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 3eg9_1_A DATA FIRST_RESID 3 DATA SEQUENCE TYLEFIQQNE ERDGVRFSWN VWPSSRLEAT RMVVPVAALF TPLKERPDLP DATA SEQUENCE PIQYEPVLCS RTTCRAVLNP LCQVDYRAKL WACNFCYQRN QFPPSYAGIS DATA SEQUENCE ELNQPAELLP QFSSIEYVVL RGPQMPLIFL YVVDTCMEDE DLQALKESMQ DATA SEQUENCE MSLSLLPPTA LVGLITFGRM VQVHELGCEG ISKSYVFRGT KDLSAKQLQE DATA SEQUENCE MLGLSKVXXX XXXXXXXXXX XXXSNRFLQP VQKIDMNLTD LLGELQRDPW DATA SEQUENCE PVPQGKRPLR SSGVALSIAV GLLECTFPNT GARIMMFIGG PATQGPGMVV DATA SEQUENCE GDELKTPIRS WHDIDKDNAK YVKKGTKHFE ALANRAATTG HVIDIYACAL DATA SEQUENCE DQTGLLEMKC CPNLTGGYMV MGDSFNTSLF KQTFQRVFTK DMHGQFKMGF DATA SEQUENCE GGTLEIKTSR EIKISGAIGP CVSLNSKGPC VSENEIGTGG TCQWKICGLS DATA SEQUENCE PTTTLAIYFE VVNQHNAPIP QGGRGAIQFV TQYQHSSGQR RIRVTTIARN DATA SEQUENCE WADAQTQIQN IAASFDQEAA AILMARLAIY RAETEEGPDV LRWLDRQLIR DATA SEQUENCE LCQKFGEYHK DDPSSFRFSE TFSLYPQFMF HLRRSSFLQV FNNSPDESSY DATA SEQUENCE YRHHFMRQDL TQSLIMIQPI LYAYSFSGPP EPVLLDSSSI LADRILLMDT DATA SEQUENCE FFQILIYHGE TIAQWRKSGY QDMPEYENFR HLLQAPVDDA QEILHSRFPM DATA SEQUENCE PRYIDTEHGG SQARFLLSKV XXXXXXXXXX XXXXXXXXPI LTDDVSLQVF DATA SEQUENCE MDHLKKLAVS 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.775 174.700 0.125 0.000 1.109 3 T CA 0.000 62.163 62.100 0.106 0.000 1.349 3 T CB 0.000 68.923 68.868 0.091 0.000 0.612 4 Y N 1.602 121.923 120.300 0.034 0.000 2.333 4 Y HA 0.005 4.555 4.550 -0.001 0.000 0.290 4 Y C 2.293 178.249 175.900 0.094 0.000 1.144 4 Y CA 1.122 59.243 58.100 0.035 0.000 1.228 4 Y CB -0.289 38.154 38.460 -0.028 0.000 0.985 4 Y HN 0.578 nan 8.280 nan 0.000 0.542 5 L N -0.510 120.840 121.223 0.212 0.000 2.141 5 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 5 L C 2.009 178.946 176.870 0.112 0.000 1.094 5 L CA 1.322 56.244 54.840 0.136 0.000 0.763 5 L CB -0.502 41.610 42.059 0.089 0.000 0.908 5 L HN 0.329 nan 8.230 nan 0.000 0.437 6 E N -0.079 120.186 120.200 0.108 0.000 2.072 6 E HA -0.207 4.143 4.350 -0.001 0.000 0.190 6 E C 2.052 178.695 176.600 0.071 0.000 0.982 6 E CA 0.985 57.424 56.400 0.065 0.000 0.803 6 E CB -0.197 29.531 29.700 0.048 0.000 0.755 6 E HN 0.317 nan 8.360 nan 0.000 0.453 7 F N 2.236 122.159 119.950 -0.046 0.000 2.043 7 F HA -0.255 4.272 4.527 -0.001 0.000 0.297 7 F C 2.154 177.932 175.800 -0.035 0.000 1.121 7 F CA 1.532 59.487 58.000 -0.074 0.000 1.199 7 F CB -0.294 38.613 39.000 -0.156 0.000 0.968 7 F HN -0.113 nan 8.300 nan 0.000 0.478 8 I N 0.156 120.918 120.570 0.320 0.000 2.087 8 I HA -0.421 3.749 4.170 -0.001 0.000 0.240 8 I C 2.611 178.738 176.117 0.017 0.000 1.054 8 I CA 2.108 63.518 61.300 0.184 0.000 1.311 8 I CB -0.825 37.263 38.000 0.147 0.000 1.024 8 I HN 0.367 nan 8.210 nan 0.000 0.402 9 Q N 0.826 120.631 119.800 0.008 0.000 2.014 9 Q HA -0.299 4.041 4.340 -0.001 0.000 0.207 9 Q C 2.256 178.212 176.000 -0.073 0.000 0.993 9 Q CA 2.073 57.858 55.803 -0.029 0.000 0.850 9 Q CB -0.148 28.582 28.738 -0.014 0.000 0.916 9 Q HN 0.506 nan 8.270 nan 0.000 0.417 10 Q N 0.014 119.751 119.800 -0.105 0.000 2.077 10 Q HA -0.213 4.126 4.340 -0.001 0.000 0.206 10 Q C 1.755 177.641 176.000 -0.189 0.000 0.989 10 Q CA 1.914 57.629 55.803 -0.147 0.000 0.853 10 Q CB -0.221 28.409 28.738 -0.180 0.000 0.907 10 Q HN 0.502 nan 8.270 nan 0.000 0.418 11 N N 0.028 118.556 118.700 -0.287 0.000 2.512 11 N HA -0.126 4.614 4.740 -0.001 0.000 0.183 11 N C 1.436 176.882 175.510 -0.107 0.000 1.073 11 N CA 0.693 53.591 53.050 -0.253 0.000 0.911 11 N CB 0.134 38.372 38.487 -0.414 0.000 0.964 11 N HN 0.315 nan 8.380 nan 0.000 0.447 12 E N 0.796 120.943 120.200 -0.088 0.000 2.140 12 E HA -0.094 4.256 4.350 -0.001 0.000 0.191 12 E C 1.665 178.219 176.600 -0.077 0.000 0.973 12 E CA 0.447 56.807 56.400 -0.067 0.000 0.829 12 E CB 0.117 29.776 29.700 -0.067 0.000 0.781 12 E HN 0.324 nan 8.360 nan 0.000 0.466 13 E N 0.632 120.787 120.200 -0.075 0.000 2.106 13 E HA -0.182 4.167 4.350 -0.001 0.000 0.192 13 E C 2.239 178.806 176.600 -0.056 0.000 0.984 13 E CA 0.556 56.916 56.400 -0.066 0.000 0.806 13 E CB 0.115 29.780 29.700 -0.058 0.000 0.750 13 E HN 0.104 nan 8.360 nan 0.000 0.458 14 R N 0.132 120.597 120.500 -0.058 0.000 2.057 14 R HA -0.058 4.282 4.340 -0.001 0.000 0.224 14 R C 0.724 177.016 176.300 -0.013 0.000 1.136 14 R CA 1.492 57.571 56.100 -0.035 0.000 0.968 14 R CB 0.219 30.489 30.300 -0.050 0.000 0.863 14 R HN 0.105 nan 8.270 nan 0.000 0.433 15 D N -0.745 119.648 120.400 -0.013 0.000 2.402 15 D HA 0.118 4.758 4.640 -0.001 0.000 0.216 15 D C 0.355 176.655 176.300 0.001 0.000 1.128 15 D CA 0.462 54.479 54.000 0.028 0.000 0.833 15 D CB 0.782 41.626 40.800 0.074 0.000 0.971 15 D HN 0.493 nan 8.370 nan 0.000 0.503 16 G N 1.377 110.136 108.800 -0.067 0.000 2.416 16 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.301 16 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.301 16 G C 0.151 174.973 174.900 -0.130 0.000 0.985 16 G CA 0.515 45.525 45.100 -0.150 0.000 0.934 16 G HN 0.342 nan 8.290 nan 0.000 0.513 17 V N -0.220 119.672 119.914 -0.038 0.000 2.823 17 V HA 0.874 4.994 4.120 -0.001 0.000 0.312 17 V C -0.019 176.078 176.094 0.005 0.000 1.072 17 V CA -1.088 61.210 62.300 -0.002 0.000 0.937 17 V CB 2.054 33.943 31.823 0.110 0.000 1.013 17 V HN 0.413 nan 8.190 nan 0.000 0.430 18 R N 4.429 124.882 120.500 -0.078 0.000 2.549 18 R HA 0.391 4.731 4.340 -0.001 0.000 0.291 18 R C -1.768 174.478 176.300 -0.089 0.000 1.164 18 R CA -0.361 55.729 56.100 -0.017 0.000 0.973 18 R CB 1.697 31.945 30.300 -0.087 0.000 1.210 18 R HN 0.530 nan 8.270 nan 0.000 0.422 19 F N 0.300 120.294 119.950 0.072 0.000 2.378 19 F HA 0.147 4.673 4.527 -0.000 0.000 0.325 19 F C 2.002 177.797 175.800 -0.009 0.000 1.097 19 F CA -0.018 58.054 58.000 0.119 0.000 1.079 19 F CB 1.443 40.617 39.000 0.291 0.000 1.240 19 F HN 0.484 nan 8.300 nan 0.000 0.519 20 S N -0.480 115.319 115.700 0.165 0.000 2.395 20 S HA -0.029 4.440 4.470 -0.001 0.000 0.225 20 S C -0.284 174.090 174.600 -0.376 0.000 1.027 20 S CA 0.244 58.322 58.200 -0.203 0.000 0.965 20 S CB -0.287 62.861 63.200 -0.087 0.000 0.812 20 S HN 0.524 nan 8.310 nan 0.000 0.482 21 W N 0.751 122.237 121.300 0.311 0.000 2.819 21 W HA 0.609 5.269 4.660 -0.000 0.000 0.337 21 W C 0.256 176.946 176.519 0.284 0.000 1.077 21 W CA -0.954 56.572 57.345 0.301 0.000 1.226 21 W CB 1.122 30.812 29.460 0.385 0.000 1.419 21 W HN -0.117 nan 8.180 nan 0.000 0.502 22 N N 1.272 120.142 118.700 0.283 0.000 2.234 22 N HA 0.208 4.947 4.740 -0.001 0.000 0.227 22 N C -1.216 174.087 175.510 -0.345 0.000 1.151 22 N CA 0.266 53.270 53.050 -0.077 0.000 0.865 22 N CB 1.263 39.695 38.487 -0.091 0.000 1.066 22 N HN 0.092 nan 8.380 nan 0.000 0.515 23 V N 1.282 121.102 119.914 -0.156 0.000 2.711 23 V HA 0.344 4.464 4.120 -0.001 0.000 0.304 23 V C -1.235 174.874 176.094 0.025 0.000 1.097 23 V CA -0.837 61.334 62.300 -0.214 0.000 0.906 23 V CB 2.212 34.027 31.823 -0.013 0.000 1.015 23 V HN 0.073 nan 8.190 nan 0.000 0.427 24 W N 5.161 126.396 121.300 -0.108 0.000 2.578 24 W HA 0.528 5.188 4.660 -0.001 0.000 0.346 24 W C -2.411 174.174 176.519 0.109 0.000 1.075 24 W CA -3.153 54.144 57.345 -0.082 0.000 1.233 24 W CB 0.904 30.170 29.460 -0.324 0.000 1.358 24 W HN 0.259 nan 8.180 nan 0.000 0.574 25 P HA 0.017 nan 4.420 nan 0.000 0.282 25 P C 0.804 178.351 177.300 0.412 0.000 1.274 25 P CA 0.129 63.390 63.100 0.268 0.000 0.770 25 P CB 0.951 32.713 31.700 0.104 0.000 0.867 26 S N 1.681 117.565 115.700 0.307 0.000 2.584 26 S HA -0.019 4.451 4.470 -0.001 0.000 0.240 26 S C 0.681 175.215 174.600 -0.111 0.000 0.975 26 S CA 0.127 58.345 58.200 0.030 0.000 0.949 26 S CB -0.863 62.299 63.200 -0.063 0.000 0.761 26 S HN 0.590 nan 8.310 nan 0.000 0.536 27 S N -0.411 115.289 115.700 0.000 0.000 2.541 27 S HA 0.563 5.032 4.470 -0.001 0.000 0.280 27 S C 0.178 174.785 174.600 0.012 0.000 1.112 27 S CA -1.055 57.119 58.200 -0.043 0.000 0.925 27 S CB 1.958 65.130 63.200 -0.047 0.000 1.067 27 S HN 0.247 nan 8.310 nan 0.000 0.479 28 R N 0.338 120.837 120.500 -0.003 0.000 2.096 28 R HA -0.055 4.285 4.340 -0.001 0.000 0.235 28 R C 1.869 178.192 176.300 0.038 0.000 1.127 28 R CA 1.451 57.571 56.100 0.033 0.000 0.968 28 R CB -0.485 29.832 30.300 0.029 0.000 0.861 28 R HN 0.708 nan 8.270 nan 0.000 0.440 29 L N 1.484 122.720 121.223 0.021 0.000 1.961 29 L HA -0.158 4.182 4.340 -0.001 0.000 0.210 29 L C 1.716 178.602 176.870 0.027 0.000 1.072 29 L CA 2.006 56.861 54.840 0.025 0.000 0.749 29 L CB -0.539 41.528 42.059 0.014 0.000 0.889 29 L HN 0.219 nan 8.230 nan 0.000 0.432 30 E N -0.615 119.595 120.200 0.017 0.000 2.267 30 E HA -0.211 4.139 4.350 -0.001 0.000 0.197 30 E C 2.025 178.633 176.600 0.014 0.000 0.998 30 E CA 0.931 57.336 56.400 0.010 0.000 0.830 30 E CB -0.254 29.448 29.700 0.003 0.000 0.751 30 E HN 0.678 nan 8.360 nan 0.000 0.491 31 A N 0.618 123.455 122.820 0.029 0.000 1.930 31 A HA -0.092 4.228 4.320 -0.001 0.000 0.215 31 A C 2.312 179.939 177.584 0.072 0.000 1.176 31 A CA 1.248 53.301 52.037 0.028 0.000 0.632 31 A CB -0.485 18.549 19.000 0.057 0.000 0.819 31 A HN 0.123 nan 8.150 nan 0.000 0.445 32 T N 0.104 114.705 114.554 0.079 0.000 2.720 32 T HA -0.081 4.269 4.350 -0.001 0.000 0.268 32 T C 1.322 176.088 174.700 0.110 0.000 1.037 32 T CA 1.117 63.278 62.100 0.101 0.000 1.144 32 T CB -0.144 68.773 68.868 0.082 0.000 0.864 32 T HN 0.219 nan 8.240 nan 0.000 0.444 33 R N 0.569 121.116 120.500 0.079 0.000 3.351 33 R HA 0.396 4.735 4.340 -0.001 0.000 0.296 33 R C 0.668 177.020 176.300 0.087 0.000 1.427 33 R CA -0.022 56.122 56.100 0.074 0.000 1.257 33 R CB -0.531 29.788 30.300 0.033 0.000 1.378 33 R HN 0.407 nan 8.270 nan 0.000 0.610 34 M N -0.649 119.038 119.600 0.146 0.000 2.306 34 M HA 0.001 4.481 4.480 -0.001 0.000 0.292 34 M C 0.590 177.143 176.300 0.422 0.000 1.018 34 M CA 0.068 55.506 55.300 0.231 0.000 1.007 34 M CB 0.480 33.079 32.600 -0.003 0.000 1.510 34 M HN -0.019 nan 8.290 nan 0.000 0.537 35 V N -2.214 117.891 119.914 0.319 0.000 0.595 35 V HA -0.362 3.758 4.120 -0.001 0.000 0.092 35 V C 0.483 176.814 176.094 0.396 0.000 1.786 35 V CA 1.775 64.268 62.300 0.322 0.000 3.384 35 V CB -1.513 30.493 31.823 0.304 0.000 0.670 35 V HN 0.240 nan 8.190 nan 0.000 0.691 36 V N 4.463 124.702 119.914 0.541 0.000 2.427 36 V HA 0.337 4.457 4.120 -0.001 0.000 0.268 36 V C -1.277 175.237 176.094 0.700 0.000 1.046 36 V CA -0.818 61.834 62.300 0.588 0.000 0.970 36 V CB 0.906 33.068 31.823 0.565 0.000 1.001 36 V HN 0.566 nan 8.190 nan 0.000 0.476 37 P HA 0.050 nan 4.420 nan 0.000 0.270 37 P C -0.241 177.361 177.300 0.505 0.000 1.223 37 P CA -0.069 63.302 63.100 0.452 0.000 0.785 37 P CB 0.851 32.797 31.700 0.410 0.000 0.923 38 V N 1.847 121.996 119.914 0.391 0.000 2.390 38 V HA 0.289 4.409 4.120 -0.001 0.000 0.260 38 V C 0.959 177.301 176.094 0.413 0.000 1.043 38 V CA 0.619 63.140 62.300 0.368 0.000 1.047 38 V CB -1.001 30.775 31.823 -0.078 0.000 1.066 38 V HN 0.777 nan 8.190 nan 0.000 0.481 39 A N 4.562 127.604 122.820 0.369 0.000 2.485 39 A HA 1.047 5.366 4.320 -0.001 0.000 0.292 39 A C -0.381 177.188 177.584 -0.026 0.000 1.147 39 A CA -0.274 51.824 52.037 0.101 0.000 0.750 39 A CB 2.091 20.944 19.000 -0.245 0.000 1.331 39 A HN 1.276 nan 8.150 nan 0.000 0.419 40 A N -0.066 122.580 122.820 -0.291 0.000 2.520 40 A HA 0.638 4.957 4.320 -0.001 0.000 0.298 40 A C -1.789 175.557 177.584 -0.396 0.000 1.051 40 A CA -0.413 51.297 52.037 -0.544 0.000 0.690 40 A CB 1.090 19.374 19.000 -1.193 0.000 1.281 40 A HN 0.942 nan 8.150 nan 0.000 0.402 41 L N 2.122 123.141 121.223 -0.340 0.000 2.260 41 L HA 0.599 4.939 4.340 -0.001 0.000 0.289 41 L C -0.937 175.808 176.870 -0.209 0.000 1.057 41 L CA -0.173 54.502 54.840 -0.276 0.000 0.811 41 L CB 0.388 42.288 42.059 -0.265 0.000 1.184 41 L HN 0.588 nan 8.230 nan 0.000 0.429 42 F N 3.115 122.840 119.950 -0.375 0.000 2.477 42 F HA 0.520 5.047 4.527 -0.000 0.000 0.335 42 F C -0.178 175.410 175.800 -0.353 0.000 1.130 42 F CA -0.515 57.235 58.000 -0.417 0.000 0.948 42 F CB 1.576 40.273 39.000 -0.506 0.000 1.154 42 F HN 0.398 nan 8.300 nan 0.000 0.439 43 T N 8.824 122.756 114.554 -1.037 0.000 2.853 43 T HA 0.238 4.588 4.350 -0.001 0.000 0.317 43 T C -1.822 172.140 174.700 -1.231 0.000 1.059 43 T CA -1.115 60.437 62.100 -0.914 0.000 0.954 43 T CB 1.153 69.710 68.868 -0.517 0.000 0.994 43 T HN 0.445 nan 8.240 nan 0.000 0.479 44 P HA -0.006 nan 4.420 nan 0.000 0.220 44 P C 0.542 177.590 177.300 -0.419 0.000 1.148 44 P CA 0.844 63.462 63.100 -0.803 0.000 0.803 44 P CB 0.359 31.809 31.700 -0.416 0.000 0.782 45 L N -1.029 119.951 121.223 -0.405 0.000 3.141 45 L HA 0.316 4.655 4.340 -0.001 0.000 0.267 45 L C 0.682 177.418 176.870 -0.223 0.000 1.281 45 L CA -0.868 53.797 54.840 -0.291 0.000 1.037 45 L CB -0.040 41.811 42.059 -0.346 0.000 1.407 45 L HN -0.186 nan 8.230 nan 0.000 0.566 46 K N 2.070 122.325 120.400 -0.242 0.000 2.530 46 K HA -0.050 4.269 4.320 -0.001 0.000 0.280 46 K C 0.340 176.870 176.600 -0.116 0.000 1.004 46 K CA 0.301 56.475 56.287 -0.189 0.000 1.071 46 K CB 0.394 32.777 32.500 -0.194 0.000 0.876 46 K HN 0.111 nan 8.250 nan 0.000 0.487 47 E N 3.323 123.466 120.200 -0.095 0.000 2.529 47 E HA -0.126 4.224 4.350 -0.001 0.000 0.259 47 E C -0.247 176.328 176.600 -0.041 0.000 0.966 47 E CA 0.743 57.110 56.400 -0.056 0.000 0.937 47 E CB 0.500 30.170 29.700 -0.050 0.000 0.923 47 E HN 0.362 nan 8.360 nan 0.000 0.468 48 R N 3.564 124.053 120.500 -0.019 0.000 2.857 48 R HA 0.099 4.439 4.340 -0.001 0.000 0.216 48 R C -2.106 174.200 176.300 0.010 0.000 1.555 48 R CA -0.522 55.573 56.100 -0.007 0.000 1.408 48 R CB 0.365 30.659 30.300 -0.010 0.000 1.553 48 R HN 0.303 nan 8.270 nan 0.000 0.708 49 P HA -0.144 nan 4.420 nan 0.000 0.223 49 P C 0.399 177.718 177.300 0.031 0.000 1.151 49 P CA 0.847 63.963 63.100 0.028 0.000 0.787 49 P CB 0.339 32.048 31.700 0.015 0.000 0.788 50 D N -0.313 120.105 120.400 0.029 0.000 2.378 50 D HA -0.060 4.580 4.640 -0.001 0.000 0.227 50 D C 0.152 176.489 176.300 0.062 0.000 1.012 50 D CA 0.056 54.082 54.000 0.043 0.000 0.905 50 D CB 0.025 40.849 40.800 0.040 0.000 0.895 50 D HN 0.134 nan 8.370 nan 0.000 0.532 51 L N 1.740 122.983 121.223 0.033 0.000 2.329 51 L HA 0.461 4.801 4.340 -0.001 0.000 0.279 51 L C -2.407 174.419 176.870 -0.074 0.000 1.014 51 L CA -1.671 53.161 54.840 -0.013 0.000 0.814 51 L CB 1.822 43.857 42.059 -0.040 0.000 1.257 51 L HN -0.224 nan 8.230 nan 0.000 0.424 52 P HA 0.422 nan 4.420 nan 0.000 0.284 52 P C -2.655 174.507 177.300 -0.230 0.000 1.258 52 P CA -1.543 61.463 63.100 -0.157 0.000 0.824 52 P CB 1.063 32.670 31.700 -0.155 0.000 1.038 53 P HA 0.133 nan 4.420 nan 0.000 0.253 53 P C 0.762 177.892 177.300 -0.284 0.000 1.459 53 P CA -0.420 62.548 63.100 -0.220 0.000 0.908 53 P CB -0.679 30.924 31.700 -0.161 0.000 1.470 54 I N -1.726 118.651 120.570 -0.323 0.000 2.741 54 I HA -0.255 3.915 4.170 -0.001 0.000 0.133 54 I C -0.518 175.369 176.117 -0.384 0.000 