nan 0.000 0.527 626 I N -3.130 117.448 120.570 0.013 0.000 4.070 626 I HA 0.104 4.286 4.170 0.021 0.000 0.328 626 I C 1.821 177.986 176.117 0.080 0.000 1.298 626 I CA -0.321 60.991 61.300 0.020 0.000 1.173 626 I CB 0.323 38.295 38.000 -0.046 0.000 1.051 626 I HN -0.193 nan 8.210 nan 0.000 0.409 627 V N 2.433 122.381 119.914 0.056 0.000 2.282 627 V HA -0.305 3.827 4.120 0.021 0.000 0.249 627 V C 2.292 178.435 176.094 0.081 0.000 1.057 627 V CA 2.588 64.922 62.300 0.058 0.000 1.032 627 V CB -0.746 31.125 31.823 0.080 0.000 0.645 627 V HN 0.515 nan 8.190 nan 0.000 0.447 628 D N -1.489 118.968 120.400 0.096 0.000 2.117 628 D HA -0.209 4.444 4.640 0.021 0.000 0.197 628 D C 1.949 178.305 176.300 0.094 0.000 0.987 628 D CA 1.785 55.837 54.000 0.087 0.000 0.829 628 D CB -0.162 40.688 40.800 0.082 0.000 0.961 628 D HN 0.610 nan 8.370 nan 0.000 0.460 629 Y N 1.902 122.202 120.300 0.001 0.000 2.114 629 Y HA -0.176 4.386 4.550 0.021 0.000 0.284 629 Y C 2.358 178.254 175.900 -0.007 0.000 1.143 629 Y CA 1.369 59.464 58.100 -0.008 0.000 1.135 629 Y CB -0.480 37.967 38.460 -0.023 0.000 0.980 629 Y HN -0.127 nan 8.280 nan 0.000 0.499 630 L N 0.154 121.435 121.223 0.096 0.000 2.127 630 L HA -0.198 4.154 4.340 0.021 0.000 0.211 630 L C 2.441 179.288 176.870 -0.039 0.000 1.089 630 L CA 1.743 56.581 54.840 -0.002 0.000 0.757 630 L CB -0.715 41.369 42.059 0.042 0.000 0.899 630 L HN 0.263 nan 8.230 nan 0.000 0.434 631 E N 0.452 120.652 120.200 -0.000 0.000 2.077 631 E HA -0.174 4.188 4.350 0.021 0.000 0.193 631 E C 2.013 178.603 176.600 -0.017 0.000 0.989 631 E CA 1.965 58.381 56.400 0.028 0.000 0.800 631 E CB -0.275 29.456 29.700 0.053 0.000 0.746 631 E HN 0.230 nan 8.360 nan 0.000 0.452 632 T N 0.760 115.267 114.554 -0.079 0.000 2.915 632 T HA -0.065 4.297 4.350 0.021 0.000 0.269 632 T C 1.535 176.144 174.700 -0.150 0.000 1.071 632 T CA 0.966 63.002 62.100 -0.107 0.000 1.132 632 T CB -0.234 68.550 68.868 -0.139 0.000 0.878 632 T HN 0.109 nan 8.240 nan 0.000 0.479 633 L N 1.445 122.532 121.223 -0.228 0.000 2.109 633 L HA 0.170 4.522 4.340 0.021 0.000 0.207 633 L C 2.451 179.318 176.870 -0.005 0.000 1.086 633 L CA 1.544 56.279 54.840 -0.175 0.000 0.760 633 L CB -0.530 41.374 42.059 -0.257 0.000 0.910 633 L HN 0.041 nan 8.230 nan 0.000 0.437 634 R N -0.971 119.537 120.500 0.013 0.000 2.083 634 R HA -0.140 4.212 4.340 0.021 0.000 0.237 634 R C 1.964 178.266 176.300 0.004 0.000 1.137 634 R CA 2.070 58.205 56.100 0.059 0.000 0.951 634 R CB -0.346 30.015 30.300 0.102 0.000 0.851 634 R HN 0.334 nan 8.270 nan 0.000 0.434 635 V N 1.185 121.086 119.914 -0.020 0.000 2.548 635 V HA -0.151 3.981 4.120 0.021 0.000 0.249 635 V C 2.432 178.487 176.094 -0.064 0.000 1.055 635 V CA 1.666 63.930 62.300 -0.061 0.000 1.065 635 V CB -0.502 31.327 31.823 0.011 0.000 0.681 635 V HN 0.380 nan 8.190 nan 0.000 0.462 636 R N -0.416 120.069 120.500 -0.024 0.000 2.075 636 R HA -0.099 4.254 4.340 0.021 0.000 0.232 636 R C 2.246 178.539 176.300 -0.010 0.000 1.126 636 R CA 1.295 57.382 56.100 -0.022 0.000 0.963 636 R CB -0.533 29.758 30.300 -0.015 0.000 0.858 636 R HN 0.386 nan 8.270 nan 0.000 0.435 637 V N 1.567 121.531 119.914 0.082 0.000 2.427 637 V HA -0.235 3.897 4.120 0.021 0.000 0.248 637 V C 2.381 178.612 176.094 0.229 0.000 1.051 637 V CA 1.619 64.041 62.300 0.204 0.000 1.048 637 V CB -0.403 31.523 31.823 0.172 0.000 0.666 637 V HN 0.303 nan 8.190 nan 0.000 0.456 638 K N -0.758 119.616 120.400 -0.045 0.000 2.148 638 K HA -0.151 4.181 4.320 0.021 0.000 0.204 638 K C 1.606 178.073 176.600 -0.222 0.000 1.050 638 K CA 1.788 57.930 56.287 -0.242 0.000 0.942 638 K CB -0.091 32.011 32.500 -0.664 0.000 0.724 638 K HN 0.631 nan 8.250 nan 0.000 0.446 639 Y N -1.063 119.289 120.300 0.087 0.000 2.500 639 Y HA 0.258 4.820 4.550 0.020 0.000 0.246 639 Y C 0.661 176.265 175.900 -0.493 0.000 1.146 639 Y CA -0.323 57.746 58.100 -0.051 0.000 1.230 639 Y CB 1.465 39.876 38.460 -0.081 0.000 1.214 639 Y HN 0.154 nan 8.280 nan 0.000 0.526 640 G N 2.886 111.244 108.800 -0.737 0.000 2.367 640 G HA2 -0.276 3.696 3.960 0.021 0.000 0.295 640 G HA3 -0.276 3.696 3.960 0.021 0.000 0.295 640 G C -0.279 174.155 174.900 -0.776 0.000 1.019 640 G CA 0.716 44.794 45.100 -1.704 0.000 1.224 640 G HN 0.552 nan 8.290 nan 0.000 0.510 641 I N -3.631 116.716 120.570 -0.370 0.000 3.095 641 I HA 0.758 4.940 4.170 0.021 0.000 0.310 641 I C 0.146 176.179 176.117 -0.141 0.000 1.196 641 I CA -1.926 59.245 61.300 -0.215 0.000 0.985 641 I CB 1.575 39.495 38.000 -0.132 0.000 1.250 641 I HN 0.063 nan 8.210 nan 0.000 0.446 642 R N 1.340 121.758 120.500 -0.136 0.000 2.637 642 R HA 0.171 4.523 4.340 0.021 0.000 0.269 642 R C 0.857 177.083 176.300 -0.123 0.000 1.089 642 R CA -0.388 55.640 56.100 -0.119 0.000 1.177 642 R CB 0.925 31.145 30.300 -0.135 0.000 1.091 642 R HN 0.782 nan 8.270 nan 0.000 0.540 643 E N 1.512 121.650 120.200 -0.104 0.000 2.085 643 E HA -0.230 4.132 4.350 0.021 0.000 0.194 643 E C 0.812 177.343 176.600 -0.114 0.000 0.994 643 E CA 1.772 58.120 56.400 -0.088 0.000 0.801 643 E CB 0.167 29.827 29.700 -0.066 0.000 0.743 643 E HN 0.598 nan 8.360 nan 0.000 0.453 644 E N 0.028 120.121 120.200 -0.178 0.000 2.527 644 E HA -0.131 4.232 4.350 0.021 0.000 0.204 644 E C 1.301 177.669 176.600 -0.387 0.000 1.132 644 E CA 0.665 56.902 56.400 -0.271 0.000 0.905 644 E CB -0.139 29.326 29.700 -0.391 0.000 0.875 644 E HN 0.374 nan 8.360 nan 0.000 0.548 645 L N -0.438 