0.884 54 I CA 0.863 61.945 61.300 -0.362 0.000 2.774 54 I CB -0.860 36.819 38.000 -0.534 0.000 0.560 54 I HN 0.089 nan 8.210 nan 0.000 0.352 55 Q N 7.254 126.940 119.800 -0.189 0.000 2.553 55 Q HA 0.495 4.835 4.340 -0.001 0.000 0.221 55 Q C -0.975 175.081 176.000 0.094 0.000 1.219 55 Q CA -0.327 55.429 55.803 -0.078 0.000 0.955 55 Q CB 0.222 28.952 28.738 -0.014 0.000 1.399 55 Q HN 0.739 nan 8.270 nan 0.000 0.551 56 Y N -2.553 117.816 120.300 0.115 0.000 2.765 56 Y HA 0.340 4.889 4.550 -0.001 0.000 0.350 56 Y C -0.925 175.088 175.900 0.188 0.000 1.196 56 Y CA -1.726 56.459 58.100 0.142 0.000 1.119 56 Y CB 0.528 39.077 38.460 0.148 0.000 1.368 56 Y HN 0.103 nan 8.280 nan 0.000 0.463 57 E N 3.764 124.187 120.200 0.371 0.000 2.437 57 E HA 0.182 4.531 4.350 -0.001 0.000 0.263 57 E C -1.679 174.975 176.600 0.089 0.000 1.030 57 E CA -1.503 54.994 56.400 0.162 0.000 0.934 57 E CB 0.619 30.382 29.700 0.104 0.000 0.943 57 E HN 0.518 nan 8.360 nan 0.000 0.444 58 P HA -0.113 nan 4.420 nan 0.000 0.218 58 P C -0.571 176.539 177.300 -0.317 0.000 1.149 58 P CA 0.640 63.218 63.100 -0.869 0.000 0.817 58 P CB 0.204 31.316 31.700 -0.979 0.000 0.785 59 V N -1.313 118.507 119.914 -0.156 0.000 3.275 59 V HA -0.180 3.940 4.120 -0.001 0.000 0.466 59 V C -0.166 175.882 176.094 -0.078 0.000 0.682 59 V CA 0.250 62.479 62.300 -0.118 0.000 2.001 59 V CB -1.864 29.837 31.823 -0.204 0.000 2.461 59 V HN 0.038 nan 8.190 nan 0.000 0.497 60 L N 4.010 125.249 121.223 0.026 0.000 2.319 60 L HA 0.723 5.063 4.340 -0.001 0.000 0.267 60 L C 0.673 177.693 176.870 0.250 0.000 1.011 60 L CA -0.631 54.274 54.840 0.109 0.000 0.818 60 L CB 1.857 43.930 42.059 0.024 0.000 1.316 60 L HN 0.766 nan 8.230 nan 0.000 0.432 61 C N 0.905 120.383 119.300 0.296 0.000 2.634 61 C HA 0.025 4.484 4.460 -0.001 0.000 0.417 61 C C 2.010 176.988 174.990 -0.021 0.000 1.334 61 C CA 0.358 59.443 59.018 0.112 0.000 1.829 61 C CB 0.409 28.206 27.740 0.096 0.000 2.665 61 C HN 1.008 nan 8.230 nan 0.000 0.614 62 S N 4.072 119.697 115.700 -0.125 0.000 2.489 62 S HA -0.054 4.415 4.470 -0.001 0.000 0.228 62 S C 0.918 175.475 174.600 -0.072 0.000 0.995 62 S CA 0.238 58.380 58.200 -0.096 0.000 0.934 62 S CB -0.233 62.889 63.200 -0.130 0.000 0.771 62 S HN 0.872 nan 8.310 nan 0.000 0.522 63 R N 1.551 122.008 120.500 -0.072 0.000 2.370 63 R HA 0.180 4.520 4.340 -0.001 0.000 0.309 63 R C 0.746 177.026 176.300 -0.034 0.000 1.059 63 R CA 0.499 56.571 56.100 -0.047 0.000 0.981 63 R CB 0.229 30.507 30.300 -0.037 0.000 0.972 63 R HN 0.218 nan 8.270 nan 0.000 0.437 64 T N 1.685 116.221 114.554 -0.030 0.000 2.720 64 T HA -0.202 4.147 4.350 -0.001 0.000 0.268 64 T C 1.639 176.323 174.700 -0.028 0.000 1.037 64 T CA 2.187 64.271 62.100 -0.027 0.000 1.144 64 T CB -0.245 68.608 68.868 -0.024 0.000 0.864 64 T HN 0.844 nan 8.240 nan 0.000 0.444 65 T N -1.493 113.047 114.554 -0.023 0.000 3.118 65 T HA 0.040 4.390 4.350 -0.001 0.000 0.260 65 T C 1.995 176.677 174.700 -0.029 0.000 1.139 65 T CA 0.604 62.690 62.100 -0.024 0.000 1.085 65 T CB -0.749 68.111 68.868 -0.013 0.000 0.934 65 T HN 0.513 nan 8.240 nan 0.000 0.518 66 C N 0.893 120.175 119.300 -0.030 0.000 3.434 66 C HA 0.589 5.049 4.460 -0.001 0.000 0.227 66 C C 1.527 176.480 174.990 -0.061 0.000 2.110 66 C CA 0.172 59.165 59.018 -0.041 0.000 1.357 66 C CB -0.224 27.510 27.740 -0.010 0.000 1.454 66 C HN 0.615 nan 8.230 nan 0.000 0.755 67 R N -0.063 120.418 120.500 -0.032 0.000 3.872 67 R HA -0.125 4.215 4.340 -0.001 0.000 0.341 67 R C 0.079 176.364 176.300 -0.024 0.000 1.172 67 R CA 0.777 56.864 56.100 -0.021 0.000 0.901 67 R CB -1.972 28.306 30.300 -0.036 0.000 1.422 67 R HN 0.881 nan 8.270 nan 0.000 0.523 68 A N -0.421 122.379 122.820 -0.032 0.000 2.475 68 A HA 0.382 4.702 4.320 -0.001 0.000 0.239 68 A C 0.310 177.924 177.584 0.051 0.000 1.087 68 A CA 0.358 52.352 52.037 -0.071 0.000 0.779 68 A CB 0.496 19.436 19.000 -0.100 0.000 1.036 68 A HN 0.145 nan 8.150 nan 0.000 0.506 69 V N 1.971 121.896 119.914 0.019 0.000 2.465 69 V HA 0.197 4.316 4.120 -0.001 0.000 0.279 69 V C 0.365 176.438 176.094 -0.035 0.000 1.045 69 V CA -0.541 61.755 62.300 -0.006 0.000 0.938 69 V CB 1.035 32.862 31.823 0.007 0.000 0.986 69 V HN 0.804 nan 8.190 nan 0.000 0.467 70 L N 6.309 127.368 121.223 -0.272 0.000 2.640 70 L HA 0.101 4.441 4.340 -0.001 0.000 0.280 70 L C 0.119 176.895 176.870 -0.156 0.000 1.229 70 L CA 0.899 55.389 54.840 -0.582 0.000 0.919 70 L CB -0.509 41.032 42.059 -0.864 0.000 1.168 70 L HN 1.029 nan 8.230 nan 0.000 0.496 71 N N 2.735 121.387 118.700 -0.079 0.000 2.647 71 N HA 0.587 5.327 4.740 -0.001 0.000 0.266 71 N C -2.606 172.942 175.510 0.064 0.000 1.373 71 N CA -1.625 51.464 53.050 0.064 0.000 0.807 71 N CB 1.119 39.693 38.487 0.144 0.000 1.513 71 N HN 0.129 nan 8.380 nan 0.000 0.505 72 P HA -0.086 nan 4.420 nan 0.000 0.221 72 P C 0.587 177.925 177.300 0.064 0.000 1.141 72 P CA 1.064 64.213 63.100 0.081 0.000 0.794 72 P CB 0.162 31.906 31.700 0.075 0.000 0.764 73 L N -2.607 118.645 121.223 0.048 0.000 2.558 73 L HA 0.028 4.368 4.340 -0.001 0.000 0.225 73 L C 0.561 177.457 176.870 0.043 0.000 1.128 73 L CA -0.039 54.810 54.840 0.016 0.000 0.868 73 L CB -0.366 41.658 42.059 -0.058 0.000 1.006 73 L HN -0.044 nan 8.230 nan 0.000 0.454 74 C N 0.711 120.063 119.300 0.088 0.000 2.452 74 C HA 0.270 4.729 4.460 -0.001 0.000 0.379 74 C C 0.643 175.740 174.990 0.179 0.000 1.275 74 C CA -1.002 58.115 59.018 0.165 0.000 2.056 74 C CB 0.478 28.363 27.740 0.241 0.000 2.506 74 C HN 0.355 nan 8.230 nan 0.000 0.560 75 Q N 1.229 121.145 119.800 0.194 0.000 2.327 75 Q HA 0.523 4.862 4.340 -0.001 0.000 0.254 75 Q C -0.782 175.349 176.000 0.218 0.000 0.952 75 Q CA -0.106 55.806 55.803 0.182 0.000 0.884 75 Q CB 0.923 29.755 28.738 0.156 0.000 1.224 75 Q HN 0.611 nan 8.270 nan 0.000 0.422 76 V N 1.644 121.663 119.914 0.176 0.000 2.531 76 V HA 0.133 4.252 4.120 -0.001 0.000 0.301 76 V C -0.783 175.304 176.094 -0.011 0.000 1.034 76 V CA -0.772 61.571 62.300 0.072 0.000 0.865 76 V CB 1.780 33.481 31.823 -0.202 0.000 0.995 76 V HN 0.716 nan 8.190 nan 0.000 0.424 77 D N 3.022 123.442 120.400 0.033 0.000 2.638 77 D HA 0.276 4.916 4.640 -0.001 0.000 0.245 77 D C 0.833 177.155 176.300 0.037 0.000 1.176 77 D CA -0.337 53.714 54.000 0.084 0.000 0.996 77 D CB 0.164 41.026 40.800 0.103 0.000 1.012 77 D HN 0.464 nan 8.370 nan 0.000 0.515 78 Y N 1.072 121.407 120.300 0.058 0.000 2.062 78 Y HA -0.253 4.296 4.550 -0.001 0.000 0.273 78 Y C 1.929 177.825 175.900 -0.007 0.000 1.206 78 Y CA 1.267 59.356 58.100 -0.018 0.000 1.125 78 Y CB -0.392 38.052 38.460 -0.026 0.000 0.951 78 Y HN 0.246 nan 8.280 nan 0.000 0.501 79 R N 0.514 121.123 120.500 0.182 0.000 4.792 79 R HA 0.396 4.735 4.340 -0.001 0.000 0.205 79 R C -0.165 176.183 176.300 0.080 0.000 1.875 79 R CA 0.738 56.901 56.100 0.106 0.000 1.588 79 R CB -0.618 29.737 30.300 0.092 0.000 1.401 79 R HN 0.374 nan 8.270 nan 0.000 0.834 80 A N 1.115 123.978 122.820 0.072 0.000 2.402 80 A HA 0.009 4.329 4.320 -0.001 0.000 0.220 80 A C -0.179 177.456 177.584 0.085 0.000 2.882 80 A CA -0.544 51.534 52.037 0.068 0.000 1.576 80 A CB 0.008 19.050 19.000 0.069 0.000 0.195 80 A HN 0.402 nan 8.150 nan 0.000 0.557 81 K N 0.263 120.705 120.400 0.069 0.000 3.213 81 K HA -0.198 4.121 4.320 -0.001 0.000 0.266 81 K C -0.357 176.465 176.600 0.370 0.000 0.911 81 K CA 1.298 57.650 56.287 0.108 0.000 0.684 81 K CB -2.114 30.454 32.500 0.112 0.000 1.402 81 K HN 0.689 nan 8.250 nan 0.000 0.465 82 L N 0.120 121.556 121.223 0.355 0.000 2.371 82 L HA 0.651 4.991 4.340 -0.001 0.000 0.262 82 L C -0.184 176.963 176.870 0.461 0.000 1.006 82 L CA -0.984 54.052 54.840 0.327 0.000 0.818 82 L CB 2.122 44.244 42.059 0.105 0.000 1.354 82 L HN 0.320 nan 8.230 nan 0.000 0.415 83 W N 1.469 122.798 121.300 0.048 0.000 3.022 83 W HA 0.804 5.463 4.660 -0.001 0.000 0.335 83 W C -1.515 174.975 176.519 -0.048 0.000 1.133 83 W CA -1.298 56.038 57.345 -0.016 0.000 1.219 83 W CB 1.602 30.939 29.460 -0.206 0.000 1.409 83 W HN 0.563 nan 8.180 nan 0.000 0.507 84 A N 3.422 126.368 122.820 0.210 0.000 2.260 84 A HA 0.448 4.768 4.320 -0.001 0.000 0.314 84 A C -0.118 177.586 177.584 0.201 0.000 1.257 84 A CA -0.440 51.631 52.037 0.057 0.000 0.871 84 A CB 0.388 19.448 19.000 0.101 0.000 1.166 84 A HN 0.851 nan 8.150 nan 0.000 0.522 85 C N 4.651 123.967 119.300 0.027 0.000 2.592 85 C HA 0.044 4.504 4.460 -0.001 0.000 0.408 85 C C 1.769 176.795 174.990 0.060 0.000 1.436 85 C CA 0.175 59.335 59.018 0.237 0.000 1.595 85 C CB -1.041 26.744 27.740 0.076 0.000 2.487 85 C HN 0.934 nan 8.230 nan 0.000 0.610 86 N N 4.007 122.736 118.700 0.049 0.000 2.512 86 N HA -0.113 4.626 4.740 -0.001 0.000 0.183 86 N C 1.000 176.207 175.510 -0.505 0.000 1.073 86 N CA 1.343 54.251 53.050 -0.237 0.000 0.911 86 N CB -0.306 38.026 38.487 -0.259 0.000 0.964 86 N HN 0.779 nan 8.380 nan 0.000 0.447 87 F N 0.764 120.598 119.950 -0.193 0.000 2.374 87 F HA 0.146 4.673 4.527 -0.000 0.000 0.291 87 F C 2.057 177.663 175.800 -0.323 0.000 1.084 87 F CA 0.476 58.357 58.000 -0.199 0.000 1.413 87 F CB 0.047 39.006 39.000 -0.069 0.000 1.099 87 F HN 0.287 nan 8.300 nan 0.000 0.534 88 C N -3.522 115.683 119.300 -0.159 0.000 3.512 88 C HA 0.404 4.863 4.460 -0.001 0.000 0.276 88 C C 0.641 175.602 174.990 -0.049 0.000 1.592 88 C CA -0.913 58.038 59.018 -0.112 0.000 1.803 88 C CB -1.590 26.170 27.740 0.033 0.000 2.996 88 C HN 0.656 nan 8.230 nan 0.000 0.590 89 Y N -0.464 119.866 120.300 0.050 0.000 4.522 89 Y HA -0.350 4.199 4.550 -0.000 0.000 0.299 89 Y C 1.049 176.921 175.900 -0.047 0.000 1.035 89 Y CA 1.403 59.508 58.100 0.009 0.000 2.036 89 Y CB -1.918 36.548 38.460 0.009 0.000 1.132 89 Y HN 0.633 nan 8.280 nan 0.000 0.471 90 Q N 2.860 122.675 119.800 0.026 0.000 2.485 90 Q HA -0.025 4.315 4.340 -0.001 0.000 0.348 90 Q C -0.044 175.833 176.000 -0.204 0.000 1.097 90 Q CA 0.530 56.286 55.803 -0.079 0.000 1.079 90 Q CB 0.553 29.218 28.738 -0.121 0.000 1.108 90 Q HN 0.135 nan 8.270 nan 0.000 0.400 91 R N 4.173 124.560 120.500 -0.188 0.000 2.390 91 R HA 0.369 4.709 4.340 -0.001 0.000 0.291 91 R C -0.433 175.604 176.300 -0.439 0.000 1.070 91 R CA -0.202 55.739 56.100 -0.265 0.000 1.014 91 R CB 0.359 30.573 30.300 -0.143 0.000 1.007 91 R HN 0.757 nan 8.270 nan 0.000 0.466 92 N N 1.535 119.800 118.700 -0.725 0.000 2.262 92 N HA 0.185 4.925 4.740 -0.001 0.000 0.295 92 N C -0.877 174.253 175.510 -0.633 0.000 1.161 92 N CA -0.731 51.792 53.050 -0.878 0.000 0.767 92 N CB 2.584 40.029 38.487 -1.737 0.000 1.499 92 N HN 0.385 nan 8.380 nan 0.000 0.476 93 Q N 0.460 120.066 119.800 -0.323 0.000 2.214 93 Q HA 0.465 4.804 4.340 -0.001 0.000 0.251 93 Q C -0.975 175.032 176.000 0.011 0.000 0.936 93 Q CA -0.534 55.234 55.803 -0.059 0.000 0.894 93 Q CB 1.040 29.768 28.738 -0.017 0.000 1.252 93 Q HN 0.366 nan 8.270 nan 0.000 0.448 94 F N 2.151 122.156 119.950 0.092 0.000 2.368 94 F HA 0.439 4.966 4.527 -0.001 0.000 0.315 94 F C -1.595 174.160 175.800 -0.077 0.000 1.145 94 F CA -1.641 56.363 58.000 0.007 0.000 1.095 94 F CB 0.356 39.355 39.000 -0.001 0.000 1.286 94 F HN 0.483 nan 8.300 nan 0.000 0.530 95 P HA 0.177 nan 4.420 nan 0.000 0.279 95 P C -2.308 175.063 177.300 0.119 0.000 1.252 95 P CA -1.466 61.635 63.100 0.001 0.000 0.811 95 P CB 0.915 32.560 31.700 -0.091 0.000 1.035 96 P HA -0.257 nan 4.420 nan 0.000 0.217 96 P C 1.537 178.919 177.300 0.137 0.000 1.162 96 P CA 2.210 65.374 63.100 0.106 0.000 0.901 96 P CB -0.613 31.130 31.700 0.071 0.000 0.793 97 S N -1.919 113.871 115.700 0.151 0.000 2.462 97 S HA -0.203 4.267 4.470 -0.001 0.000 0.243 97 S C 1.858 176.550 174.600 0.153 0.000 1.003 97 S CA 0.962 59.240 58.200 0.129 0.000 0.970 97 S CB -1.534 61.725 63.200 0.100 0.000 0.762 97 S HN 0.085 nan 8.310 nan 0.000 0.510 98 Y N 1.821 122.119 120.300 -0.003 0.000 2.544 98 Y HA 0.422 4.971 4.550 -0.001 0.000 0.286 98 Y C 2.585 178.455 175.900 -0.050 0.000 1.141 98 Y CA -0.740 57.349 58.100 -0.018 0.000 1.299 98 Y CB -1.046 37.457 38.460 0.073 0.000 1.030 98 Y HN 0.330 nan 8.280 nan 0.000 0.543 99 A N 0.764 123.655 122.820 0.119 0.000 1.886 99 A HA -0.399 3.921 4.320 -0.001 0.000 0.240 99 A C 2.654 180.247 177.584 0.014 0.000 1.875 99 A CA 2.639 54.707 52.037 0.051 0.000 0.760 99 A CB -1.600 17.427 19.000 0.045 0.000 0.849 99 A HN 0.498 nan 8.150 nan 0.000 0.505 100 G N -0.925 107.876 108.800 0.001 0.000 2.516 100 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.221 100 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.221 100 G C 0.786 175.683 174.900 -0.005 0.000 1.107 100 G CA 0.511 45.605 45.100 -0.009 0.000 0.747 100 G HN 0.867 nan 8.290 nan 0.000 0.567 101 I N 1.839 122.401 120.570 -0.014 0.000 3.076 101 I HA 0.080 4.250 4.170 -0.001 0.000 0.321 101 I C 0.231 176.445 176.117 0.162 0.000 1.216 101 I CA 0.687 62.005 61.300 0.029 0.000 1.460 101 I CB 0.367 38.296 38.000 -0.118 0.000 1.313 101 I HN 0.244 nan 8.210 nan 0.000 0.546 102 S N 5.216 121.007 115.700 0.153 0.000 2.547 102 S HA 0.292 4.762 4.470 -0.001 0.000 0.270 102 S C 0.471 174.695 174.600 -0.627 0.000 1.150 102 S CA -0.898 57.233 58.200 -0.115 0.000 0.850 102 S CB 1.676 64.814 63.200 -0.102 0.000 1.118 102 S HN 0.706 nan 8.310 nan 0.000 0.461 103 E N 0.786 120.280 120.200 -1.175 0.000 2.197 103 E HA -0.168 4.182 4.350 -0.001 0.000 0.205 103 E C 1.295 177.666 176.600 -0.382 0.000 1.029 103 E CA 1.792 57.639 56.400 -0.922 0.000 0.828 103 E CB -0.323 29.052 29.700 -0.543 0.000 0.737 103 E HN 0.690 nan 8.360 nan 0.000 0.464 104 L N -0.757 120.315 121.223 -0.253 0.000 2.616 104 L HA 0.109 4.449 4.340 -0.001 0.000 0.229 104 L C 0.280 177.099 176.870 -0.085 0.000 1.110 104 L CA 0.019 54.779 54.840 -0.133 0.000 0.884 104 L CB 0.232 42.230 42.059 -0.101 0.000 1.115 104 L HN -0.107 nan 8.230 nan 0.000 0.481 105 N N 0.801 119.451 118.700 -0.083 0.000 2.725 105 N HA 0.151 4.890 4.740 -0.001 0.000 0.248 105 N C -0.990 174.526 175.510 0.010 0.000 1.402 105 N CA -0.306 52.726 53.050 -0.030 0.000 0.766 105 N CB 0.805 39.274 38.487 -0.031 0.000 1.223 105 N HN 0.160 nan 8.380 nan 0.000 0.515 106 Q N 0.280 120.111 119.800 0.052 0.000 2.215 106 Q HA 0.638 4.978 4.340 -0.001 0.000 0.256 106 Q C -2.409 173.659 176.000 0.114 0.000 0.972 106 Q CA -1.965 53.923 55.803 0.142 0.000 0.889 106 Q CB 1.027 29.904 28.738 0.231 0.000 1.281 106 Q HN 0.190 nan 8.270 nan 0.000 0.456 107 P HA -0.017 nan 4.420 nan 0.000 0.271 107 P C 0.015 177.448 177.300 0.221 0.000 1.216 107 P CA 0.275 63.443 63.100 0.113 0.000 0.771 107 P CB 1.156 32.930 31.700 0.125 0.000 0.864 108 A N 4.952 127.924 122.820 0.255 0.000 1.909 108 A HA -0.285 4.035 4.320 -0.001 0.000 0.221 108 A C 1.957 179.779 177.584 0.398 0.000 1.223 108 A CA 2.369 54.641 52.037 0.391 0.000 0.658 108 A CB -1.429 17.702 19.000 0.218 0.000 0.831 108 A HN 0.739 nan 8.150 nan 0.000 0.462 109 E N -0.027 120.342 120.200 0.281 0.000 2.284 109 E HA -0.221 4.128 4.350 -0.001 0.000 0.200 109 E C 1.683 178.419 176.600 0.227 0.000 1.008 109 E CA 1.538 58.091 56.400 0.255 0.000 0.829 109 E CB -0.522 29.372 29.700 0.323 0.000 0.744 109 E HN 0.683 nan 8.360 nan 0.000 0.491 110 L N 0.645 122.001 121.223 0.222 0.000 2.529 110 L HA 0.179 4.518 4.340 -0.001 0.000 0.223 110 L C 1.032 177.985 176.870 0.139 0.000 1.113 110 L CA -0.142 54.800 54.840 0.171 0.000 0.861 110 L CB 0.102 42.277 42.059 0.193 0.000 1.012 110 L HN 0.044 nan 8.230 nan 0.000 0.461 111 L N 0.338 121.644 121.223 0.139 0.000 2.380 111 L HA 0.129 4.469 4.340 -0.001 0.000 0.273 111 L C -1.376 175.487 176.870 -0.011 0.000 1.138 111 L CA -1.611 53.236 54.840 0.013 0.000 0.832 111 L CB 0.185 42.163 42.059 -0.135 0.000 1.124 111 L HN -0.205 nan 8.230 nan 0.000 0.454 112 P HA -0.217 nan 4.420 nan 0.000 0.215 112 P C 1.382 178.640 177.300 -0.070 0.000 1.153 112 P CA 1.142 64.221 63.100 -0.035 0.000 0.853 112 P CB 0.068 31.739 31.700 -0.048 0.000 0.788 113 Q N -1.112 118.569 119.800 -0.198 0.000 2.308 113 Q HA -0.165 4.175 4.340 -0.001 0.000 0.209 113 Q C 1.127 177.051 176.000 -0.126 0.000 0.985 113 Q CA 1.452 57.090 55.803 -0.275 0.000 0.881 113 Q CB -1.203 27.210 28.738 -0.542 0.000 0.917 113 Q HN 0.336 nan 8.270 nan 0.000 0.443 114 F N 2.312 122.260 119.950 -0.003 0.000 2.668 114 F HA 0.190 4.717 4.527 -0.000 0.000 0.297 114 F C 0.481 176.289 175.800 0.013 0.000 1.124 114 F CA -0.924 57.072 58.000 -0.007 0.000 1.353 114 F CB 0.702 39.694 39.000 -0.014 0.000 0.992 114 F HN -0.002 nan 8.300 nan 0.000 0.524 115 S N 0.238 116.045 115.700 0.178 0.000 2.498 115 S HA 0.253 4.723 4.470 -0.001 0.000 0.281 115 S C 0.276 174.964 174.600 0.148 0.000 1.265 115 S CA -0.347 57.939 58.200 0.143 0.000 1.071 115 S CB 1.036 64.291 63.200 0.092 0.000 0.894 115 S HN 0.278 nan 8.310 nan 0.000 0.491 116 S N 2.195 117.985 115.700 0.150 0.000 3.285 116 S HA -0.078 4.391 4.470 -0.001 0.000 0.787 116 S C -0.755 173.882 174.600 0.062 0.000 0.607 116 S CA 0.267 58.539 58.200 0.120 0.000 1.506 116 S CB -1.501 61.760 63.200 0.101 0.000 1.010 116 S HN 1.258 nan 8.310 nan 0.000 0.914 117 I N 2.402 122.963 120.570 -0.016 0.000 3.004 117 I HA 0.641 4.811 4.170 -0.001 0.000 0.305 117 I C -0.969 174.995 176.117 -0.255 0.000 1.312 117 I CA -0.741 60.427 61.300 -0.221 0.000 0.992 117 I CB 2.055 39.831 38.000 -0.373 0.000 1.282 117 I HN 0.578 nan 8.210 nan 0.000 0.449 118 E N 3.802 123.794 120.200 -0.348 0.000 2.187 118 E HA 0.448 4.798 4.350 -0.001 0.000 0.268 118 E C -1.935 174.429 176.600 -0.394 0.000 0.896 118 E CA -0.485 55.782 56.400 -0.221 0.000 0.766 118 E CB 1.467 31.126 29.700 -0.068 0.000 1.142 118 E HN 0.468 nan 8.360 nan 0.000 0.408 119 Y N 1.333 121.576 120.300 -0.094 0.000 2.488 119 Y HA 0.431 4.981 4.550 -0.001 0.000 0.325 119 Y C -0.066 175.763 175.900 -0.118 0.000 1.204 119 Y CA -0.932 57.075 58.100 -0.154 0.000 1.229 119 Y CB 1.609 40.004 38.460 -0.109 0.000 1.274 119 Y HN 0.203 nan 8.280 nan 0.000 0.493 120 V N 2.571 122.513 119.914 0.045 0.000 2.266 120 V HA 0.195 4.314 4.120 -0.001 0.000 0.266 120 V C -0.414 175.692 176.094 0.021 0.000 1.036 120 V CA -0.963 61.334 62.300 -0.006 0.000 0.828 120 V CB 0.106 31.897 31.823 -0.053 0.000 1.081 120 V HN 0.549 nan 8.190 nan 0.000 0.449 121 V N 5.257 125.184 119.914 0.022 0.000 2.720 121 V HA -0.034 4.086 4.120 -0.001 0.000 0.307 121 V C 0.845 176.946 176.094 0.012 0.000 1.071 121 V CA 0.433 62.746 62.300 0.021 0.000 1.199 121 V CB 0.599 32.428 31.823 0.010 0.000 0.900 121 V HN 0.729 nan 8.190 nan 0.000 0.494 122 L N 5.001 126.239 121.223 0.024 0.000 3.029 122 L HA 0.326 4.666 4.340 -0.001 0.000 0.231 122 L C 1.691 178.571 176.870 0.016 0.000 1.327 122 L CA -0.422 54.430 54.840 0.021 0.000 1.166 122 L CB -0.401 41.678 42.059 0.033 0.000 1.532 122 L HN 0.633 nan 8.230 nan 0.000 0.473 123 R N 1.960 122.466 120.500 0.011 0.000 2.097 123 R HA -0.102 4.238 4.340 -0.001 0.000 0.236 123 R C 1.457 177.765 176.300 0.013 0.000 1.135 123 R CA 2.319 58.426 56.100 0.012 0.000 0.934 123 R CB -0.355 29.951 30.300 0.010 0.000 0.846 123 R HN 0.560 nan 8.270 nan 0.000 0.431 124 G N -2.356 106.451 108.800 0.012 0.000 3.038 124 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.197 124 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.197 124 G C -1.894 173.016 174.900 0.016 0.000 1.925 124 G CA -0.274 44.834 45.100 0.014 0.000 1.405 124 G HN 0.433 nan 8.290 nan 0.000 0.524 125 P HA 0.457 nan 4.420 nan 0.000 0.266 125 P C -0.586 176.729 177.300 0.026 0.000 1.419 125 P CA 0.284 63.401 63.100 0.028 0.000 1.112 125 P CB 0.989 32.709 31.700 0.034 0.000 1.438 126 Q N 3.921 123.734 119.800 0.022 0.000 2.534 126 Q HA 0.171 4.511 4.340 -0.001 0.000 0.223 126 Q C -0.198 175.815 176.000 0.021 0.000 1.239 126 Q CA 0.037 55.849 55.803 0.014 0.000 0.936 126 Q CB -0.015 28.728 28.738 0.009 0.000 1.457 126 Q HN 0.299 nan 8.270 nan 0.000 0.547 127 M N 4.433 124.045 119.600 0.020 0.000 2.241 127 M HA 0.378 4.858 4.480 -0.001 0.000 0.335 127 M C -2.022 174.267 176.300 -0.018 0.000 1.122 127 M CA -2.025 53.288 55.300 0.021 0.000 1.164 127 M CB 0.383 33.004 32.600 0.035 0.000 1.459 127 M HN 0.475 nan 8.290 nan 0.000 0.461 128 P HA 0.425 nan 4.420 nan 0.000 0.287 128 P C -0.950 176.286 177.300 -0.107 0.000 1.270 128 P CA -0.604 62.470 63.100 -0.042 0.000 0.844 128 P CB 1.001 32.689 31.700 -0.021 0.000 1.068 129 L N 1.866 123.041 121.223 -0.081 0.000 2.439 129 L HA 0.326 4.666 4.340 -0.001 0.000 0.269 129 L C 0.656 177.472 176.870 -0.091 0.000 1.179 129 L CA -0.323 54.402 54.840 -0.191 0.000 0.828 129 L CB -0.044 41.996 42.059 -0.032 0.000 1.106 129 L HN 0.248 nan 8.230 nan 0.000 0.467 130 I N 2.035 122.433 120.570 -0.287 0.000 2.406 130 I HA 0.335 4.505 4.170 -0.001 0.000 0.290 130 I C -1.012 174.975 176.117 -0.217 0.000 0.999 130 I CA -0.276 60.914 61.300 -0.183 0.000 1.124 130 I CB 1.487 39.288 38.000 -0.331 0.000 1.289 130 I HN 0.282 nan 8.210 nan 0.000 0.441 131 F N 6.670 126.650 119.950 0.051 0.000 2.460 131 F HA 0.439 4.966 4.527 -0.001 0.000 0.341 131 F C -0.462 175.424 175.800 0.144 0.000 1.130 131 F CA -0.705 57.357 58.000 0.103 0.000 0.962 131 F CB 1.680 40.801 39.000 0.203 0.000 1.171 131 F HN 0.220 nan 8.300 nan 0.000 0.436 132 L N 5.481 126.826 121.223 0.204 0.000 2.276 132 L HA 0.495 4.835 4.340 -0.001 0.000 0.286 132 L C -1.454 175.580 176.870 0.274 0.000 1.024 132 L CA -0.770 54.222 54.840 0.253 0.000 0.826 132 L CB 0.055 42.200 42.059 0.143 0.000 1.211 132 L HN 0.358 nan 8.230 nan 0.000 0.422 133 Y N 4.636 125.123 120.300 0.312 0.000 2.452 133 Y HA 0.383 4.933 4.550 -0.000 0.000 0.348 133 Y C 0.236 176.341 175.900 0.342 0.000 0.985 133 Y CA -0.490 57.839 58.100 0.380 0.000 1.214 133 Y CB 1.010 39.646 38.460 0.294 0.000 1.136 133 Y HN 0.258 nan 8.280 nan 0.000 0.523 134 V N 5.925 126.146 119.914 0.512 0.000 2.277 134 V HA 0.253 4.373 4.120 -0.001 0.000 0.269 134 V C -0.285 176.158 176.094 0.581 0.000 1.036 134 V CA -0.786 61.799 62.300 0.474 0.000 0.821 134 V CB 0.441 32.482 31.823 0.364 0.000 1.052 134 V HN 0.490 nan 8.190 nan 0.000 0.462 135 V N 3.408 123.580 119.914 0.431 0.000 2.439 135 V HA 0.374 4.493 4.120 -0.001 0.000 0.282 135 V C 0.027 176.000 176.094 -0.201 0.000 1.039 135 V CA -0.636 61.772 62.300 0.180 0.000 0.913 135 V CB 1.902 33.718 31.823 -0.011 0.000 0.983 135 V HN 0.844 nan 8.190 nan 0.000 0.460 136 D N 2.844 122.996 120.400 -0.414 0.000 2.255 136 D HA 0.333 4.972 4.640 -0.001 0.000 0.249 136 D C 0.882 176.877 176.300 -0.509 0.000 1.078 136 D CA -0.031 53.381 54.000 -0.979 0.000 0.896 136 D CB 1.859 42.364 40.800 -0.491 0.000 1.194 136 D HN 0.693 nan 8.370 nan 0.000 0.429 137 T N -0.462 113.821 114.554 -0.453 0.000 3.132 137 T HA 0.171 4.520 4.350 -0.001 0.000 0.274 137 T C 0.369 174.987 174.700 -0.137 0.000 1.011 137 T CA -0.403 61.560 62.100 -0.228 0.000 0.899 137 T CB -0.859 67.922 68.868 -0.145 0.000 1.089 137 T HN 0.339 nan 8.240 nan 0.000 0.543 138 C N 4.225 123.448 119.300 -0.127 0.000 2.225 138 C HA 0.787 5.246 4.460 -0.001 0.000 0.437 138 C C 0.272 175.244 174.990 -0.029 0.000 1.039 138 C CA -1.016 57.977 59.018 -0.043 0.000 1.406 138 C CB -2.288 25.450 27.740 -0.003 0.000 1.548 138 C HN 0.799 nan 8.230 nan 0.000 0.515 139 M N -0.839 118.740 119.600 -0.035 0.000 2.732 139 M HA 0.571 5.051 4.480 -0.001 0.000 0.272 139 M C -1.197 175.089 176.300 -0.023 0.000 1.203 139 M CA -0.572 54.718 55.300 -0.016 0.000 0.841 139 M CB 1.084 33.681 32.600 -0.004 0.000 1.685 139 M HN -0.066 nan 8.290 nan 0.000 0.492 140 E N 1.303 121.497 120.200 -0.011 0.000 2.418 140 E HA 0.036 4.385 4.350 -0.001 0.000 0.261 140 E C -0.142 176.442 176.600 -0.027 0.000 1.070 140 E CA 0.372 56.763 56.400 -0.015 0.000 0.931 140 E CB 0.631 30.326 29.700 -0.007 0.000 0.954 140 E HN 0.699 nan 8.360 nan 0.000 0.439 141 D N 1.580 121.962 120.400 -0.031 0.000 2.182 141 D HA -0.164 4.475 4.640 -0.001 0.000 0.201 141 D C 1.440 177.718 176.300 -0.035 0.000 0.986 141 D CA 1.225 55.201 54.000 -0.040 0.000 0.847 141 D CB 0.231 41.009 40.800 -0.036 0.000 0.942 141 D HN 0.459 nan 8.370 nan 0.000 0.467 142 E N 0.341 120.528 120.200 -0.020 0.000 2.038 142 E HA -0.177 4.172 4.350 -0.001 0.000 0.195 142 E C 1.502 178.099 176.600 -0.005 0.000 1.000 142 E CA 1.071 57.465 56.400 -0.010 0.000 0.803 142 E CB -0.015 29.684 29.700 -0.000 0.000 0.750 142 E HN 0.348 nan 8.360 nan 0.000 0.448 143 D N 0.875 121.277 120.400 0.004 0.000 2.095 143 D HA -0.175 4.465 4.640 -0.001 0.000 0.192 143 D C 2.075 178.342 176.300 -0.054 0.000 0.990 143 D CA 0.747 54.765 54.000 0.031 0.000 0.836 143 D CB -0.584 40.260 40.800 0.073 0.000 0.979 143 D HN 0.038 nan 8.370 nan 0.000 0.447 144 L N 0.842 122.001 121.223 -0.106 0.000 2.129 144 L HA -0.250 4.090 4.340 -0.001 0.000 0.212 144 L C 2.199 178.966 176.870 -0.172 0.000 1.087 144 L CA 1.701 56.426 54.840 -0.192 0.000 0.757 144 L CB -0.499 41.464 42.059 -0.159 0.000 0.896 144 L HN -0.051 nan 8.230 nan 0.000 0.434 145 Q N -0.283 119.453 119.800 -0.106 0.000 2.046 145 Q HA -0.111 4.229 4.340 -0.001 0.000 0.200 145 Q C 2.195 178.148 176.000 -0.079 0.000 0.975 145 Q CA 2.179 57.930 55.803 -0.087 0.000 0.836 145 Q CB -0.528 28.177 28.738 -0.054 0.000 0.896 145 Q HN 0.579 nan 8.270 nan 0.000 0.428 146 A N 0.397 123.191 122.820 -0.044 0.000 1.877 146 A HA -0.154 4.166 4.320 -0.001 0.000 0.216 146 A C 2.054 179.621 177.584 -0.029 0.000 1.186 146 A CA 1.576 53.619 52.037 0.010 0.000 0.620 146 A CB -1.067 17.983 19.000 0.083 0.000 0.822 146 A HN 0.479 nan 8.150 nan 0.000 0.443 147 L N 0.012 121.139 121.223 -0.159 0.000 2.013 147 L HA -0.213 4.127 4.340 -0.001 0.000 0.212 147 L C 2.220 178.887 176.870 -0.338 0.000 1.073 147 L CA 2.535 57.144 54.840 -0.385 0.000 0.753 147 L CB -0.678 40.898 42.059 -0.806 0.000 0.890 147 L HN 0.393 nan 8.230 nan 0.000 0.432 148 K N -0.523 119.710 120.400 -0.277 0.000 2.113 148 K HA -0.216 4.104 4.320 -0.001 0.000 0.208 148 K C 1.983 178.486 176.600 -0.162 0.000 1.047 148 K CA 2.025 58.172 56.287 -0.232 0.000 0.928 148 K CB -0.196 32.195 32.500 -0.182 0.000 0.716 148 K HN 0.520 nan 8.250 nan 0.000 0.446 149 E N -0.008 120.131 120.200 -0.101 0.000 2.072 149 E HA -0.106 4.243 4.350 -0.001 0.000 0.191 149 E C 2.115 178.709 176.600 -0.009 0.000 0.985 149 E CA 1.034 57.407 56.400 -0.046 0.000 0.801 149 E CB 0.042 29.736 29.700 -0.010 0.000 0.750 149 E HN 0.125 nan 8.360 nan 0.000 0.452 150 S N 0.581 116.293 115.700 0.020 0.000 2.382 150 S HA -0.141 4.329 4.470 -0.001 0.000 0.228 150 S C 1.950 176.639 174.600 0.149 0.000 1.027 150 S CA 1.054 59.328 58.200 0.124 0.000 0.991 150 S CB -0.083 63.199 63.200 0.136 0.000 0.823 150 S HN 0.224 nan 8.310 nan 0.000 0.469 151 M N 0.855 120.417 119.600 -0.063 0.000 2.132 151 M HA -0.147 4.333 4.480 -0.001 0.000 0.263 151 M C 2.398 178.672 176.300 -0.043 0.000 1.065 151 M CA 1.335 56.618 55.300 -0.028 0.000 1.122 151 M CB -0.487 31.949 32.600 -0.273 0.000 1.365 151 M HN 0.321 nan 8.290 nan 0.000 0.411 152 Q N -0.085 119.659 119.800 -0.094 0.000 2.084 152 Q HA -0.203 4.136 4.340 -0.001 0.000 0.202 152 Q C 2.162 178.121 176.000 -0.070 0.000 0.978 152 Q CA 1.559 57.301 55.803 -0.101 0.000 0.844 152 Q CB -0.321 28.363 28.738 -0.091 0.000 0.898 152 Q HN 0.537 nan 8.270 nan 0.000 0.426 153 M N 0.952 120.534 119.600 -0.030 0.000 2.080 153 M HA -0.201 4.279 4.480 -0.001 0.000 0.260 153 M C 2.176 178.391 176.300 -0.142 0.000 1.068 153 M CA 2.413 57.686 55.300 -0.046 0.000 1.109 153 M CB -0.380 32.225 32.600 0.008 0.000 1.342 153 M HN 0.241 nan 8.290 nan 0.000 0.405 154 S N 0.870 116.449 115.700 -0.200 0.000 2.368 154 S HA -0.170 4.300 4.470 -0.001 0.000 0.225 154 S C 1.887 176.265 174.600 -0.369 0.000 1.030 154 S CA 1.307 59.127 58.200 -0.634 0.000 0.999 154 S CB -1.195 61.531 63.200 -0.790 0.000 0.844 154 S HN 0.557 nan 8.310 nan 0.000 0.459 155 L N 2.880 124.015 121.223 -0.147 0.000 2.187 155 L HA -0.032 4.308 4.340 -0.001 0.000 0.213 155 L C 2.439 179.247 176.870 -0.104 0.000 1.100 155 L CA 1.875 56.651 54.840 -0.107 0.000 0.765 155 L CB -0.868 41.108 42.059 -0.138 0.000 0.904 155 L HN 0.616 nan 8.230 nan 0.000 0.437 156 S N -2.322 113.315 115.700 -0.105 0.000 2.528 156 S HA 0.033 4.503 4.470 -0.001 0.000 0.219 156 S C 1.714 176.282 174.600 -0.053 0.000 0.985 156 S CA 0.348 58.505 58.200 -0.071 0.000 0.914 156 S CB -0.405 62.760 63.200 -0.059 0.000 0.776 156 S HN 0.478 nan 8.310 nan 0.000 0.526 157 L N 0.695 121.881 121.223 -0.061 0.000 2.477 157 L HA 0.360 4.700 4.340 -0.001 0.000 0.220 157 L C 0.423 177.365 176.870 0.120 0.000 1.106 157 L CA -0.023 54.847 54.840 0.050 0.000 0.851 157 L CB -0.294 41.829 42.059 0.107 0.000 0.994 157 L HN 0.245 nan 8.230 nan 0.000 0.462 158 L N 1.055 122.301 121.223 0.040 0.000 2.456 158 L HA 0.141 4.480 4.340 -0.001 0.000 0.272 158 L C -2.014 174.814 176.870 -0.070 0.000 1.189 158 L CA -1.796 53.041 54.840 -0.006 0.000 0.846 158 L CB -0.411 41.555 42.059 -0.155 0.000 1.111 158 L HN -0.209 nan 8.230 nan 0.000 0.475 159 P HA 0.088 nan 4.420 nan 0.000 0.268 159 P C -2.072 175.211 177.300 -0.028 0.000 1.205 159 P CA -1.013 62.034 63.100 -0.087 0.000 0.771 159 P CB 0.239 31.890 31.700 -0.082 0.000 0.858 160 P HA -0.180 nan 4.420 nan 0.000 0.220 160 P C 1.211 178.515 177.300 0.006 0.000 1.144 160 P CA 1.655 64.749 63.100 -0.010 0.000 0.800 160 P CB -0.295 31.398 31.700 -0.013 0.000 0.772 161 T N -4.341 110.219 114.554 0.009 0.000 3.067 161 T HA 0.264 4.613 4.350 -0.001 0.000 0.257 161 T C 0.989 175.708 174.700 0.032 0.000 1.105 161 T CA 0.010 62.121 62.100 0.017 0.000 1.104 161 T CB -0.677 68.197 68.868 0.011 0.000 0.925 161 T HN 0.018 nan 8.240 nan 0.000 0.498 162 A N 2.086 124.942 122.820 0.061 0.000 2.520 162 A HA 0.505 4.825 4.320 -0.001 0.000 0.245 162 A C 0.301 177.954 177.584 0.114 0.000 1.072 162 A CA -0.348 51.767 52.037 0.129 0.000 0.761 162 A CB -0.307 18.843 19.000 0.250 0.000 1.004 162 A