120.637 121.223 -0.246 0.000 2.840 645 L HA 0.282 4.634 4.340 0.021 0.000 0.249 645 L C 1.750 178.574 176.870 -0.077 0.000 1.119 645 L CA -0.181 54.550 54.840 -0.181 0.000 0.930 645 L CB -0.003 41.947 42.059 -0.182 0.000 1.295 645 L HN 0.140 nan 8.230 nan 0.000 0.534 646 I N 1.305 121.845 120.570 -0.050 0.000 2.381 646 I HA -0.234 3.948 4.170 0.021 0.000 0.255 646 I C -0.479 175.640 176.117 0.004 0.000 1.140 646 I CA 1.499 62.803 61.300 0.006 0.000 1.404 646 I CB -1.258 36.754 38.000 0.020 0.000 1.075 646 I HN 0.272 nan 8.210 nan 0.000 0.433 647 P HA -0.110 nan 4.420 nan 0.000 0.213 647 P C 1.728 179.023 177.300 -0.009 0.000 1.170 647 P CA 1.161 64.266 63.100 0.009 0.000 0.889 647 P CB -0.039 31.678 31.700 0.029 0.000 0.782 648 L N -1.534 119.685 121.223 -0.006 0.000 2.661 648 L HA -0.136 4.216 4.340 0.021 0.000 0.236 648 L C 1.964 178.783 176.870 -0.086 0.000 1.176 648 L CA 0.594 55.419 54.840 -0.025 0.000 0.836 648 L CB -0.778 41.283 42.059 0.004 0.000 0.960 648 L HN 0.051 nan 8.230 nan 0.000 0.455 649 M N -0.646 118.886 119.600 -0.114 0.000 2.388 649 M HA -0.095 4.398 4.480 0.021 0.000 0.265 649 M C 2.799 178.970 176.300 -0.216 0.000 1.088 649 M CA 1.604 56.754 55.300 -0.250 0.000 1.134 649 M CB -1.199 31.235 32.600 -0.277 0.000 1.384 649 M HN 0.458 nan 8.290 nan 0.000 0.447 650 Q N 1.270 121.009 119.800 -0.102 0.000 2.047 650 Q HA -0.132 4.221 4.340 0.021 0.000 0.211 650 Q C 1.308 177.260 176.000 -0.082 0.000 1.005 650 Q CA 1.548 57.312 55.803 -0.066 0.000 0.866 650 Q CB -1.741 26.977 28.738 -0.033 0.000 0.938 650 Q HN 0.641 nan 8.270 nan 0.000 0.414 651 L N 0.399 121.575 121.223 -0.077 0.000 3.561 651 L HA -0.193 4.160 4.340 0.021 0.000 0.450 651 L C -1.274 175.552 176.870 -0.072 0.000 1.220 651 L CA -0.177 54.621 54.840 -0.069 0.000 0.729 651 L CB -0.282 41.733 42.059 -0.073 0.000 0.934 651 L HN 0.270 nan 8.230 nan 0.000 0.801 652 P HA -0.085 nan 4.420 nan 0.000 0.220 652 P C -0.515 176.751 177.300 -0.056 0.000 1.144 652 P CA 1.080 64.151 63.100 -0.048 0.000 0.800 652 P CB 0.171 31.849 31.700 -0.036 0.000 0.772 653 L N -3.451 117.730 121.223 -0.069 0.000 3.355 653 L HA 0.197 4.549 4.340 0.021 0.000 0.251 653 L C -0.286 176.535 176.870 -0.082 0.000 0.980 653 L CA -0.264 54.530 54.840 -0.078 0.000 1.051 653 L CB 0.546 42.574 42.059 -0.052 0.000 1.710 653 L HN -0.329 nan 8.230 nan 0.000 0.469 654 V N 1.991 121.841 119.914 -0.106 0.000 6.387 654 V HA 0.809 4.941 4.120 0.021 0.000 0.080 654 V C 0.711 176.744 176.094 -0.103 0.000 0.968 654 V CA 0.724 62.968 62.300 -0.093 0.000 0.764 654 V CB 0.049 31.814 31.823 -0.097 0.000 1.166 654 V HN 1.938 nan 8.190 nan 0.000 0.709 655 G N 1.054 109.752 108.800 -0.170 0.000 2.728 655 G HA2 -0.176 3.796 