HN 0.622 nan 8.150 nan 0.000 0.499 163 L N 3.480 124.747 121.223 0.074 0.000 2.319 163 L HA 0.429 4.768 4.340 -0.001 0.000 0.280 163 L C 0.054 177.012 176.870 0.147 0.000 1.099 163 L CA -0.592 54.270 54.840 0.037 0.000 0.828 163 L CB 0.966 42.939 42.059 -0.143 0.000 1.150 163 L HN 0.616 nan 8.230 nan 0.000 0.442 164 V N 0.089 120.102 119.914 0.165 0.000 2.555 164 V HA 0.979 5.099 4.120 -0.001 0.000 0.302 164 V C 0.050 176.281 176.094 0.228 0.000 1.038 164 V CA -0.399 62.056 62.300 0.259 0.000 0.887 164 V CB 1.438 33.397 31.823 0.226 0.000 0.991 164 V HN 0.773 nan 8.190 nan 0.000 0.434 165 G N 3.206 112.189 108.800 0.304 0.000 2.591 165 G HA2 0.672 4.632 3.960 -0.001 0.000 0.306 165 G HA3 0.672 4.632 3.960 -0.001 0.000 0.306 165 G C -1.835 173.262 174.900 0.327 0.000 1.334 165 G CA -0.811 44.458 45.100 0.281 0.000 0.981 165 G HN 1.049 nan 8.290 nan 0.000 0.491 166 L N 2.019 123.412 121.223 0.283 0.000 2.356 166 L HA 0.775 5.115 4.340 -0.001 0.000 0.277 166 L C -0.898 176.206 176.870 0.389 0.000 0.996 166 L CA -0.855 54.151 54.840 0.276 0.000 0.822 166 L CB 1.389 43.497 42.059 0.082 0.000 1.256 166 L HN 0.441 nan 8.230 nan 0.000 0.413 167 I N 4.291 125.092 120.570 0.385 0.000 2.478 167 I HA 0.401 4.570 4.170 -0.001 0.000 0.287 167 I C -0.372 175.994 176.117 0.414 0.000 1.042 167 I CA -0.452 61.086 61.300 0.397 0.000 1.067 167 I CB 2.281 40.445 38.000 0.274 0.000 1.233 167 I HN 0.705 nan 8.210 nan 0.000 0.431 168 T N 3.314 118.134 114.554 0.443 0.000 2.918 168 T HA 0.829 5.179 4.350 -0.001 0.000 0.286 168 T C -0.654 174.264 174.700 0.363 0.000 1.026 168 T CA -0.558 61.740 62.100 0.331 0.000 1.031 168 T CB 1.978 71.029 68.868 0.305 0.000 1.046 168 T HN 0.424 nan 8.240 nan 0.000 0.479 169 F N -1.128 118.916 119.950 0.156 0.000 2.686 169 F HA 0.919 5.446 4.527 -0.000 0.000 0.311 169 F C 0.113 175.989 175.800 0.126 0.000 1.128 169 F CA -0.481 57.602 58.000 0.139 0.000 0.946 169 F CB 1.250 40.324 39.000 0.124 0.000 1.336 169 F HN 0.994 nan 8.300 nan 0.000 0.457 170 G N 1.063 110.058 108.800 0.325 0.000 3.403 170 G HA2 0.118 4.078 3.960 -0.001 0.000 0.156 170 G HA3 0.118 4.078 3.960 -0.001 0.000 0.156 170 G C 0.127 175.179 174.900 0.252 0.000 1.210 170 G CA -0.123 45.103 45.100 0.210 0.000 1.452 170 G HN 0.817 nan 8.290 nan 0.000 0.720 171 R N -0.268 120.353 120.500 0.201 0.000 2.115 171 R HA 0.291 4.631 4.340 -0.001 0.000 0.226 171 R C 0.734 177.062 176.300 0.046 0.000 1.100 171 R CA 0.943 57.074 56.100 0.051 0.000 0.980 171 R CB -0.177 30.015 30.300 -0.180 0.000 0.875 171 R HN 0.420 nan 8.270 nan 0.000 0.445 172 M N -0.502 119.184 119.600 0.144 0.000 2.658 172 M HA 0.333 4.813 4.480 -0.001 0.000 0.295 172 M C -1.085 175.361 176.300 0.244 0.000 1.248 172 M CA -1.186 54.208 55.300 0.156 0.000 0.843 172 M CB 2.745 35.429 32.600 0.141 0.000 1.749 172 M HN -0.323 nan 8.290 nan 0.000 0.464 173 V N 1.477 121.540 119.914 0.247 0.000 2.398 173 V HA 0.362 4.482 4.120 -0.001 0.000 0.286 173 V C -0.583 175.694 176.094 0.304 0.000 1.026 173 V CA -0.644 61.823 62.300 0.278 0.000 0.868 173 V CB 1.345 33.267 31.823 0.166 0.000 0.982 173 V HN 0.764 nan 8.190 nan 0.000 0.443 174 Q N 3.001 122.949 119.800 0.245 0.000 2.316 174 Q HA 0.618 4.958 4.340 -0.001 0.000 0.264 174 Q C -1.207 174.838 176.000 0.075 0.000 0.987 174 Q CA -0.651 55.229 55.803 0.128 0.000 0.852 174 Q CB 2.743 31.451 28.738 -0.050 0.000 1.287 174 Q HN 0.592 nan 8.270 nan 0.000 0.448 175 V N 3.883 123.869 119.914 0.121 0.000 2.293 175 V HA 0.154 4.274 4.120 -0.001 0.000 0.275 175 V C -0.265 175.938 176.094 0.183 0.000 1.021 175 V CA -0.759 61.615 62.300 0.122 0.000 0.815 175 V CB 0.484 32.325 31.823 0.030 0.000 1.025 175 V HN 0.734 nan 8.190 nan 0.000 0.448 176 H N 3.447 122.702 119.070 0.308 0.000 2.929 176 H HA 0.160 4.715 4.556 -0.001 0.000 0.317 176 H C 0.174 175.757 175.328 0.424 0.000 1.031 176 H CA 0.161 56.401 56.048 0.321 0.000 1.466 176 H CB 1.280 31.166 29.762 0.208 0.000 1.482 176 H HN 0.657 nan 8.280 nan 0.000 0.561 177 E N 4.808 125.292 120.200 0.474 0.000 2.044 177 E HA 0.218 4.568 4.350 -0.001 0.000 0.282 177 E C -0.401 176.312 176.600 0.187 0.000 1.031 177 E CA -0.492 56.080 56.400 0.288 0.000 0.824 177 E CB 0.327 30.145 29.700 0.196 0.000 1.076 177 E HN 0.429 nan 8.360 nan 0.000 0.395 178 L N 2.925 124.237 121.223 0.149 0.000 2.454 178 L HA 0.458 4.798 4.340 -0.001 0.000 0.256 178 L C 1.616 178.515 176.870 0.049 0.000 1.136 178 L CA 0.067 54.967 54.840 0.099 0.000 0.804 178 L CB 0.719 42.837 42.059 0.098 0.000 1.181 178 L HN 0.936 nan 8.230 nan 0.000 0.469 179 G N -0.577 108.245 108.800 0.036 0.000 2.507 179 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.240 179 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.240 179 G C 0.623 175.534 174.900 0.018 0.000 1.119 179 G CA 0.202 45.314 45.100 0.020 0.000 0.664 179 G HN 0.662 nan 8.290 nan 0.000 0.516 180 C N 3.670 122.985 119.300 0.025 0.000 2.550 180 C HA 0.389 4.849 4.460 -0.001 0.000 0.404 180 C C 1.021 176.025 174.990 0.024 0.000 1.406 180 C CA 0.053 59.086 59.018 0.025 0.000 1.368 180 C CB -1.935 25.831 27.740 0.043 0.000 2.363 180 C HN 0.453 nan 8.230 nan 0.000 0.625 181 E N 2.041 122.250 120.200 0.015 0.000 2.277 181 E HA 0.466 4.816 4.350 -0.001 0.000 0.274 181 E C 1.116 177.722 176.600 0.009 0.000 1.022 181 E CA 0.447 56.853 56.400 0.011 0.000 0.853 181 E CB 1.222 30.925 29.700 0.006 0.000 1.086 181 E HN 0.874 nan 8.360 nan 0.000 0.397 182 G N 2.219 111.022 108.800 0.007 0.000 2.268 182 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.240 182 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.240 182 G C 0.643 175.546 174.900 0.005 0.000 1.010 182 G CA 0.447 45.549 45.100 0.004 0.000 0.618 182 G HN 0.611 nan 8.290 nan 0.000 0.516 183 I N 0.166 120.743 120.570 0.011 0.000 4.578 183 I HA 0.321 4.491 4.170 -0.001 0.000 0.312 183 I C 0.848 176.978 176.117 0.022 0.000 1.224 183 I CA 1.556 62.863 61.300 0.012 0.000 1.318 183 I CB 0.590 38.595 38.000 0.009 0.000 1.388 183 I HN 1.331 nan 8.210 nan 0.000 0.461 184 S N 2.773 118.494 115.700 0.035 0.000 3.385 184 S HA -0.190 4.280 4.470 -0.001 0.000 0.613 184 S C -0.467 174.177 174.600 0.073 0.000 0.653 184 S CA 0.982 59.219 58.200 0.061 0.000 1.401 184 S CB -1.508 61.725 63.200 0.055 0.000 1.031 184 S HN 0.781 nan 8.310 nan 0.000 0.883 185 K N 1.527 121.985 120.400 0.096 0.000 2.346 185 K HA 0.898 5.218 4.320 -0.001 0.000 0.238 185 K C -0.478 176.205 176.600 0.137 0.000 1.039 185 K CA -0.306 56.027 56.287 0.076 0.000 0.861 185 K CB 2.107 34.623 32.500 0.027 0.000 1.278 185 K HN 1.498 nan 8.250 nan 0.000 0.460 186 S N -0.659 115.080 115.700 0.065 0.000 2.567 186 S HA 0.381 4.850 4.470 -0.001 0.000 0.270 186 S C -1.706 172.918 174.600 0.039 0.000 1.152 186 S CA -0.993 57.273 58.200 0.111 0.000 0.835 186 S CB 0.342 63.468 63.200 -0.123 0.000 1.115 186 S HN 0.503 nan 8.310 nan 0.000 0.459 187 Y N 0.656 121.011 120.300 0.093 0.000 2.328 187 Y HA 0.622 5.171 4.550 -0.000 0.000 0.337 187 Y C 0.007 175.920 175.900 0.021 0.000 1.008 187 Y CA -0.870 57.253 58.100 0.039 0.000 1.129 187 Y CB 1.629 40.193 38.460 0.174 0.000 1.185 187 Y HN 0.624 nan 8.280 nan 0.000 0.476 188 V N 5.107 124.949 119.914 -0.119 0.000 2.483 188 V HA 0.498 4.618 4.120 -0.001 0.000 0.295 188 V C -0.700 175.220 176.094 -0.290 0.000 1.035 188 V CA -0.976 61.307 62.300 -0.028 0.000 0.896 188 V CB 1.056 32.874 31.823 -0.008 0.000 0.986 188 V HN 0.455 nan 8.190 nan 0.000 0.447 189 F N 1.655 121.641 119.950 0.060 0.000 2.588 189 F HA 0.620 5.147 4.527 -0.000 0.000 0.314 189 F C 0.498 176.311 175.800 0.023 0.000 1.069 189 F CA -1.241 56.783 58.000 0.039 0.000 0.931 189 F CB 1.490 40.509 39.000 0.031 0.000 1.260 189 F HN 0.286 nan 8.300 nan 0.000 0.465 190 R N 0.434 121.039 120.500 0.174 0.000 2.484 190 R HA 0.249 4.589 4.340 -0.001 0.000 0.293 190 R C 1.038 177.384 176.300 0.077 0.000 1.023 190 R CA 0.303 56.450 56.100 0.078 0.000 1.037 190 R CB 0.117 30.439 30.300 0.035 0.000 0.951 190 R HN 0.983 nan 8.270 nan 0.000 0.418 191 G N 1.152 109.981 108.800 0.047 0.000 3.061 191 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.208 191 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.208 191 G C 0.945 175.835 174.900 -0.016 0.000 1.175 191 G CA 0.240 45.357 45.100 0.029 0.000 0.812 191 G HN 0.590 nan 8.290 nan 0.000 0.523 192 T N -0.414 114.130 114.554 -0.017 0.000 3.037 192 T HA 0.192 4.542 4.350 -0.001 0.000 0.251 192 T C 0.881 175.557 174.700 -0.039 0.000 1.079 192 T CA 0.313 62.391 62.100 -0.036 0.000 1.067 192 T CB -0.078 68.769 68.868 -0.035 0.000 0.948 192 T HN 0.541 nan 8.240 nan 0.000 0.496 193 K N 0.468 120.855 120.400 -0.021 0.000 2.464 193 K HA 0.462 4.782 4.320 -0.001 0.000 0.253 193 K C -1.036 175.554 176.600 -0.018 0.000 0.933 193 K CA -0.961 55.313 56.287 -0.021 0.000 0.801 193 K CB 1.741 34.241 32.500 -0.001 0.000 1.271 193 K HN -0.193 nan 8.250 nan 0.000 0.430 194 D N 1.626 122.011 120.400 -0.026 0.000 2.325 194 D HA 0.232 4.872 4.640 -0.001 0.000 0.237 194 D C -0.425 175.866 176.300 -0.015 0.000 1.328 194 D CA 0.379 54.369 54.000 -0.017 0.000 0.918 194 D CB 0.538 41.342 40.800 0.008 0.000 1.156 194 D HN 0.424 nan 8.370 nan 0.000 0.485 195 L N 0.232 121.436 121.223 -0.032 0.000 2.592 195 L HA 0.098 4.437 4.340 -0.001 0.000 0.258 195 L C -0.083 176.757 176.870 -0.050 0.000 0.926 195 L CA -0.719 54.098 54.840 -0.039 0.000 0.885 195 L CB 1.992 44.003 42.059 -0.081 0.000 1.380 195 L HN 0.380 nan 8.230 nan 0.000 0.415 196 S N 1.033 116.713 115.700 -0.034 0.000 2.652 196 S HA 0.540 5.010 4.470 -0.001 0.000 0.270 196 S C 1.105 175.679 174.600 -0.044 0.000 1.243 196 S CA 0.153 58.332 58.200 -0.036 0.000 0.999 196 S CB 1.847 65.034 63.200 -0.021 0.000 0.973 196 S HN 0.752 nan 8.310 nan 0.000 0.544 197 A N 1.231 124.027 122.820 -0.039 0.000 2.070 197 A HA -0.042 4.278 4.320 -0.001 0.000 0.220 197 A C 2.145 179.713 177.584 -0.027 0.000 1.159 197 A CA 1.544 53.559 52.037 -0.037 0.000 0.656 197 A CB -0.725 18.262 19.000 -0.022 0.000 0.800 197 A HN 0.920 nan 8.150 nan 0.000 0.453 198 K N -0.355 120.034 120.400 -0.018 0.000 1.980 198 K HA -0.163 4.157 4.320 -0.001 0.000 0.208 198 K C 2.204 178.804 176.600 0.000 0.000 1.043 198 K CA 1.404 57.686 56.287 -0.007 0.000 0.938 198 K CB -0.323 32.175 32.500 -0.004 0.000 0.724 198 K HN 0.580 nan 8.250 nan 0.000 0.438 199 Q N 0.594 120.396 119.800 0.004 0.000 2.118 199 Q HA -0.248 4.092 4.340 -0.001 0.000 0.211 199 Q C 2.159 178.179 176.000 0.033 0.000 0.998 199 Q CA 1.920 57.737 55.803 0.023 0.000 0.872 199 Q CB -0.322 28.431 28.738 0.025 0.000 0.925 199 Q HN 0.263 nan 8.270 nan 0.000 0.414 200 L N 0.920 122.136 121.223 -0.010 0.000 2.056 200 L HA -0.208 4.131 4.340 -0.001 0.000 0.207 200 L C 2.460 179.316 176.870 -0.022 0.000 1.078 200 L CA 1.866 56.681 54.840 -0.042 0.000 0.749 200 L CB -0.669 41.301 42.059 -0.149 0.000 0.901 200 L HN 0.254 nan 8.230 nan 0.000 0.433 201 Q N -0.351 119.440 119.800 -0.016 0.000 2.084 201 Q HA -0.243 4.097 4.340 -0.001 0.000 0.202 201 Q C 1.856 177.873 176.000 0.028 0.000 0.978 201 Q CA 2.167 57.971 55.803 0.001 0.000 0.844 201 Q CB -0.087 28.652 28.738 0.003 0.000 0.898 201 Q HN 0.710 nan 8.270 nan 0.000 0.426 202 E N 0.262 120.484 120.200 0.035 0.000 2.006 202 E HA -0.180 4.170 4.350 -0.001 0.000 0.192 202 E C 2.284 178.930 176.600 0.077 0.000 0.993 202 E CA 1.449 57.880 56.400 0.051 0.000 0.808 202 E CB -0.241 29.486 29.700 0.046 0.000 0.764 202 E HN 0.384 nan 8.360 nan 0.000 0.449 203 M N 0.782 120.444 119.600 0.103 0.000 2.088 203 M HA -0.215 4.264 4.480 -0.001 0.000 0.256 203 M C 2.344 178.742 176.300 0.162 0.000 1.071 203 M CA 1.560 56.956 55.300 0.159 0.000 1.097 203 M CB -0.446 32.311 32.600 0.262 0.000 1.315 203 M HN 0.119 nan 8.290 nan 0.000 0.406 204 L N -0.319 120.955 121.223 0.085 0.000 2.551 204 L HA 0.058 4.398 4.340 -0.001 0.000 0.228 204 L C 0.869 177.758 176.870 0.031 0.000 1.153 204 L CA 0.119 54.902 54.840 -0.096 0.000 0.851 204 L CB -1.037 40.880 42.059 -0.236 0.000 0.959 204 L HN 0.633 nan 8.230 nan 0.000 0.451 205 G N 1.481 110.332 108.800 0.084 0.000 2.415 205 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.283 205 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.283 205 G C -0.495 174.462 174.900 0.096 0.000 1.014 205 G CA -0.088 45.069 45.100 0.095 0.000 1.323 205 G HN 0.214 nan 8.290 nan 0.000 0.502 206 L N 0.302 121.574 121.223 0.082 0.000 2.309 206 L HA 0.759 5.098 4.340 -0.001 0.000 0.261 206 L C 1.212 178.106 176.870 0.040 0.000 1.021 206 L CA -0.641 54.246 54.840 0.079 0.000 0.823 206 L CB 1.958 44.079 42.059 0.103 0.000 1.366 206 L HN 0.549 nan 8.230 nan 0.000 0.423 207 S N 0.201 115.914 115.700 0.022 0.000 2.546 207 S HA 0.402 4.871 4.470 -0.001 0.000 0.265 207 S C -0.375 174.220 174.600 -0.008 0.000 1.190 207 S CA -0.643 57.559 58.200 0.004 0.000 1.014 207 S CB 0.461 63.657 63.200 -0.007 0.000 1.087 207 S HN 0.512 nan 8.310 nan 0.000 0.525 208 K N 0.381 120.771 120.400 -0.018 0.000 2.358 208 K HA 0.736 5.056 4.320 -0.001 0.000 0.260 208 K C -1.268 175.306 176.600 -0.044 0.000 0.956 208 K CA -0.625 55.647 56.287 -0.025 0.000 0.834 208 K CB 1.501 33.991 32.500 -0.015 0.000 1.102 208 K HN 0.541 nan 8.250 nan 0.000 0.431 227 N N 0.528 119.364 118.700 0.227 0.000 2.879 227 N HA 0.537 5.277 4.740 -0.001 0.000 0.329 227 N C 0.675 176.188 175.510 0.005 0.000 1.337 227 N CA -0.889 52.241 53.050 0.133 0.000 0.844 227 N CB 0.618 39.258 38.487 0.256 0.000 1.236 227 N HN 0.713 nan 8.380 nan 0.000 0.601 228 R N -0.476 119.898 120.500 -0.210 0.000 2.280 228 R HA 0.254 4.594 4.340 -0.001 0.000 0.195 228 R C 1.105 177.208 176.300 -0.329 0.000 0.935 228 R CA 0.649 56.541 56.100 -0.346 0.000 1.033 228 R CB 0.050 29.989 30.300 -0.601 0.000 0.964 228 R HN 0.410 nan 8.270 nan 0.000 0.489 229 F N 0.624 120.642 119.950 0.114 0.000 2.505 229 F HA 0.234 4.761 4.527 -0.001 0.000 0.289 229 F C 0.835 176.714 175.800 0.132 0.000 1.101 229 F CA -0.079 57.996 58.000 0.126 0.000 1.446 229 F CB 0.490 39.555 39.000 0.107 0.000 1.123 229 F HN -0.204 nan 8.300 nan 0.000 0.564 230 L N 1.535 122.938 121.223 0.299 0.000 2.345 230 L HA 0.435 4.774 4.340 -0.001 0.000 0.274 230 L C -0.769 176.175 176.870 0.123 0.000 0.999 230 L CA -0.305 54.647 54.840 0.186 0.000 0.849 230 L CB 1.274 43.409 42.059 0.126 0.000 1.220 230 L HN 0.052 nan 8.230 nan 0.000 0.422 231 Q N 2.949 122.810 119.800 0.101 0.000 2.458 231 Q HA 0.513 4.852 4.340 -0.001 0.000 0.282 231 Q C -2.541 173.494 176.000 0.057 0.000 1.106 231 Q CA -2.165 53.682 55.803 0.073 0.000 0.814 231 Q CB 2.711 31.486 28.738 0.063 0.000 1.425 231 Q HN 0.254 nan 8.270 nan 0.000 0.437 232 P HA -0.120 nan 4.420 nan 0.000 0.264 232 P C 0.361 177.681 177.300 0.033 0.000 1.183 232 P CA 0.358 63.480 63.100 0.037 0.000 0.763 232 P CB 0.583 32.300 31.700 0.030 0.000 0.807 233 V N 3.994 123.927 119.914 0.032 0.000 2.295 233 V HA -0.264 3.856 4.120 -0.001 0.000 0.246 233 V C 2.171 178.266 176.094 0.003 0.000 1.049 233 V CA 2.296 64.606 62.300 0.017 0.000 1.024 233 V CB -1.247 30.581 31.823 0.009 0.000 0.648 233 V HN 0.688 nan 8.190 nan 0.000 0.447 234 Q N 0.328 120.130 119.800 0.003 0.000 2.515 234 Q HA -0.152 4.188 4.340 -0.001 0.000 0.212 234 Q C 1.864 177.865 176.000 0.001 0.000 0.970 234 Q CA 1.488 57.289 55.803 -0.002 0.000 0.941 234 Q CB -0.150 28.587 28.738 -0.002 0.000 0.998 234 Q HN 0.633 nan 8.270 nan 0.000 0.518 235 K N -0.210 120.194 120.400 0.007 0.000 2.436 235 K HA 0.132 4.452 4.320 -0.001 0.000 0.198 235 K C 1.287 177.890 176.600 0.006 0.000 1.174 235 K CA -0.013 56.279 56.287 0.008 0.000 0.951 235 K CB 0.676 33.185 32.500 0.015 0.000 1.040 235 K HN 0.146 nan 8.250 nan 0.000 0.536 236 I N 1.555 122.129 120.570 0.006 0.000 3.081 236 I HA -0.095 4.075 4.170 -0.001 0.000 0.274 236 I C 1.501 177.609 176.117 -0.015 0.000 1.178 236 I CA 0.650 61.952 61.300 0.002 0.000 1.460 236 I CB -0.834 37.174 38.000 0.013 0.000 1.137 236 I HN 0.208 nan 8.210 nan 0.000 0.443 237 D N 0.974 121.362 120.400 -0.020 0.000 3.725 237 D HA -0.351 4.289 4.640 -0.001 0.000 0.413 237 D C 1.960 178.236 176.300 -0.040 0.000 1.205 237 D CA 2.647 56.626 54.000 -0.034 0.000 1.211 237 D CB -0.130 40.653 40.800 -0.028 0.000 0.901 237 D HN 0.136 nan 8.370 nan 0.000 0.578 238 M N 0.942 120.524 119.600 -0.030 0.000 2.399 238 M HA -0.233 4.246 4.480 -0.001 0.000 0.263 238 M C 1.773 178.052 176.300 -0.035 0.000 1.067 238 M CA 2.082 57.364 55.300 -0.031 0.000 1.084 238 M CB -0.809 31.778 32.600 -0.021 0.000 1.252 238 M HN 0.066 nan 8.290 nan 0.000 0.454 239 N N -0.011 118.673 118.700 -0.026 0.000 2.021 239 N HA -0.216 4.524 4.740 -0.001 0.000 0.198 239 N C 1.754 177.237 175.510 -0.045 0.000 1.041 239 N CA 1.955 54.990 53.050 -0.026 0.000 0.862 239 N CB -0.738 37.744 38.487 -0.009 0.000 1.048 239 N HN 0.408 nan 8.380 nan 0.000 0.427 240 L N 0.034 121.225 121.223 -0.053 0.000 2.012 240 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 240 L C 2.255 179.054 176.870 -0.118 0.000 1.073 240 L CA 1.582 56.368 54.840 -0.090 0.000 0.748 240 L CB -0.615 41.387 42.059 -0.096 0.000 0.891 240 L HN 0.308 nan 8.230 nan 0.000 0.431 241 T N -1.104 113.389 114.554 -0.102 0.000 2.881 241 T HA -0.185 4.164 4.350 -0.001 0.000 0.270 241 T C 1.409 176.053 174.700 -0.093 0.000 1.068 241 T CA 1.579 63.617 62.100 -0.105 0.000 1.131 241 T CB -0.163 68.655 68.868 -0.083 0.000 0.871 241 T HN 0.395 nan 8.240 nan 0.000 0.479 242 D N 0.774 121.129 120.400 -0.076 0.000 2.085 242 D HA -0.015 4.625 4.640 -0.001 0.000 0.199 242 D C 2.216 178.468 176.300 -0.080 0.000 0.981 242 D CA 0.698 54.659 54.000 -0.065 0.000 0.834 242 D CB -0.491 40.281 40.800 -0.047 0.000 0.992 242 D HN 0.333 nan 8.370 nan 0.000 0.457 243 L N 0.814 121.983 121.223 -0.090 0.000 1.989 243 L HA -0.195 4.144 4.340 -0.001 0.000 0.211 243 L C 2.602 179.382 176.870 -0.150 0.000 1.071 243 L CA 1.013 55.783 54.840 -0.117 0.000 0.749 243 L CB -0.314 41.657 42.059 -0.148 0.000 0.890 243 L HN 0.059 nan 8.230 nan 0.000 0.431 244 L N -0.749 120.372 121.223 -0.171 0.000 2.043 244 L HA -0.215 4.125 4.340 -0.001 0.000 0.212 244 L C 2.546 179.325 176.870 -0.152 0.000 1.075 244 L CA 1.535 56.261 54.840 -0.190 0.000 0.752 244 L CB -1.129 40.803 42.059 -0.212 0.000 0.891 244 L HN 0.390 nan 8.230 nan 0.000 0.432 245 G N -0.755 107.972 108.800 -0.121 0.000 2.421 245 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.217 245 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.217 245 G C 1.372 176.220 174.900 -0.087 0.000 1.143 245 G CA 0.269 45.311 45.100 -0.098 0.000 0.784 245 G HN 0.431 nan 8.290 nan 0.000 0.541 246 E N -0.253 119.897 120.200 -0.083 0.000 2.481 246 E HA 0.186 4.536 4.350 -0.001 0.000 0.195 246 E C 0.509 177.066 176.600 -0.073 0.000 1.047 246 E CA -0.501 55.858 56.400 -0.068 0.000 0.867 246 E CB 0.154 29.821 29.700 -0.055 0.000 0.858 246 E HN 0.285 nan 8.360 nan 0.000 0.513 247 L N 2.245 123.412 121.223 -0.095 0.000 2.540 247 L HA -0.063 4.276 4.340 -0.001 0.000 0.276 247 L C 0.194 177.012 176.870 -0.087 0.000 1.212 247 L CA 0.886 55.668 54.840 -0.096 0.000 0.893 247 L CB 0.324 42.303 42.059 -0.133 0.000 1.138 247 L HN 0.099 nan 8.230 nan 0.000 0.491 248 Q N 2.729 122.486 119.800 -0.072 0.000 2.451 248 Q HA 0.390 4.730 4.340 -0.001 0.000 0.281 248 Q C -0.815 175.142 176.000 -0.071 0.000 1.099 248 Q CA -1.029 54.730 55.803 -0.072 0.000 0.806 248 Q CB 2.450 31.150 28.738 -0.065 0.000 1.419 248 Q HN 0.540 nan 8.270 nan 0.000 0.427 249 R N 0.403 120.859 120.500 -0.073 0.000 2.698 249 R HA 0.038 4.377 4.340 -0.001 0.000 0.266 249 R C -0.288 175.979 176.300 -0.054 0.000 1.026 249 R CA -0.532 55.527 56.100 -0.067 0.000 1.102 249 R CB 0.221 30.485 30.300 -0.059 0.000 0.978 249 R HN 0.456 nan 8.270 nan 0.000 0.436 250 D N 3.936 124.318 120.400 -0.031 0.000 2.661 250 D HA -0.054 4.586 4.640 -0.001 0.000 0.244 250 D C -0.984 175.298 176.300 -0.030 0.000 1.196 250 D CA -1.359 52.650 54.000 0.015 0.000 0.881 250 D CB 0.945 41.798 40.800 0.089 0.000 1.141 250 D HN 0.481 nan 8.370 nan 0.000 0.530 251 P HA -0.189 nan 4.420 nan 0.000 0.213 251 P C 0.260 177.404 177.300 -0.260 0.000 1.170 251 P CA 0.733 63.651 63.100 -0.304 0.000 0.902 251 P CB -0.373 31.003 31.700 -0.539 0.000 0.789 252 W N 2.077 123.380 121.300 0.004 0.000 2.561 252 W HA 0.047 4.707 4.660 -0.000 0.000 0.343 252 W C -1.866 174.655 176.519 0.003 0.000 1.190 252 W CA -1.485 55.863 57.345 0.006 0.000 1.232 252 W CB -1.753 27.714 29.460 0.013 0.000 1.195 252 W HN 0.158 nan 8.180 nan 0.000 0.571 253 P HA 0.083 nan 4.420 nan 0.000 0.269 253 P C -0.599 176.765 177.300 0.108 0.000 1.209 253 P CA -0.294 62.866 63.100 0.099 0.000 0.776 253 P CB 0.605 32.345 31.700 0.067 0.000 0.876 254 V N 4.663 124.619 119.914 0.070 0.000 2.347 254 V HA 0.304 4.424 4.120 -0.001 0.000 0.280 254 V C -1.618 174.502 176.094 0.042 0.000 1.021 254 V CA -1.626 60.709 62.300 0.059 0.000 0.847 254 V CB 0.730 32.581 31.823 0.047 0.000 0.990 254 V HN 0.627 nan 8.190 nan 0.000 0.444 255 P HA 0.156 nan 4.420 nan 0.000 0.269 255 P C -0.603 176.711 177.300 0.023 0.000 1.215 255 P CA -0.504 62.614 63.100 0.030 0.000 0.780 255 P CB 0.618 32.335 31.700 0.030 0.000 0.898 256 Q N 0.518 120.329 119.800 0.019 0.000 2.315 256 Q HA 0.201 4.541 4.340 -0.001 0.000 0.289 256 Q C 1.469 177.478 176.000 0.015 0.000 1.044 256 Q CA 1.192 57.005 55.803 0.015 0.000 0.920 256 Q CB -0.368 28.378 28.738 0.013 0.000 1.214 256 Q HN 0.936 nan 8.270 nan 0.000 0.392 257 G N 1.470 110.278 108.800 0.013 0.000 2.184 257 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.264 257 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.264 257 G C 0.047 174.955 174.900 0.014 0.000 0.975 257 G CA 0.357 45.464 45.100 0.013 0.000 0.642 257 G HN 0.413 nan 8.290 nan 0.000 0.536 258 K N -0.180 120.230 120.400 0.016 0.000 2.238 258 K HA 0.663 4.982 4.320 -0.001 0.000 0.239 258 K C 0.437 177.046 176.600 0.016 0.000 0.987 258 K CA -0.813 55.484 56.287 0.016 0.000 0.857 258 K CB 1.469 33.981 32.500 0.020 0.000 1.154 258 K HN 0.246 nan 8.250 nan 0.000 0.439 259 R N 0.983 121.491 120.500 0.014 0.000 2.668 259 R HA 0.410 4.749 4.340 -0.001 0.000 0.279 259 R C -2.202 174.111 176.300 0.022 0.000 0.976 259 R CA -1.848 54.260 56.100 0.014 0.000 0.978 259 R CB 1.026 31.329 30.300 0.004 0.000 1.133 259 R HN 0.328 nan 8.270 nan 0.000 0.484 260 P HA 0.007 nan 4.420 nan 0.000 0.270 260 P C -0.712 176.614 177.300 0.044 0.000 1.223 260 P CA 0.018 63.145 63.100 0.046 0.000 0.785 260 P CB 0.506 32.235 31.700 0.049 0.000 0.923 261 L N 2.554 123.810 121.223 0.054 0.000 2.282 261 L HA 0.342 4.682 4.340 -0.001 0.000 0.287 261 L C 0.862 177.784 176.870 0.087 0.000 1.075 261 L CA -0.166 54.699 54.840 0.041 0.000 0.839 261 L CB 0.046 42.108 42.059 0.004 0.000 1.219 261 L HN 0.299 nan 8.230 nan 0.000 0.434 262 R N 1.728 122.292 120.500 0.107 0.000 2.310 262 R HA 0.278 4.618 4.340 -0.001 0.000 0.324 262 R C -0.031 176.397 176.300 0.213 0.000 0.955 262 R CA -0.275 55.955 56.100 0.217 0.000 0.830 262 R CB 1.135 31.564 30.300 0.213 0.000 1.154 262 R HN 0.465 nan 8.270 nan 0.000 0.458 263 S N 1.902 117.759 115.700 0.261 0.000 2.699 263 S HA 0.023 4.492 4.470 -0.001 0.000 0.251 263 S C 1.124 175.627 174.600 -0.160 0.000 1.179 263 S CA -0.347 57.887 58.200 0.056 0.000 1.200 263 S CB 0.453 63.676 63.200 0.038 0.000 0.848 263 S HN 0.670 nan 8.310 nan 0.000 0.472 264 S N 2.451 118.114 115.700 -0.062 0.000 2.390 264 S HA -0.228 4.242 4.470 -0.001 0.000 0.234 264 S C 2.325 176.839 174.600 -0.143 0.000 1.063 264 S CA 1.864 59.931 58.200 -0.221 0.000 1.108 264 S CB -0.840 62.455 63.200 0.159 0.000 0.975 264 S HN 0.769 nan 8.310 nan 0.000 0.442 265 G N 0.764 109.566 108.800 0.004 0.000 2.440 265 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.218 265 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.218 265 G C 1.433 176.261 174.900 -0.120 0.000 1.154 265 G CA 1.169 46.214 45.100 -0.092 0.000 0.767 265 G HN 0.466 nan 8.290 nan 0.000 0.552 266 V N 1.308 121.112 119.914 -0.184 0.000 2.379 266 V HA -0.012 4.108 4.120 -0.001 0.000 0.245 266 V C 3.282 179.267 176.094 -0.182 0.000 1.044 266 V CA 1.706 63.917 62.300 -0.148 0.000 1.036 266 V CB -0.718 31.030 31.823 -0.125 0.000 0.664 266 V HN 0.471 nan 8.190 nan 0.000 0.453 267 A N -0.142 122.482 122.820 -0.327 0.000 1.883 267 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 267 A C 2.298 179.760 177.584 -0.202 0.000 1.186 267 A CA 2.092 53.910 52.037 -0.364 0.000 0.624 267 A CB -0.658 17.756 19.000 -0.977 0.000 0.822 267 A HN 0.454 nan 8.150 nan 0.000 0.444 268 L N -0.605 120.522 121.223 -0.161 0.000 2.012 268 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 268 L C 2.883 179.728 176.870 -0.042 0.000 1.073 268 L CA 1.969 56.794 54.840 -0.026 0.000 0.748 268 L CB -0.384 41.731 42.059 0.094 0.000 0.891 268 L HN 0.524 nan 8.230 nan 0.000 0.431 269 S N -0.049 115.612 115.700 -0.064 0.000 2.370 269 S HA -0.199 4.270 4.470 -0.001 0.000 0.226 269 S C 1.877 176.413 174.600 -0.107 0.000 1.033 269 S CA 1.387 59.536 58.200 -0.085 0.000 1.011 269 S CB -0.262 62.910 63.200 -0.047 0.000 0.852 269 S HN 0.401 nan 8.310 nan 0.000 0.457 270 I N 1.227 121.710 120.570 -0.145 0.000 2.315 270 I HA -0.125 4.045 4.170 -0.001 0.000 0.248 270 I C 2.726 178.752 176.117 -0.152 0.000 1.117 270 I CA 1.023 62.194 61.300 -0.215 0.000 1.404 270 I CB -0.517 37.294 38.000 -0.315 0.000 1.071 270 I HN 0.373 nan 8.210 nan 0.000 0.419 271 A N 0.508 123.280 122.820 -0.080 0.000 1.873 271 A HA -0.116 4.203 4.320 -0.001 0.000 0.215 271 A C 2.435 180.016 177.584 -0.004 0.000 1.186 271 A CA 1.348 53.373 52.037 -0.021 0.000 0.616 271 A CB -0.898 18.125 19.000 0.038 0.000 0.823 271 A HN 0.194 nan 8.150 nan 0.000 0.442 272 V N 0.098 120.011 119.914 -0.001 0.000 2.255 272 V HA -0.236 3.884 4.120 -0.001 0.000 0.247 272 V C 2.832 178.943 176.094 0.028 0.000 1.051 272 V CA 2.191 64.509 62.300 0.030 0.000 1.018 272 V CB -1.459 30.366 31.823 0.004 0.000 0.641 272 V HN 0.616 nan 8.190 nan 0.000 0.445 273 G N -0.316 108.468 108.800 -0.026 0.000 2.422 273 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.218 273 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.218 273 G C 1.567 176.451 174.900 -0.028 0.000 1.146 273 G CA 1.068 46.147 45.100 -0.035 0.000 0.769 273 G HN 0.451 nan 8.290 nan 0.000 0.547 274 L N 0.505 121.695 121.223 -0.055 0.000 2.042 274 L HA 0.026 4.365 4.340 -0.001 0.000 0.210 274 L C 2.507 179.406 176.870 0.047 0.000 1.076 274 L CA 1.566 56.372 54.840 -0.056 0.000 0.749 274 L CB -0.471 41.531 42.059 -0.094 0.000 0.893 274 L HN 0.222 nan 8.230 nan 0.000 0.432 275 L N -1.019 120.253 121.223 0.082 0.000 2.341 275 L HA -0.063 4.277 4.340 -0.001 0.000 0.214 275 L C 2.463 179.498 176.870 0.276 0.000 1.115 275 L CA 0.869 55.802 54.840 0.156 0.000 0.820 275 L CB -0.494 41.545 42.059 -0.034 0.000 0.944 275 L HN 0.422 nan 8.230 nan 0.000 0.452 276 E N 0.448 120.765 120.200 0.195 0.000 2.072 276 E HA -0.242 4.107 4.350 -0.001 0.000 0.191 276 E C 2.146 178.797 176.600 0.084 0.000 0.985 276 E CA 1.726 58.211 56.400 0.142 0.000 0.801 276 E CB 0.098 29.835 29.700 0.061 0.000 0.750 276 E HN 0.688 nan 8.360 nan 0.000 0.452 277 C N -0.705 118.628 119.300 0.056 0.000 2.697 277 C HA 0.286 4.746 4.460 -0.001 0.000 0.267 277 C C 2.257 177.248 174.990 0.002 0.000 1.278 277 C CA 0.423 59.452 59.018 0.019 0.000 1.708 277 C CB -0.925 26.817 27.740 0.003 0.000 1.860 277 C HN 0.462 nan 8.230 nan 0.000 0.589 278 T N -3.124 111.454 114.554 0.039 0.000 3.151 278 T HA 0.371 4.721 4.350 -0.001 0.000 0.239 278 T C 0.209 174.697 174.700 -0.354 0.000 0.979 278 T CA 0.371 62.420 62.100 -0.085 0.000 1.194 278 T CB -0.336 68.636 68.868 0.173 0.000 0.982 278 T HN 0.279 nan 8.240 nan 0.000 0.428 279 F N 3.866 123.877 119.950 0.101 0.000 2.542 279 F HA 0.493 5.020 4.527 -0.001 0.000 0.323 279 F C -2.636 173.301 175.800 0.230 0.000 1.411 279 F CA -2.797 55.273 58.000 0.117 0.000 1.124 279 F CB 1.075 40.117 39.000 0.070 0.000 1.331 279 F HN 0.063 nan 8.300 nan 0.000 0.560 280 P HA 0.025 nan 4.420 nan 0.000 0.272 280 P C -0.289 177.073 177.300 0.104 0.000 1.230 280 P CA 0.069 63.254 63.100 0.141 0.000 0.788 280 P CB 0.633 32.353 31.700 0.034 0.000 0.949 281 N N -1.859 116.818 118.700 -0.038 0.000 2.671 281 N HA -0.159 4.581 4.740 -0.001 0.000 0.261 281 N C -0.299 175.271 175.510 0.101 0.000 1.053 281 N CA 1.259 54.309 53.050 0.001 0.000 0.732 281 N CB -1.918 36.572 38.487 0.005 0.000 0.887 281 N HN 0.678 nan 8.380 nan 0.000 0.546 282 T N -1.767 112.898 114.554 0.184 0.000 3.128 282 T HA 0.464 4.814 4.350 -0.001 0.000 0.363 282 T C 0.158 174.980 174.700 0.204 0.000 1.610 282 T CA 0.058 62.266 62.100 0.180 0.000 1.126 282 T CB 1.180 70.156 68.868 0.180 0.000 1.416 282 T HN 0.457 nan 8.240 nan 0.000 0.480 283 G N 1.706 110.554 108.800 0.080 0.000 2.224 283 G HA2 0.516 4.476 3.960 -0.001 0.000 0.239 283 G HA3 0.516 4.476 3.960 -0.001 0.000 0.239 283 G C 0.075 174.872 174.900 -0.172 0.000 1.240 283 G CA 0.397 45.492 45.100 -0.008 0.000 0.896 283 G HN 1.341 nan 8.290 nan 0.000 0.496 284 A N 3.228 126.052 122.820 0.007 0.000 2.585 284 A HA 0.668 4.987 4.320 -0.001 0.000 0.299 284 A C -0.373 177.160 177.584 -0.085 0.000 1.047 284 A CA -0.862 51.054 52.037 -0.202 0.000 0.723 284 A CB 1.148 19.928 19.000 -0.367 0.000 1.275 284 A HN 0.781 nan 8.150 nan 0.000 0.408 285 R N 1.678 122.046 120.500 -0.220 0.000 2.343 285 R HA 0.574 4.913 4.340 -0.001 0.000 0.320 285 R C -0.961 175.304 176.300 -0.059 0.000 0.956 285 R CA -0.439 55.586 56.100 -0.126 0.000 0.836 285 R CB 1.510 31.717 30.300 -0.156 0.000 1.151 285 R HN 0.626 nan 8.270 nan 0.000 0.450 286 I N 4.862 125.425 120.570 -0.011 0.000 2.297 286 I HA 0.225 4.395 4.170 -0.001 0.000 0.291 286 I C 0.187 176.346 176.117 0.070 0.000 