3.960 0.021 0.000 0.294 655 G HA3 -0.176 3.796 3.960 0.021 0.000 0.294 655 G C 0.274 175.113 174.900 -0.101 0.000 1.342 655 G CA 0.650 45.658 45.100 -0.153 0.000 0.866 655 G HN 0.892 nan 8.290 nan 0.000 0.534 656 R N 0.263 120.708 120.500 -0.092 0.000 2.204 656 R HA -0.171 4.182 4.340 0.021 0.000 0.253 656 R C 2.318 178.586 176.300 -0.053 0.000 1.172 656 R CA 1.842 57.879 56.100 -0.106 0.000 0.994 656 R CB -0.430 29.762 30.300 -0.179 0.000 0.874 656 R HN 0.645 nan 8.270 nan 0.000 0.462 657 R N 0.611 121.095 120.500 -0.027 0.000 2.513 657 R HA -0.207 4.145 4.340 0.021 0.000 0.184 657 R C 2.903 179.198 176.300 -0.008 0.000 0.867 657 R CA 2.476 58.574 56.100 -0.004 0.000 0.885 657 R CB -0.717 29.583 30.300 -0.000 0.000 0.651 657 R HN 0.419 nan 8.270 nan 0.000 0.489 658 R N 0.773 121.265 120.500 -0.013 0.000 2.075 658 R HA 0.032 4.385 4.340 0.021 0.000 0.232 658 R C 2.446 178.743 176.300 -0.005 0.000 1.126 658 R CA 1.874 57.969 56.100 -0.008 0.000 0.963 658 R CB -1.701 28.592 30.300 -0.013 0.000 0.858 658 R HN 0.577 nan 8.270 nan 0.000 0.435 659 A N 1.411 124.217 122.820 -0.024 0.000 1.893 659 A HA -0.361 3.972 4.320 0.021 0.000 0.222 659 A C 2.337 179.934 177.584 0.022 0.000 1.309 659 A CA 2.952 54.980 52.037 -0.017 0.000 0.681 659 A CB -0.757 18.206 19.000 -0.062 0.000 0.842 659 A HN 0.574 nan 8.150 nan 0.000 0.468 660 R N -0.200 120.300 120.500 -0.000 0.000 2.119 660 R HA -0.138 4.214 4.340 0.021 0.000 0.246 660 R C 2.208 178.553 176.300 0.075 0.000 1.146 660 R CA 2.363 58.476 56.100 0.023 0.000 0.962 660 R CB -0.957 29.338 30.300 -0.007 0.000 0.863 660 R HN 0.518 nan 8.270 nan 0.000 0.442 661 A N 0.284 123.131 122.820 0.046 0.000 1.873 661 A HA -0.056 4.277 4.320 0.021 0.000 0.215 661 A C 2.290 179.904 177.584 0.049 0.000 1.186 661 A CA 1.360 53.423 52.037 0.044 0.000 0.616 661 A CB -0.624 18.390 19.000 0.024 0.000 0.823 661 A HN 0.336 nan 8.150 nan 0.000 0.442 662 L N -1.931 119.319 121.223 0.045 0.000 1.963 662 L HA -0.281 4.072 4.340 0.021 0.000 0.220 662 L C 2.550 179.449 176.870 0.050 0.000 1.076 662 L CA 2.370 57.231 54.840 0.035 0.000 0.772 662 L CB -0.931 41.148 42.059 0.033 0.000 0.892 662 L HN 0.598 nan 8.230 nan 0.000 0.435 663 Y N 0.962 121.249 120.300 -0.022 0.000 2.516 663 Y HA -0.227 4.335 4.550 0.020 0.000 0.284 663 Y C 0.904 176.796 175.900 -0.013 0.000 1.166 663 Y CA 0.879 58.968 58.100 -0.018 0.000 1.350 663 Y CB -0.246 38.202 38.460 -0.020 0.000 0.967 663 Y HN 0.353 nan 8.280 nan 0.000 0.568 664 N N 0.000 118.715 118.700 0.025 0.000 1.763 664 N HA 0.000 4.752 4.740 0.021 0.000 0.220 664 N CA 0.000 53.039 53.050 -0.018 0.000 0.885 664 N CB 0.000 38.519 38.487 0.053 0.000 1.341 664 N HN 0.000 nan 8.380 nan 0.000 0.667