1.033 286 I CA -0.144 61.180 61.300 0.039 0.000 1.253 286 I CB 0.817 38.845 38.000 0.047 0.000 1.396 286 I HN 0.456 nan 8.210 nan 0.000 0.476 287 M N 7.914 127.578 119.600 0.107 0.000 2.055 287 M HA 0.425 4.904 4.480 -0.001 0.000 0.346 287 M C -0.537 175.825 176.300 0.103 0.000 1.074 287 M CA -0.151 55.216 55.300 0.111 0.000 1.009 287 M CB 1.493 34.169 32.600 0.127 0.000 1.423 287 M HN 0.556 nan 8.290 nan 0.000 0.410 288 M N 4.069 123.719 119.600 0.085 0.000 2.088 288 M HA 0.501 4.981 4.480 -0.001 0.000 0.346 288 M C -1.792 174.617 176.300 0.180 0.000 1.111 288 M CA -0.412 55.019 55.300 0.219 0.000 1.017 288 M CB 0.751 33.485 32.600 0.223 0.000 1.568 288 M HN 0.491 nan 8.290 nan 0.000 0.445 289 F N 6.784 126.942 119.950 0.346 0.000 2.415 289 F HA 0.517 5.044 4.527 -0.000 0.000 0.348 289 F C 0.165 176.121 175.800 0.259 0.000 1.119 289 F CA -0.891 57.298 58.000 0.315 0.000 1.069 289 F CB 0.681 39.677 39.000 -0.006 0.000 1.124 289 F HN 0.461 nan 8.300 nan 0.000 0.472 290 I N -0.981 119.890 120.570 0.502 0.000 2.569 290 I HA 0.801 4.971 4.170 -0.001 0.000 0.296 290 I C 0.482 176.815 176.117 0.360 0.000 1.028 290 I CA -0.767 60.747 61.300 0.356 0.000 1.082 290 I CB 2.269 40.438 38.000 0.282 0.000 1.264 290 I HN 0.635 nan 8.210 nan 0.000 0.429 291 G N 2.863 111.804 108.800 0.234 0.000 3.020 291 G HA2 0.634 4.593 3.960 -0.001 0.000 0.217 291 G HA3 0.634 4.593 3.960 -0.001 0.000 0.217 291 G C 0.293 175.245 174.900 0.086 0.000 1.144 291 G CA 0.265 45.486 45.100 0.203 0.000 0.760 291 G HN 1.078 nan 8.290 nan 0.000 0.548 292 G N -0.419 108.429 108.800 0.080 0.000 2.554 292 G HA2 0.605 4.565 3.960 -0.001 0.000 0.306 292 G HA3 0.605 4.565 3.960 -0.001 0.000 0.306 292 G C -3.339 171.586 174.900 0.043 0.000 1.320 292 G CA -0.803 44.321 45.100 0.039 0.000 0.800 292 G HN -0.033 nan 8.290 nan 0.000 0.481 293 P HA 0.467 nan 4.420 nan 0.000 0.281 293 P C -0.225 177.090 177.300 0.025 0.000 1.249 293 P CA 0.023 63.122 63.100 -0.002 0.000 0.810 293 P CB 1.587 33.264 31.700 -0.039 0.000 1.008 294 A N 2.139 124.978 122.820 0.031 0.000 2.451 294 A HA 0.322 4.642 4.320 -0.001 0.000 0.266 294 A C 1.280 178.839 177.584 -0.042 0.000 1.119 294 A CA 0.240 52.306 52.037 0.048 0.000 0.786 294 A CB -0.736 18.323 19.000 0.099 0.000 1.061 294 A HN 0.636 nan 8.150 nan 0.000 0.503 295 T N -0.460 114.073 114.554 -0.034 0.000 3.044 295 T HA 0.276 4.626 4.350 -0.001 0.000 0.260 295 T C 0.383 175.027 174.700 -0.092 0.000 1.019 295 T CA 0.245 62.291 62.100 -0.091 0.000 0.921 295 T CB -0.042 68.799 68.868 -0.046 0.000 1.053 295 T HN 0.628 nan 8.240 nan 0.000 0.533 296 Q N 1.140 120.899 119.800 -0.068 0.000 3.255 296 Q HA 0.499 4.839 4.340 -0.001 0.000 0.231 296 Q C 0.479 176.424 176.000 -0.091 0.000 0.935 296 Q CA -0.671 55.093 55.803 -0.066 0.000 0.714 296 Q CB 0.776 29.492 28.738 -0.036 0.000 1.345 296 Q HN 0.568 nan 8.270 nan 0.000 0.463 297 G N 2.741 111.471 108.800 -0.117 0.000 2.846 297 G HA2 0.027 3.987 3.960 -0.001 0.000 0.257 297 G HA3 0.027 3.987 3.960 -0.001 0.000 0.257 297 G C -2.269 172.516 174.900 -0.192 0.000 1.253 297 G CA -0.667 44.331 45.100 -0.170 0.000 0.918 297 G HN 0.347 nan 8.290 nan 0.000 0.597 298 P HA 0.187 nan 4.420 nan 0.000 0.269 298 P C 0.982 177.837 177.300 -0.742 0.000 1.211 298 P CA 1.534 64.314 63.100 -0.533 0.000 0.781 298 P CB 0.529 31.806 31.700 -0.706 0.000 0.877 299 G N 0.557 108.963 108.800 -0.656 0.000 2.179 299 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.260 299 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.260 299 G C 0.326 175.243 174.900 0.028 0.000 0.977 299 G CA 0.098 44.992 45.100 -0.344 0.000 0.641 299 G HN 0.605 nan 8.290 nan 0.000 0.533 300 M N 0.719 120.260 119.600 -0.098 0.000 2.255 300 M HA 0.263 4.742 4.480 -0.001 0.000 0.356 300 M C 1.314 177.520 176.300 -0.155 0.000 1.338 300 M CA 0.739 55.951 55.300 -0.145 0.000 0.962 300 M CB 0.915 33.388 32.600 -0.211 0.000 1.877 300 M HN 0.048 nan 8.290 nan 0.000 0.463 301 V N 5.354 125.142 119.914 -0.210 0.000 3.635 301 V HA 0.233 4.352 4.120 -0.001 0.000 0.266 301 V C -0.105 175.813 176.094 -0.293 0.000 1.316 301 V CA 0.287 62.495 62.300 -0.153 0.000 1.060 301 V CB 1.324 33.112 31.823 -0.057 0.000 0.820 301 V HN 0.736 nan 8.190 nan 0.000 0.447 302 V N -1.541 118.046 119.914 -0.545 0.000 3.234 302 V HA 0.639 4.759 4.120 -0.001 0.000 0.280 302 V C 0.155 176.018 176.094 -0.385 0.000 1.580 302 V CA -0.248 61.796 62.300 -0.427 0.000 1.032 302 V CB 1.685 33.446 31.823 -0.104 0.000 1.203 302 V HN 0.298 nan 8.190 nan 0.000 0.459 303 G N 1.997 110.732 108.800 -0.109 0.000 2.771 303 G HA2 0.173 4.133 3.960 -0.001 0.000 0.242 303 G HA3 0.173 4.133 3.960 -0.001 0.000 0.242 303 G C 0.581 175.461 174.900 -0.033 0.000 1.233 303 G CA 0.616 45.711 45.100 -0.008 0.000 0.858 303 G HN 1.077 nan 8.290 nan 0.000 0.591 304 D N -1.357 119.038 120.400 -0.008 0.000 2.360 304 D HA -0.048 4.591 4.640 -0.001 0.000 0.210 304 D C 0.492 176.797 176.300 0.008 0.000 1.047 304 D CA 0.124 54.120 54.000 -0.006 0.000 0.854 304 D CB -0.019 40.779 40.800 -0.004 0.000 0.936 304 D HN 0.692 nan 8.370 nan 0.000 0.514 305 E N 1.306 121.517 120.200 0.019 0.000 2.089 305 E HA 0.249 4.599 4.350 -0.001 0.000 0.284 305 E C 1.153 177.765 176.600 0.020 0.000 1.023 305 E CA -0.514 55.899 56.400 0.021 0.000 0.819 305 E CB 1.908 31.623 29.700 0.026 0.000 1.076 305 E HN -0.002 nan 8.360 nan 0.000 0.396 306 L N 2.734 123.966 121.223 0.015 0.000 2.137 306 L HA -0.287 4.053 4.340 -0.001 0.000 0.213 306 L C 2.248 179.127 176.870 0.015 0.000 1.085 306 L CA 1.512 56.359 54.840 0.012 0.000 0.760 306 L CB -0.589 41.476 42.059 0.010 0.000 0.893 306 L HN 0.627 nan 8.230 nan 0.000 0.434 307 K N -0.511 119.900 120.400 0.017 0.000 2.107 307 K HA -0.154 4.166 4.320 -0.001 0.000 0.211 307 K C 0.585 177.198 176.600 0.021 0.000 1.049 307 K CA 1.427 57.724 56.287 0.018 0.000 0.927 307 K CB -0.454 32.057 32.500 0.019 0.000 0.714 307 K HN 0.343 nan 8.250 nan 0.000 0.452 308 T N 3.276 117.847 114.554 0.028 0.000 2.767 308 T HA 0.222 4.572 4.350 -0.001 0.000 0.288 308 T C -2.190 172.529 174.700 0.032 0.000 0.963 308 T CA -1.503 60.619 62.100 0.036 0.000 1.019 308 T CB 1.640 70.542 68.868 0.057 0.000 0.923 308 T HN 0.078 nan 8.240 nan 0.000 0.468 309 P HA 0.365 nan 4.420 nan 0.000 0.276 309 P C -0.231 177.083 177.300 0.023 0.000 1.244 309 P CA -0.670 62.442 63.100 0.020 0.000 0.801 309 P CB 0.920 32.631 31.700 0.018 0.000 1.006 310 I N 2.111 122.684 120.570 0.005 0.000 2.692 310 I HA 0.051 4.221 4.170 -0.001 0.000 0.284 310 I C 1.759 177.873 176.117 -0.004 0.000 1.159 310 I CA -0.593 60.706 61.300 -0.003 0.000 1.423 310 I CB 0.115 38.093 38.000 -0.036 0.000 1.380 310 I HN 0.424 nan 8.210 nan 0.000 0.580 311 R N 4.849 125.354 120.500 0.008 0.000 2.644 311 R HA -0.036 4.304 4.340 -0.001 0.000 0.265 311 R C -0.262 176.010 176.300 -0.048 0.000 0.985 311 R CA 0.194 56.295 56.100 0.001 0.000 1.097 311 R CB -0.162 30.138 30.300 0.001 0.000 0.931 311 R HN 0.799 nan 8.270 nan 0.000 0.419 312 S N 1.315 117.019 115.700 0.007 0.000 2.798 312 S HA 0.307 4.777 4.470 -0.001 0.000 0.312 312 S C 0.786 175.434 174.600 0.081 0.000 1.122 312 S CA -0.912 57.304 58.200 0.027 0.000 0.949 312 S CB 0.899 64.190 63.200 0.152 0.000 1.235 312 S HN 0.766 nan 8.310 nan 0.000 0.552 313 W N -0.220 121.134 121.300 0.090 0.000 2.436 313 W HA 0.007 4.667 4.660 -0.000 0.000 0.284 313 W C 2.580 179.186 176.519 0.144 0.000 1.225 313 W CA 0.698 58.061 57.345 0.030 0.000 1.271 313 W CB -0.096 29.304 29.460 -0.100 0.000 1.114 313 W HN 0.771 nan 8.180 nan 0.000 0.559 314 H N -0.168 119.198 119.070 0.493 0.000 2.333 314 H HA -0.141 4.415 4.556 -0.001 0.000 0.302 314 H C 1.712 177.172 175.328 0.220 0.000 1.075 314 H CA 1.723 57.971 56.048 0.335 0.000 1.348 314 H CB -0.547 29.320 29.762 0.177 0.000 1.393 314 H HN 0.077 nan 8.280 nan 0.000 0.509 315 D N 1.089 121.662 120.400 0.288 0.000 2.127 315 D HA -0.175 4.465 4.640 -0.001 0.000 0.190 315 D C 2.226 178.621 176.300 0.159 0.000 1.000 315 D CA 0.944 55.047 54.000 0.172 0.000 0.839 315 D CB -0.573 40.297 40.800 0.116 0.000 0.955 315 D HN 0.325 nan 8.370 nan 0.000 0.446 316 I N 0.459 121.133 120.570 0.174 0.000 2.530 316 I HA -0.231 3.938 4.170 -0.001 0.000 0.257 316 I C 1.648 177.879 176.117 0.191 0.000 1.179 316 I CA 1.438 62.837 61.300 0.166 0.000 1.440 316 I CB 0.136 38.242 38.000 0.177 0.000 1.087 316 I HN -0.127 nan 8.210 nan 0.000 0.440 317 D N 0.830 121.369 120.400 0.233 0.000 2.240 317 D HA -0.081 4.559 4.640 -0.001 0.000 0.206 317 D C 1.624 178.009 176.300 0.141 0.000 0.963 317 D CA 0.694 54.813 54.000 0.198 0.000 0.863 317 D CB 0.222 41.178 40.800 0.260 0.000 0.973 317 D HN 0.364 nan 8.370 nan 0.000 0.501 318 K N 0.984 121.469 120.400 0.141 0.000 2.551 318 K HA -0.048 4.272 4.320 -0.001 0.000 0.192 318 K C 0.213 176.856 176.600 0.072 0.000 1.027 318 K CA 0.063 56.408 56.287 0.097 0.000 1.059 318 K CB 0.284 32.842 32.500 0.095 0.000 0.831 318 K HN -0.017 nan 8.250 nan 0.000 0.508 319 D N 1.306 121.752 120.400 0.077 0.000 2.772 319 D HA -0.217 4.423 4.640 -0.001 0.000 0.233 319 D C -0.592 175.729 176.300 0.036 0.000 1.143 319 D CA 0.587 54.618 54.000 0.053 0.000 0.700 319 D CB -1.442 39.381 40.800 0.038 0.000 1.076 319 D HN 0.450 nan 8.370 nan 0.000 0.430 320 N N -0.744 117.984 118.700 0.047 0.000 2.380 320 N HA 0.354 5.094 4.740 -0.001 0.000 0.255 320 N C -0.501 175.023 175.510 0.023 0.000 1.158 320 N CA 0.134 53.202 53.050 0.029 0.000 0.878 320 N CB 0.300 38.812 38.487 0.042 0.000 1.138 320 N HN 0.211 nan 8.380 nan 0.000 0.509 321 A N 1.322 124.153 122.820 0.017 0.000 2.483 321 A HA 0.180 4.499 4.320 -0.001 0.000 0.308 321 A C 0.839 178.400 177.584 -0.039 0.000 1.291 321 A CA -0.709 51.337 52.037 0.016 0.000 0.774 321 A CB 0.412 19.439 19.000 0.045 0.000 1.134 321 A HN 0.457 nan 8.150 nan 0.000 0.471 322 K N 0.748 121.054 120.400 -0.156 0.000 2.432 322 K HA -0.013 4.307 4.320 -0.001 0.000 0.196 322 K C 0.291 176.681 176.600 -0.350 0.000 1.038 322 K CA 1.265 57.376 56.287 -0.293 0.000 0.986 322 K CB -0.213 32.028 32.500 -0.432 0.000 0.782 322 K HN 0.664 nan 8.250 nan 0.000 0.485 323 Y N 0.656 120.964 120.300 0.013 0.000 2.353 323 Y HA -0.003 4.547 4.550 -0.001 0.000 0.294 323 Y C 2.379 178.296 175.900 0.027 0.000 1.135 323 Y CA -0.048 58.063 58.100 0.017 0.000 1.176 323 Y CB -0.121 38.347 38.460 0.015 0.000 1.124 323 Y HN -0.246 nan 8.280 nan 0.000 0.537 324 V N 1.206 121.223 119.914 0.172 0.000 2.265 324 V HA -0.510 3.610 4.120 -0.001 0.000 0.260 324 V C 2.067 178.222 176.094 0.101 0.000 1.084 324 V CA 2.609 64.971 62.300 0.104 0.000 1.086 324 V CB -0.766 31.092 31.823 0.059 0.000 0.704 324 V HN 0.415 nan 8.190 nan 0.000 0.457 325 K N -0.674 119.773 120.400 0.078 0.000 2.057 325 K HA -0.167 4.153 4.320 -0.001 0.000 0.206 325 K C 2.261 178.911 176.600 0.083 0.000 1.050 325 K CA 1.549 57.877 56.287 0.069 0.000 0.935 325 K CB -0.240 32.286 32.500 0.044 0.000 0.715 325 K HN 0.486 nan 8.250 nan 0.000 0.439 326 K N 0.011 120.465 120.400 0.090 0.000 2.031 326 K HA -0.058 4.262 4.320 -0.001 0.000 0.205 326 K C 2.355 179.031 176.600 0.126 0.000 1.049 326 K CA 1.255 57.598 56.287 0.092 0.000 0.939 326 K CB -0.309 32.243 32.500 0.087 0.000 0.717 326 K HN 0.238 nan 8.250 nan 0.000 0.438 327 G N 0.785 109.687 108.800 0.169 0.000 2.469 327 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.219 327 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.219 327 G C 1.501 176.607 174.900 0.343 0.000 1.150 327 G CA 1.522 46.760 45.100 0.230 0.000 0.763 327 G HN 0.236 nan 8.290 nan 0.000 0.561 328 T N 0.098 114.803 114.554 0.252 0.000 2.821 328 T HA -0.025 4.325 4.350 -0.001 0.000 0.267 328 T C 2.204 177.022 174.700 0.197 0.000 1.046 328 T CA 1.332 63.580 62.100 0.246 0.000 1.139 328 T CB -0.111 68.839 68.868 0.137 0.000 0.871 328 T HN 0.357 nan 8.240 nan 0.000 0.454 329 K N 0.089 120.571 120.400 0.136 0.000 2.152 329 K HA -0.225 4.094 4.320 -0.001 0.000 0.206 329 K C 2.168 178.808 176.600 0.066 0.000 1.048 329 K CA 1.510 57.849 56.287 0.085 0.000 0.933 329 K CB -0.133 32.406 32.500 0.066 0.000 0.721 329 K HN 0.445 nan 8.250 nan 0.000 0.447 330 H N -0.365 118.679 119.070 -0.043 0.000 2.276 330 H HA -0.098 4.457 4.556 -0.000 0.000 0.301 330 H C 1.659 176.842 175.328 -0.242 0.000 1.073 330 H CA 2.406 58.334 56.048 -0.199 0.000 1.311 330 H CB -0.445 29.090 29.762 -0.378 0.000 1.379 330 H HN 0.147 nan 8.280 nan 0.000 0.494 331 F N 0.669 120.616 119.950 -0.005 0.000 2.161 331 F HA -0.143 4.383 4.527 -0.001 0.000 0.300 331 F C 2.718 178.466 175.800 -0.086 0.000 1.089 331 F CA 1.550 59.506 58.000 -0.073 0.000 1.282 331 F CB -0.346 38.664 39.000 0.017 0.000 1.010 331 F HN 0.313 nan 8.300 nan 0.000 0.485 332 E N 0.421 120.688 120.200 0.112 0.000 2.058 332 E HA -0.246 4.104 4.350 -0.001 0.000 0.194 332 E C 2.312 178.904 176.600 -0.013 0.000 0.997 332 E CA 1.420 57.853 56.400 0.056 0.000 0.801 332 E CB -0.305 29.427 29.700 0.052 0.000 0.746 332 E HN 0.297 nan 8.360 nan 0.000 0.450 333 A N 0.540 123.316 122.820 -0.074 0.000 1.883 333 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 333 A C 2.249 179.757 177.584 -0.126 0.000 1.186 333 A CA 1.541 53.515 52.037 -0.105 0.000 0.624 333 A CB -0.836 18.076 19.000 -0.146 0.000 0.822 333 A HN 0.326 nan 8.150 nan 0.000 0.444 334 L N -0.917 120.185 121.223 -0.202 0.000 2.012 334 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 334 L C 3.172 180.012 176.870 -0.050 0.000 1.073 334 L CA 1.161 55.907 54.840 -0.157 0.000 0.748 334 L CB -0.709 41.227 42.059 -0.204 0.000 0.891 334 L HN 0.474 nan 8.230 nan 0.000 0.431 335 A N 0.765 123.581 122.820 -0.008 0.000 1.873 335 A HA -0.297 4.023 4.320 -0.001 0.000 0.218 335 A C 1.961 179.549 177.584 0.006 0.000 1.193 335 A CA 2.620 54.670 52.037 0.021 0.000 0.629 335 A CB -0.973 18.054 19.000 0.045 0.000 0.826 335 A HN 0.537 nan 8.150 nan 0.000 0.447 336 N N -1.027 117.670 118.700 -0.005 0.000 2.244 336 N HA -0.094 4.646 4.740 -0.001 0.000 0.183 336 N C 1.897 177.394 175.510 -0.021 0.000 1.016 336 N CA 1.248 54.293 53.050 -0.008 0.000 0.866 336 N CB -0.173 38.308 38.487 -0.009 0.000 0.980 336 N HN 0.504 nan 8.380 nan 0.000 0.430 337 R N 0.599 121.080 120.500 -0.032 0.000 2.064 337 R HA 0.014 4.354 4.340 -0.001 0.000 0.228 337 R C 2.320 178.599 176.300 -0.034 0.000 1.144 337 R CA 1.397 57.475 56.100 -0.037 0.000 0.932 337 R CB -0.450 29.823 30.300 -0.045 0.000 0.833 337 R HN 0.197 nan 8.270 nan 0.000 0.429 338 A N 1.089 123.902 122.820 -0.012 0.000 1.892 338 A HA -0.220 4.099 4.320 -0.001 0.000 0.218 338 A C 2.349 179.922 177.584 -0.018 0.000 1.188 338 A CA 2.040 54.084 52.037 0.011 0.000 0.631 338 A CB -0.889 18.143 19.000 0.055 0.000 0.822 338 A HN 0.480 nan 8.150 nan 0.000 0.447 339 A N -1.288 121.528 122.820 -0.008 0.000 1.877 339 A HA -0.110 4.210 4.320 -0.001 0.000 0.216 339 A C 2.300 179.866 177.584 -0.029 0.000 1.186 339 A CA 2.341 54.374 52.037 -0.006 0.000 0.620 339 A CB -1.344 17.661 19.000 0.008 0.000 0.822 339 A HN 0.435 nan 8.150 nan 0.000 0.443 340 T N -0.118 114.414 114.554 -0.037 0.000 2.915 340 T HA -0.070 4.280 4.350 -0.001 0.000 0.269 340 T C 1.655 176.302 174.700 -0.088 0.000 1.071 340 T CA 1.786 63.857 62.100 -0.048 0.000 1.132 340 T CB -0.345 68.499 68.868 -0.040 0.000 0.878 340 T HN 0.585 nan 8.240 nan 0.000 0.479 341 T N 0.146 114.613 114.554 -0.144 0.000 3.100 341 T HA 0.351 4.701 4.350 -0.001 0.000 0.253 341 T C 1.520 175.967 174.700 -0.422 0.000 1.118 341 T CA 0.560 62.496 62.100 -0.273 0.000 1.058 341 T CB 0.017 68.683 68.868 -0.337 0.000 0.953 341 T HN 0.524 nan 8.240 nan 0.000 0.515 342 G N 1.795 110.448 108.800 -0.245 0.000 2.171 342 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.238 342 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.238 342 G C -0.287 174.606 174.900 -0.013 0.000 1.039 342 G CA -0.372 44.656 45.100 -0.121 0.000 0.759 342 G HN 0.680 nan 8.290 nan 0.000 0.501 343 H N -1.700 117.394 119.070 0.039 0.000 2.622 343 H HA 0.606 5.162 4.556 -0.000 0.000 0.363 343 H C -0.193 175.139 175.328 0.007 0.000 1.151 343 H CA -1.313 54.756 56.048 0.036 0.000 1.184 343 H CB 2.443 32.224 29.762 0.032 0.000 1.643 343 H HN 0.132 nan 8.280 nan 0.000 0.531 344 V N 3.737 123.723 119.914 0.120 0.000 2.539 344 V HA 0.242 4.361 4.120 -0.001 0.000 0.292 344 V C 0.106 176.194 176.094 -0.009 0.000 1.045 344 V CA -0.431 61.867 62.300 -0.003 0.000 0.945 344 V CB 1.350 33.102 31.823 -0.118 0.000 0.993 344 V HN 0.546 nan 8.190 nan 0.000 0.464 345 I N 3.560 124.114 120.570 -0.027 0.000 2.418 345 I HA 0.442 4.611 4.170 -0.001 0.000 0.287 345 I C -0.960 175.123 176.117 -0.057 0.000 1.008 345 I CA -0.512 60.780 61.300 -0.013 0.000 1.104 345 I CB 1.829 39.840 38.000 0.018 0.000 1.264 345 I HN 0.532 nan 8.210 nan 0.000 0.438 346 D N 7.120 127.490 120.400 -0.050 0.000 2.269 346 D HA 0.614 5.254 4.640 -0.001 0.000 0.244 346 D C -0.402 175.797 176.300 -0.169 0.000 0.992 346 D CA -0.176 53.749 54.000 -0.125 0.000 0.894 346 D CB 2.871 43.659 40.800 -0.021 0.000 1.248 346 D HN 0.277 nan 8.370 nan 0.000 0.468 347 I N 1.905 122.272 120.570 -0.339 0.000 2.468 347 I HA 0.174 4.344 4.170 -0.001 0.000 0.284 347 I C -1.167 174.740 176.117 -0.349 0.000 1.038 347 I CA -0.769 60.392 61.300 -0.231 0.000 1.083 347 I CB 1.165 39.069 38.000 -0.161 0.000 1.223 347 I HN 0.174 nan 8.210 nan 0.000 0.443 348 Y N 5.190 125.503 120.300 0.021 0.000 2.593 348 Y HA 0.569 5.119 4.550 -0.001 0.000 0.331 348 Y C 0.549 176.556 175.900 0.179 0.000 0.986 348 Y CA -0.746 57.465 58.100 0.185 0.000 1.262 348 Y CB 1.327 40.007 38.460 0.366 0.000 1.098 348 Y HN 0.572 nan 8.280 nan 0.000 0.506 349 A N 2.464 125.344 122.820 0.100 0.000 2.260 349 A HA 0.600 4.920 4.320 -0.001 0.000 0.312 349 A C -0.756 176.692 177.584 -0.227 0.000 1.321 349 A CA -0.424 51.610 52.037 -0.005 0.000 0.928 349 A CB -0.178 18.791 19.000 -0.052 0.000 1.158 349 A HN 0.807 nan 8.150 nan 0.000 0.542 350 C N 3.212 122.247 119.300 -0.442 0.000 2.437 350 C HA 0.801 5.261 4.460 -0.001 0.000 0.307 350 C C 0.523 175.304 174.990 -0.348 0.000 1.093 350 C CA -0.103 58.504 59.018 -0.684 0.000 1.463 350 C CB -0.584 26.129 27.740 -1.712 0.000 1.926 350 C HN 1.078 nan 8.230 nan 0.000 0.420 351 A N 2.545 125.239 122.820 -0.209 0.000 2.587 351 A HA 0.759 5.078 4.320 -0.001 0.000 0.293 351 A C 0.207 177.728 177.584 -0.105 0.000 1.087 351 A CA -0.512 51.458 52.037 -0.112 0.000 0.692 351 A CB 0.738 19.701 19.000 -0.061 0.000 1.291 351 A HN 0.640 nan 8.150 nan 0.000 0.407 352 L N 0.069 121.250 121.223 -0.070 0.000 2.362 352 L HA 0.046 4.386 4.340 -0.001 0.000 0.219 352 L C 0.455 177.290 176.870 -0.058 0.000 1.134 352 L CA 1.108 55.912 54.840 -0.059 0.000 0.807 352 L CB -0.001 42.035 42.059 -0.038 0.000 0.927 352 L HN 0.670 nan 8.230 nan 0.000 0.447 353 D N -1.593 118.771 120.400 -0.060 0.000 2.531 353 D HA 0.176 4.816 4.640 -0.001 0.000 0.244 353 D C -0.604 175.649 176.300 -0.079 0.000 1.090 353 D CA -0.567 53.397 54.000 -0.061 0.000 0.989 353 D CB 1.434 42.209 40.800 -0.042 0.000 1.433 353 D HN -0.084 nan 8.370 nan 0.000 0.492 354 Q N -0.294 119.453 119.800 -0.088 0.000 2.342 354 Q HA 0.016 4.355 4.340 -0.001 0.000 0.330 354 Q C 0.833 176.777 176.000 -0.093 0.000 1.117 354 Q CA 0.847 56.584 55.803 -0.110 0.000 1.010 354 Q CB 0.473 29.137 28.738 -0.123 0.000 1.204 354 Q HN 0.508 nan 8.270 nan 0.000 0.400 355 T N -2.383 112.108 114.554 -0.104 0.000 2.985 355 T HA 0.346 4.696 4.350 -0.001 0.000 0.254 355 T C 1.000 175.642 174.700 -0.097 0.000 1.021 355 T CA 0.194 62.248 62.100 -0.077 0.000 0.957 355 T CB 0.537 69.367 68.868 -0.063 0.000 1.047 355 T HN 0.910 nan 8.240 nan 0.000 0.511 356 G N 1.243 109.962 108.800 -0.135 0.000 2.141 356 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.164 356 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.164 356 G C 0.631 175.395 174.900 -0.227 0.000 1.009 356 G CA 0.126 45.127 45.100 -0.164 0.000 0.677 356 G HN 0.455 nan 8.290 nan 0.000 0.508 357 L N -0.461 120.638 121.223 -0.205 0.000 2.042 357 L HA -0.124 4.216 4.340 -0.001 0.000 0.210 357 L C 2.897 179.647 176.870 -0.200 0.000 1.076 357 L CA 1.929 56.644 54.840 -0.209 0.000 0.749 357 L CB -0.491 41.469 42.059 -0.165 0.000 0.893 357 L HN 0.437 nan 8.230 nan 0.000 0.432 358 L N 0.288 121.396 121.223 -0.192 0.000 2.021 358 L HA -0.274 4.066 4.340 -0.001 0.000 0.215 358 L C 2.285 179.083 176.870 -0.120 0.000 1.074 358 L CA 1.993 56.734 54.840 -0.165 0.000 0.760 358 L CB -0.388 41.516 42.059 -0.258 0.000 0.889 358 L HN 0.180 nan 8.230 nan 0.000 0.433 359 E N -1.033 119.082 120.200 -0.142 0.000 2.112 359 E HA -0.099 4.251 4.350 -0.001 0.000 0.190 359 E C 2.086 178.580 176.600 -0.178 0.000 0.979 359 E CA 1.559 57.915 56.400 -0.073 0.000 0.814 359 E CB -0.240 29.462 29.700 0.003 0.000 0.762 359 E HN 0.537 nan 8.360 nan 0.000 0.460 360 M N 0.809 120.129 119.600 -0.466 0.000 2.506 360 M HA 0.013 4.492 4.480 -0.001 0.000 0.260 360 M C 1.889 178.047 176.300 -0.237 0.000 1.104 360 M CA 0.560 55.484 55.300 -0.627 0.000 1.112 360 M CB -0.212 31.888 32.600 -0.834 0.000 1.401 360 M HN 0.033 nan 8.290 nan 0.000 0.473 361 K N 1.285 121.593 120.400 -0.153 0.000 2.107 361 K HA -0.255 4.065 4.320 -0.001 0.000 0.211 361 K C 1.850 178.448 176.600 -0.003 0.000 1.049 361 K CA 2.298 58.544 56.287 -0.069 0.000 0.927 361 K CB -1.477 31.010 32.500 -0.021 0.000 0.714 361 K HN 0.552 nan 8.250 nan 0.000 0.452 362 C N 0.613 119.927 119.300 0.023 0.000 2.403 362 C HA -0.077 4.383 4.460 -0.001 0.000 0.282 362 C C 2.820 177.840 174.990 0.050 0.000 1.297 362 C CA 0.106 59.155 59.018 0.052 0.000 1.785 362 C CB -1.774 26.006 27.740 0.067 0.000 1.963 362 C HN 0.646 nan 8.230 nan 0.000 0.507 363 C N 2.125 121.450 119.300 0.042 0.000 2.442 363 C HA -0.027 4.433 4.460 -0.001 0.000 0.279 363 C C 0.840 175.842 174.990 0.020 0.000 1.237 363 C CA 2.031 61.073 59.018 0.040 0.000 1.722 363 C CB -1.755 26.017 27.740 0.054 0.000 2.056 363 C HN 0.548 nan 8.230 nan 0.000 0.469 364 P HA -0.038 nan 4.420 nan 0.000 0.225 364 P C 0.652 178.025 177.300 0.121 0.000 1.156 364 P CA 1.394 64.511 63.100 0.028 0.000 0.787 364 P CB -0.284 31.385 31.700 -0.051 0.000 0.802 365 N N 0.038 118.809 118.700 0.118 0.000 2.171 365 N HA -0.005 4.735 4.740 -0.001 0.000 0.184 365 N C 1.959 177.496 175.510 0.044 0.000 1.021 365 N CA 0.934 54.048 53.050 0.106 0.000 0.854 365 N CB -0.644 37.910 38.487 0.111 0.000 0.994 365 N HN 0.226 nan 8.380 nan 0.000 0.426 366 L N 0.391 121.640 121.223 0.044 0.000 2.127 366 L HA 0.022 4.362 4.340 -0.001 0.000 0.203 366 L C 1.017 177.897 176.870 0.017 0.000 1.080 366 L CA 0.658 55.519 54.840 0.036 0.000 0.768 366 L CB -0.627 41.458 42.059 0.043 0.000 0.924 366 L HN 0.195 nan 8.230 nan 0.000 0.444 367 T N -2.489 112.070 114.554 0.008 0.000 2.913 367 T HA 0.283 4.633 4.350 -0.001 0.000 0.287 367 T C 1.066 175.738 174.700 -0.046 0.000 1.008 367 T CA -0.194 61.898 62.100 -0.013 0.000 1.067 367 T CB 1.626 70.489 68.868 -0.007 0.000 0.996 367 T HN 0.225 nan 8.240 nan 0.000 0.513 368 G N 1.160 109.905 108.800 -0.091 0.000 3.135 368 G HA2 0.361 4.320 3.960 -0.001 0.000 0.208 368 G HA3 0.361 4.320 3.960 -0.001 0.000 0.208 368 G C 0.759 175.544 174.900 -0.192 0.000 1.212 368 G CA -0.276 44.740 45.100 -0.140 0.000 0.928 368 G HN 1.115 nan 8.290 nan 0.000 0.500 369 G N -0.789 107.922 108.800 -0.149 0.000 2.732 369 G HA2 0.311 4.271 3.960 -0.001 0.000 0.244 369 G HA3 0.311 4.271 3.960 -0.001 0.000 0.244 369 G C -0.514 174.366 174.900 -0.033 0.000 1.226 369 G CA -0.575 44.406 45.100 -0.198 0.000 0.860 369 G HN 0.332 nan 8.290 nan 0.000 0.583 370 Y N -0.822 119.456 120.300 -0.037 0.000 2.320 370 Y HA 0.454 5.003 4.550 -0.001 0.000 0.324 370 Y C 0.707 176.463 175.900 -0.240 0.000 1.190 370 Y CA -0.835 57.263 58.100 -0.004 0.000 1.215 370 Y CB 1.794 40.277 38.460 0.039 0.000 1.221 370 Y HN 0.297 nan 8.280 nan 0.000 0.486 371 M N 3.747 123.270 119.600 -0.128 0.000 2.142 371 M HA 0.512 4.991 4.480 -0.001 0.000 0.299 371 M C -2.210 174.114 176.300 0.039 0.000 0.960 371 M CA -0.677 54.419 55.300 -0.340 0.000 0.920 371 M CB 1.005 33.067 32.600 -0.898 0.000 1.541 371 M HN 0.391 nan 8.290 nan 0.000 0.429 372 V N 6.284 126.209 119.914 0.017 0.000 2.407 372 V HA 0.468 4.588 4.120 -0.001 0.000 0.291 372 V C -0.186 175.959 176.094 0.085 0.000 1.018 372 V CA -0.501 61.914 62.300 0.191 0.000 0.842 372 V CB 1.848 33.845 31.823 0.289 0.000 0.996 372 V HN 0.955 nan 8.190 nan 0.000 0.426 373 M N 3.104 122.651 119.600 -0.089 0.000 2.444 373 M HA 0.808 5.288 4.480 -0.001 0.000 0.319 373 M C 0.502 176.669 176.300 -0.222 0.000 1.183 373 M CA -0.108 55.009 55.300 -0.304 0.000 1.032 373 M CB 2.040 34.209 32.600 -0.718 0.000 1.569 373 M HN 0.820 nan 8.290 nan 0.000 0.468 374 G N 0.427 109.080 108.800 -0.244 0.000 2.523 374 G HA2 0.244 4.204 3.960 -0.001 0.000 0.291 374 G HA3 0.244 4.204 3.960 -0.001 0.000 0.291 374 G C -0.865 173.899 174.900 -0.228 0.000 1.450 374 G CA -0.558 44.418 45.100 -0.208 0.000 0.790 374 G HN 0.631 nan 8.290 nan 0.000 0.496 375 D N -0.732 119.564 120.400 -0.174 0.000 2.216 375 D HA 0.155 4.795 4.640 -0.001 0.000 0.208 375 D C 1.340 177.536 176.300 -0.172 0.000 0.960 375 D CA 1.736 55.650 54.000 -0.143 0.000 0.861 375 D CB 0.676 41.425 40.800 -0.086 0.000 0.985 375 D HN 0.662 nan 8.370 nan 0.000 0.493 376 S N -1.315 114.258 115.700 -0.211 0.000 2.552 376 S HA 0.244 4.713 4.470 -0.001 0.000 0.272 376 S C -0.187 174.235 174.600 -0.296 0.000 1.150 376 S CA -0.724 57.343 58.200 -0.221 0.000 0.849 376 S CB 0.094 63.253 63.200 -0.068 0.000 1.113 376 S HN -0.117 nan 8.310 nan 0.000 0.458 377 F N 1.492 121.293 119.950 -0.248 0.000 2.451 377 F HA 0.198 4.724 4.527 -0.001 0.000 0.299 377 F C 1.800 177.588 175.800 -0.019 0.000 1.101 377 F CA 0.642 58.409 58.000 -0.388 0.000 1.436 377 F CB -0.103 38.577 39.000 -0.535 0.000 1.074 377 F HN 0.607 nan 8.300 nan 0.000 0.553 378 N N 0.796 119.571 118.700 0.125 0.000 3.250 378 N HA 0.064 4.804 4.740 -0.001 0.000 0.307 378 N C -0.646 174.919 175.510 0.091 0.000 1.355 378 N CA 0.021 53.139 53.050 0.112 0.000 1.192 378 N CB -0.336 38.190 38.487 0.065 0.000 1.478 378 N HN 0.138 nan 8.380 nan 0.000 0.543 379 T N -3.661 110.975 114.554 0.137 0.000 2.923 379 T HA 0.230 4.580 4.350 -0.001 0.000 0.311 379 T C 0.781 175.564 174.700 0.138 0.000 1.183 379 T CA -0.740 61.422 62.100 0.103 0.000 1.020 379 T CB 1.196 70.104 68.868 0.067 0.000 1.165 379 T HN -0.091 nan 8.240 nan 0.000 0.482 380 S N 0.880 116.630 115.700 0.084 0.000 2.399 380 S HA -0.096 4.374 4.470 -0.001 0.000 0.231 380 S C 1.832 176.475 174.600 0.070 0.000 1.022 380 S CA 1.318 59.560 58.200 0.072 0.000 0.983 380 S CB -0.814 62.405 63.200 0.032 0.000 0.803 380 S HN 0.655 nan 8.310 nan 0.000 0.480 381 L N 0.696 121.959 121.223 0.066 0.000 1.990 381 L HA -0.072 4.268 4.340 -0.001 0.000 0.213 381 L C 1.937 178.867 176.870 0.100 0.000 1.072 381 L CA 2.302 57.174 54.840 0.054 0.000 0.755 381 L CB -0.931 41.152 42.059 0.041 0.000 0.889 381 L HN 0.490 nan 8.230 nan 0.000 0.432 382 F N 0.234 120.205 119.950 0.034 0.000 2.009 382 F HA -0.158 4.369 4.527 -0.000 0.000 0.293 382 F C 2.400 178.315 175.800 0.192 0.000 1.156 382 F CA 1.853 59.911 58.000 0.096 0.000 1.168 382 F CB -0.618 38.416 39.000 0.057 0.000 0.981 382 F HN -0.034 nan 8.300 nan 0.000 0.475 383 K N -0.119 120.312 120.400 0.052 0.000 2.097 383 K HA -0.311 4.009 4.320 -0.001 0.000 0.214 383 K C 2.066 178.661 176.600 -0.008 0.000 1.052 383 K CA 2.122 58.412 56.287 0.005 0.000 0.932 383 K CB -0.603 31.985 32.500 0.148 0.000 0.716 383 K HN 0.454 nan 8.250 nan 0.000 0.455 384 Q N 0.140 119.954 119.800 0.023 0.000 2.030 384 Q HA -0.121 4.219 4.340 -0.001 0.000 0.204 384 Q C 2.333 178.359 176.000 0.043 0.000 0.986 384 Q CA 1.853 57.683 55.803 0.046 0.000 0.843 384 Q CB -0.695 28.069 28.738 0.044 0.000 0.904 384 Q HN 0.389 nan 8.270 nan 0.000 0.420 385 T N 1.403 115.952 114.554 -0.008 0.000 2.665 385 T HA -0.173 4.176 4.350 -0.001 0.000 0.268 385 T C 1.515 176.309 174.700 0.157 0.000 1.035 385 T CA 1.431 63.534 62.100 0.004 0.000 1.151 385 T CB -0.493 68.331 68.868 -0.073 0.000 0.862 385 T HN 0.226 nan 8.240 nan 0.000 0.438 386 F N 2.554 122.409 119.950 -0.158 0.000 2.171 386 F HA -0.144 4.383 4.527 -0.000 0.000 0.300 386 F C 2.523 178.455 175.800 0.220 0.000 1.090 386 F CA 1.501 59.483 58.000 -0.029 0.000 1.293 386 F CB -0.473 38.279 39.000 -0.412 0.000 1.013 386 F HN 0.301 nan 8.300 nan 0.000 0.486 387 Q N -0.470 119.380 119.800 0.083 0.000 2.378 387 Q HA -0.045 4.295 4.340 -0.001 0.000 0.205 387 Q C 1.873 177.939 176.000 0.111 0.000 0.954 387 Q CA 0.685 56.525 55.803 0.060 0.000 0.901 387 Q CB -0.500 28.274 28.738 0.060 0.000 0.981 387 Q HN 0.383 nan 8.270 nan 0.000 0.483 388 R N 0.471 121.053 120.500 0.137 0.000 2.235 388 R HA 0.029 4.369 4.340 -0.001 0.000 0.213 388 R C 1.973 178.266 176.300 -0.011 0.000 1.059 388 R CA 0.741 56.921 56.100 0.134 0.000 0.997 388 R CB -0.032 30.439 30.300 0.286 0.000 0.884 388 R HN 0.109 nan 8.270 nan 0.000 0.462 389 V N 0.471 120.363 119.914 -0.038 0.000 2.594 389 V HA -0.176 3.944 4.120 -0.001 0.000 0.253 389 V C 0.850 176.535 176.094 -0.682 0.000 1.069 389 V CA 1.538 63.616 62.300 -0.370 0.000 1.082 389 V CB -0.253 31.368 31.823 -0.337 0.000 0.680 389 V HN 0.160 nan 8.190 nan 0.000 0.469 390 F N -0.248 119.512 119.950 -0.316 0.000 2.925 390 F HA 0.282 4.809 4.527 -0.000 0.000 0.302 390 F C 1.051 176.779 175.800 -0.120 0.000 1.189 390 F CA -0.454 57.278 58.000 -0.447 0.000 1.346 390 F CB -0.723 37.999 39.000 -0.463 0.000 0.954 390 F HN -0.129 nan 8.300 nan 0.000 0.506 391 T N 1.648 116.207 114.554 0.007 0.000 2.902 391 T HA 0.081 4.430 4.350 -0.001 0.000 0.301 391 T C 0.529 175.342 174.700 0.188 0.000 1.012 391 T CA 0.074 62.222 62.100 0.081 0.000 1.151 391 T CB 0.529 69.398 68.868 0.002 0.000 0.946 391 T HN 0.190 nan 8.240 nan 0.000 0.542 392 K N 2.347 122.864 120.400 0.196 0.000 2.095 392 K HA 0.329 4.648 4.320 -0.001 0.000 0.252 392 K C 0.107 176.766 176.600 0.099 0.000 0.977 392 K CA -0.955 55.452 56.287 0.200 0.000 0.900 392 K CB 0.847 33.443 32.500 0.160 0.000 1.060 392 K HN 0.694 nan 8.250 nan 0.000 0.449 393 D N 0.450 120.900 120.400 0.084 0.000 2.529 393 D HA 0.070 4.709 4.640 -0.001 0.000 0.273 393 D C 0.852 177.105 176.300 -0.078 0.000 1.197 393 D CA -0.523 53.484 54.000 0.012 0.000 1.070 393 D CB 0.313 41.143 40.800 0.050 0.000 1.134 393 D HN 0.230 nan 8.370 nan 0.000 0.590 394 M N -0.343 119.122 119.600 -0.225 0.000 2.419 394 M HA -0.122 4.358 4.480 -0.001 0.000 0.260 394 M C 0.810 176.843 176.300 -0.445 0.000 1.073 394 M CA 1.391 56.468 55.300 -0.371 0.000 1.056 394 M CB -0.838 31.461 32.600 -0.502 0.000 1.394 394 M HN 0.380 nan 8.290 nan 0.000 0.444 395 H N -1.437 117.656 119.070 0.039 0.000 2.486 395 H HA 0.508 5.064 4.556 -0.001 0.000 0.284 395 H C 1.301 176.644 175.328 0.026 0.000 1.103 395 H CA 0.263 56.327 56.048 0.027 0.000 1.089 395 H CB -0.324 29.453 29.762 0.025 0.000 1.603 395 H HN 0.417 nan 8.280 nan 0.000 0.557 396 G N 1.796 110.636 108.800 0.067 0.000 2.249 396 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.273 396 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.273 396 G C -0.073 174.843 174.900 0.027 0.000 1.036 396 G CA 0.117 45.245 45.100 0.046 0.000 0.824 396 G HN 0.461 nan 8.290 nan 0.000 0.504 397 Q N -1.124 118.728 119.800 0.087 0.000 2.342 397 Q HA 0.629 4.968 4.340 -0.001 0.000 0.267 397 Q C 0.301 176.399 176.000 0.162 0.000 1.038 397 Q CA -1.020 54.829 55.803 0.076 0.000 0.832 397 Q CB 1.593 30.480 28.738 0.248 0.000 1.323 397 Q HN 0.304 nan 8.270 nan 0.000 0.448 398 F N 1.338 121.371 119.950 0.138 0.000 2.595 398 F HA -0.048 4.478 4.527 -0.001 0.000 0.359 398 F C 1.242 177.058 175.800 0.026 0.000 1.147 398 F CA 0.086 58.149 58.000 0.106 0.000 1.341 398 F CB 0.511 39.620 39.000 0.183 0.000 1.104 398 F HN 0.329 nan 8.300 nan 0.000 0.603 399 K N 4.030 124.546 120.400 0.193 0.000 3.100 399 K HA 0.201 4.521 4.320 -0.001 0.000 0.256 399 K C -0.411 176.164 176.600 -0.041 0.000 1.146 399 K CA 0.130 56.440 56.287 0.038 0.000 1.233 399 K CB -0.062 32.432 32.500 -0.010 0.000 1.226 399 K HN 0.527 nan 8.250 nan 0.000 0.442 400 M N -0.055 119.552 119.600 0.013 0.000 2.578 400 M HA 0.404 4.884 4.480 -0.001 0.000 0.321 400 M C 0.313 176.562 176.300 -0.084 0.000 1.182 400 M CA -0.794 54.429 55.300 -0.128 0.000 0.965 400 M CB 2.117 34.664 32.600 -0.089 0.000 1.694 400 M HN 0.137 nan 8.290 nan 0.000 0.461 401 G N 1.438 110.063 108.800 -0.291 0.000 2.638 401 G HA2 0.801 4.761 3.960 -0.001 0.000 0.302 401 G HA3 0.801 4.761 3.960 -0.001 0.000 0.302 401 G C -1.838 172.937 174.900 -0.209 0.000 1.365 401 G CA -0.348 44.785 45.100 0.056 0.000 0.987 401 G HN 0.484 nan 8.290 nan 0.000 0.495 402 F N -0.016 120.028 119.950 0.156 0.000 2.561 402 F HA 0.622 5.148 4.527 -0.001 0.000 0.321 402 F C 1.019 176.884 175.800 0.109 0.000 1.065 402 F CA -0.450 57.594 58.000 0.073 0.000 0.934 402 F CB 2.173 41.193 39.000 0.032 0.000 1.215 402 F HN 0.913 nan 8.300 nan 0.000 0.471 403 G N 1.461 110.402 108.800 0.235 0.000 2.424 403 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.294 403 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.294 403 G C 0.438 175.440 174.900 0.170 0.000 0.939 403 G CA 0.177 45.377 45.100 0.167 0.000 1.143 403 G HN 1.160 nan 8.290 nan 0.000 0.507 404 G N -0.638 108.254 108.800 0.154 0.000 2.503 404 G HA2 0.568 4.528 3.960 -0.001 0.000 0.257 404 G HA3 0.568 4.528 3.960 -0.001 0.000 0.257 404 G C -0.025 174.962 174.900 0.145 0.000 1.214 404 G CA 0.333 45.541 45.100 0.180 0.000 0.839 404 G HN 0.557 nan 8.290 nan 0.000 0.559 405 T N 1.588 116.241 114.554 0.165 0.000 2.840 405 T HA 0.372 4.721 4.350 -0.001 0.000 0.287 405 T C -0.808 174.004 174.700 0.187 0.000 0.991 405 T CA -0.333 61.858 62.100 0.152 0.000 0.964 405 T CB 1.407 70.343 68.868 0.115 0.000 0.954 405 T HN 0.408 nan 8.240 nan 0.000 0.438 406 L N 3.399 124.765 121.223 0.239 0.000 2.296 406 L HA 0.666 5.006 4.340 -0.001 0.000 0.286 406 L C -0.253 176.828 176.870 0.353 0.000 1.023 406 L CA -0.240 54.786 54.840 0.309 0.000 0.812 406 L CB 1.153 43.418 42.059 0.345 0.000 1.223 406 L HN 0.632 nan 8.230 nan 0.000 0.421 407 E N 4.846 125.202 120.200 0.259 0.000 2.238 407 E HA 0.564 4.914 4.350 -0.001 0.000 0.267 407 E C -1.517 175.174 176.600 0.151 0.000 0.887 407 E CA -0.677 55.830 56.400 0.178 0.000 0.769 407 E CB 1.776 31.512 29.700 0.060 0.000 1.187 407 E HN 0.675 nan 8.360 nan 0.000 0.416 408 I N 3.681 124.328 120.570 0.129 0.000 2.468 408 I HA 0.289 4.459 4.170 -0.001 0.000 0.284 408 I C -0.841 175.222 176.117 -0.089 0.000 1.038 408 I CA -0.783 60.498 61.300 -0.031 0.000 1.083 408 I CB 1.706 39.733 38.000 0.046 0.000 1.223 408 I HN 0.260 nan 8.210 nan 0.000 0.443 409 K N 3.819 124.082 120.400 -0.229 0.000 2.110 409 K HA 0.661 4.980 4.320 -0.001 0.000 0.263 409 K C -0.024 176.499 176.600 -0.129 0.000 0.975 409 K CA -0.439 55.685 56.287 -0.272 0.000 0.895 409 K CB 1.716 33.823 32.500 -0.655 0.000 1.060 409 K HN 0.665 nan 8.250 nan 0.000 0.448 410 T N -2.289 112.297 114.554 0.052 0.000 2.901 410 T HA 0.478 4.828 4.350 -0.001 0.000 0.293 410 T C -0.036 174.870 174.700 0.343 0.000 1.084 410 T CA -0.995 61.229 62.100 0.206 0.000 1.008 410 T CB 1.436 70.396 68.868 0.154 0.000 1.170 410 T HN 0.268 nan 8.240 nan 0.000 0.509 411 S N 0.207 116.096 115.700 0.316 0.000 2.589 411 S HA 0.174 4.644 4.470 -0.001 0.000 0.265 411 S C 1.861 176.607 174.600 0.244 0.000 1.342 411 S CA -0.737 57.628 58.200 0.274 0.000 1.005 411 S CB 0.500 63.859 63.200 0.266 0.000 0.909 411 S HN 0.862 nan 8.310 nan 0.000 0.555 412 R N 0.958 121.583 120.500 0.210 0.000 2.193 412 R HA -0.087 4.252 4.340 -0.001 0.000 0.229 412 R C 0.567 176.964 176.300 0.162 0.000 1.110 412 R CA 1.368 57.571 56.100 0.173 0.000 0.988 412 R CB -0.374 30.024 30.300 0.164 0.000 0.871 412 R HN 0.458 nan 8.270 nan 0.000 0.458 413 E N 0.774 121.095 120.200 0.203 0.000 2.502 413 E HA 0.217 4.567 4.350 -0.001 0.000 0.194 413 E C 0.090 176.843 176.600 0.254 0.000 1.062 413 E CA 0.379 56.877 56.400 0.164 0.000 0.867 413 E CB 0.257 29.989 29.700 0.053 0.000 0.888 413 E HN 0.382 nan 8.360 nan 0.000 0.510 414 I N 0.241 120.959 120.570 0.247 0.000 2.785 414 I HA 0.384 4.553 4.170 -0.001 0.000 0.302 414 I C -0.142 176.079 176.117 0.172 0.000 1.069 414 I CA -1.007 60.409 61.300 0.194 0.000 1.045 414 I CB 2.146 40.211 38.000 0.107 0.000 1.236 414 I HN -0.247 nan 8.210 nan 0.000 0.429 415 K N 4.509 125.018 120.400 0.182 0.000 2.477 415 K HA 0.623 4.943 4.320 -0.001 0.000 0.255 415 K C -1.282 175.443 176.600 0.207 0.000 0.952 415 K CA -0.816 55.572 56.287 0.169 0.000 0.826 415 K CB 3.014 35.586 32.500 0.120 0.000 1.331 415 K HN 0.436 nan 8.250 nan 0.000 0.437 416 I N 1.996 122.661 120.570 0.159 0.000 2.312 416 I HA 0.033 4.203 4.170 -0.001 0.000 0.291 416 I C 0.992 177.147 176.117 0.064 0.000 1.031 416 I CA 0.089 61.448 61.300 0.098 0.000 1.293 416 I CB 1.478 39.566 38.000 0.145 0.000 1.403 416 I HN 0.648 nan 8.210 nan 0.000 0.484 417 S N 4.038 119.751 115.700 0.022 0.000 2.362 417 S HA 0.230 4.699 4.470 -0.001 0.000 0.221 417 S C 0.798 175.428 174.600 0.050 0.000 1.032 417 S CA 0.732 58.958 58.200 0.042 0.000 0.973 417 S CB 0.187 63.421 63.200 0.057 0.000 0.849 417 S HN 0.950 nan 8.310 nan 0.000 0.465 418 G N -0.382 108.458 108.800 0.066 0.000 2.324 418 G HA2 0.537 4.497 3.960 -0.001 0.000 0.293 418 G HA3 0.537 4.497 3.960 -0.001 0.000 0.293 418 G C -2.046 172.892 174.900 0.063 0.000 1.297 418 G CA -0.278 44.903 45.100 0.135 0.000 0.853 418 G HN 0.534 nan 8.290 nan 0.000 0.535 419 A N -0.798 122.024 122.820 0.003 0.000 2.454 419 A HA 0.901 5.221 4.320 -0.001 0.000 0.302 419 A C -1.024 176.434 177.584 -0.211 0.000 1.079 419 A CA -0.635 51.252 52.037 -0.250 0.000 0.731 419 A CB 1.419 19.907 19.000 -0.854 0.000 1.299 419 A HN 1.036 nan 8.150 nan 0.000 0.413 420 I N 1.126 121.590 120.570 -0.176 0.000 2.478 420 I HA 0.662 4.831 4.170 -0.001 0.000 0.287 420 I C 0.404 176.429 176.117 -0.154 0.000 1.042 420 I CA 0.046 61.237 61.300 -0.183 0.000 1.067 420 I CB 2.092 40.013 38.000 -0.132 0.000 1.233 420 I HN 1.164 nan 8.210 nan 0.000 0.431 421 G N 6.882 115.605 108.800 -0.128 0.000 2.362 421 G HA2 0.102 4.062 3.960 -0.001 0.000 0.288 421 G HA3 0.102 4.062 3.960 -0.001 0.000 0.288 421 G C -3.209 171.623 174.900 -0.112 0.000 1.305 421 G CA -0.825 44.192 45.100 -0.137 0.000 0.910 421 G HN 0.314 nan 8.290 nan 0.000 0.518 422 P HA 0.410 nan 4.420 nan 0.000 0.263 422 P C 0.277 177.536 177.300 -0.069 0.000 1.247 422 P CA 0.811 63.850 63.100 -0.101 0.000 0.876 422 P CB -0.442 31.174 31.700 -0.141 0.000 0.928 423 C N 1.333 120.625 119.300 -0.014 0.000 3.211 423 C HA 0.691 5.150 4.460 -0.001 0.000 0.350 423 C C -1.428 173.625 174.990 0.105 0.000 1.413 423 C CA -0.683 58.364 59.018 0.047 0.000 1.203 423 C CB 1.124 28.887 27.740 0.039 0.000 1.506 423 C HN 0.303 nan 8.230 nan 0.000 0.448 424 V N 1.357 121.369 119.914 0.163 0.000 2.888 424 V HA 0.688 4.808 4.120 -0.001 0.000 0.309 424 V C 0.177 176.376 176.094 0.174 0.000 1.114 424 V CA 0.007 62.391 62.300 0.140 0.000 0.940 424 V CB 1.873 33.740 31.823 0.074 0.000 1.021 424 V HN 1.245 nan 8.190 nan 0.000 0.426 425 S N 3.229 118.994 115.700 0.108 0.000 2.565 425 S HA 0.418 4.888 4.470 -0.001 0.000 0.276 425 S C 0.501 175.036 174.600 -0.109 0.000 1.326 425 S CA -0.332 57.832 58.200 -0.060 0.000 1.045 425 S CB 0.416 63.569 63.200 -0.078 0.000 0.918 425 S HN 0.616 nan 8.310 nan 0.000 0.505 426 L N 3.892 124.987 121.223 -0.212 0.000 2.700 426 L HA 0.269 4.609 4.340 -0.001 0.000 0.234 426 L C 0.914 177.684 176.870 -0.166 0.000 1.156 426 L CA -0.105 54.647 54.840 -0.148 0.000 0.946 426 L CB -0.802 41.176 42.059 -0.136 0.000 1.216 426 L HN 0.861 nan 8.230 nan 0.000 0.493 427 N N 0.816 119.396 118.700 -0.201 0.000 2.701 427 N HA -0.209 4.531 4.740 -0.001 0.000 0.252 427 N C -0.450 174.963 175.510 -0.162 0.000 1.002 427 N CA 0.534 53.483 53.050 -0.169 0.000 0.758 427 N CB -0.663 37.763 38.487 -0.102 0.000 0.937 427 N HN 0.181 nan 8.380 nan 0.000 0.538 428 S N 0.917 116.488 115.700 -0.215 0.000 2.400 428 S HA 0.192 4.662 4.470 -0.001 0.000 0.295 428 S C 0.423 174.925 174.600 -0.164 0.000 1.113 428 S CA -0.726 57.371 58.200 -0.172 0.000 1.064 428 S CB 0.916 64.006 63.200 -0.184 0.000 0.990 428 S HN 0.136 nan 8.310 nan 0.000 0.502 429 K N 1.897 122.229 120.400 -0.112 0.000 2.120 429 K HA 0.740 5.060 4.320 -0.001 0.000 0.245 429 K C 0.775 177.330 176.600 -0.074 0.000 1.024 429 K CA -0.312 55.922 56.287 -0.089 0.000 0.906 429 K CB 0.667 33.130 32.500 -0.062 0.000 1.051 429 K HN 0.786 nan 8.250 nan 0.000 0.491 430 G N -0.165 108.604 108.800 -0.053 0.000 2.315 430 G HA2 0.148 4.108 3.960 -0.001 0.000 0.294 430 G HA3 0.148 4.108 3.960 -0.001 0.000 0.294 430 G C -2.338 172.552 174.900 -0.016 0.000 1.300 430 G CA -0.667 44.410 45.100 -0.038 0.000 0.843 430 G HN 0.308 nan 8.290 nan 0.000 0.527 431 P HA 0.073 nan 4.420 nan 0.000 0.222 431 P C 1.706 179.027 177.300 0.034 0.000 1.153 431 P CA 1.204 64.316 63.100 0.020 0.000 0.798 431 P CB 0.071 31.788 31.700 0.029 0.000 0.796 432 C N -0.176 119.140 119.300 0.026 0.000 2.448 432 C HA 0.066 4.525 4.460 -0.001 0.000 0.280 432 C C 1.530 176.551 174.990 0.052 0.000 1.398 432 C CA -0.125 58.923 59.018 0.050 0.000 1.774 432 C CB -1.006 26.754 27.740 0.035 0.000 1.888 432 C HN 0.038 nan 8.230 nan 0.000 0.519 433 V N 1.658 121.581 119.914 0.016 0.000 2.811 433 V HA 0.275 4.394 4.120 -0.001 0.000 0.302 433 V C 0.404 176.516 176.094 0.031 0.000 1.063 433 V CA 0.382 62.688 62.300 0.011 0.000 1.088 433 V CB 1.359 33.162 31.823 -0.033 0.000 0.982 433 V HN 0.449 nan 8.190 nan 0.000 0.485 434 S N 2.083 117.806 115.700 0.040 0.000 2.608 434 S HA 0.319 4.789 4.470 -0.001 0.000 0.291 434 S C 0.807 175.424 174.600 0.029 0.000 1.146 434 S CA -0.588 57.639 58.200 0.045 0.000 1.043 434 S CB 1.596 64.833 63.200 0.062 0.000 1.037 434 S HN 0.761 nan 8.310 nan 0.000 0.520 435 E N 2.157 122.374 120.200 0.030 0.000 2.028 435 E HA -0.002 4.348 4.350 -0.001 0.000 0.191 435 E C 0.023 176.636 176.600 0.021 0.000 0.988 435 E CA 0.914 57.327 56.400 0.021 0.000 0.799 435 E CB -0.270 29.444 29.700 0.023 0.000 0.755 435 E HN 0.645 nan 8.360 nan 0.000 0.447 436 N N 3.181 121.898 118.700 0.029 0.000 2.400 436 N HA -0.004 4.736 4.740 -0.001 0.000 0.267 436 N C -0.219 175.304 175.510 0.021 0.000 1.208 436 N CA 0.319 53.384 53.050 0.025 0.000 0.951 436 N CB 0.433 38.941 38.487 0.035 0.000 1.227 436 N HN 0.238 nan 8.380 nan 0.000 0.488 437 E N 2.093 122.299 120.200 0.010 0.000 2.214 437 E HA 0.583 4.932 4.350 -0.001 0.000 0.274 437 E C -0.252 176.333 176.600 -0.026 0.000 0.977 437 E CA -0.687 55.715 56.400 0.004 0.000 0.827 437 E CB 1.794 31.501 29.700 0.011 0.000 1.130 437 E HN 0.333 nan 8.360 nan 0.000 0.394 438 I N 1.369 121.905 120.570 -0.056 0.000 2.569 438 I HA 0.390 4.560 4.170 -0.001 0.000 0.296 438 I C 0.966 176.953 176.117 -0.216 0.000 1.028 438 I CA -0.503 60.699 61.300 -0.163 0.000 1.082 438 I CB 1.684 39.524 38.000 -0.266 0.000 1.264 438 I HN 0.974 nan 8.210 nan 0.000 0.429 439 G N 4.349 112.922 108.800 -0.379 0.000 2.634 439 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.309 439 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.309 439 G C 0.187 174.942 174.900 -0.241 0.000 1.265 439 G CA 0.171 44.834 45.100 -0.728 0.000 0.998 439 G HN 0.569 nan 8.290 nan 0.000 0.551 440 T N 2.307 116.778 114.554 -0.139 0.000 2.987 440 T HA 0.558 4.908 4.350 -0.001 0.000 0.288 440 T C 0.861 175.698 174.700 0.227 0.000 0.981 440 T CA 0.766 62.931 62.100 0.108 0.000 1.031 440 T CB 0.385 69.379 68.868 0.210 0.000 0.976 440 T HN 1.119 nan 8.240 nan 0.000 0.612 441 G N 0.714 109.584 108.800 0.117 0.000 3.119 441 G HA2 0.591 4.551 3.960 -0.001 0.000 0.206 441 G HA3 0.591 4.551 3.960 -0.001 0.000 0.206 441 G C 0.779 175.684 174.900 0.008 0.000 1.313 441 G CA -0.289 44.872 45.100 0.101 0.000 1.010 441 G HN 0.918 nan 8.290 nan 0.000 0.578 442 G N -1.757 107.033 108.800 -0.016 0.000 2.249 442 G HA2 0.142 4.101 3.960 -0.001 0.000 0.273 442 G HA3 0.142 4.101 3.960 -0.001 0.000 0.273 442 G C 0.272 175.088 174.900 -0.141 0.000 1.036 442 G CA 1.502 46.567 45.100 -0.058 0.000 0.824 442 G HN 1.657 nan 8.290 nan 0.000 0.504 443 T N -2.560 111.861 114.554 -0.221 0.000 2.786 443 T HA 0.450 4.800 4.350 -0.001 0.000 0.316 443 T C 0.825 175.175 174.700 -0.584 0.000 1.503 443 T CA 0.523 62.360 62.100 -0.437 0.000 1.019 443 T CB 0.671 69.137 68.868 -0.669 0.000 1.415 443 T HN 1.325 nan 8.240 nan 0.000 0.496 444 C N 1.468 120.409 119.300 -0.599 0.000 3.385 444 C HA 0.631 5.091 4.460 -0.001 0.000 0.288 444 C C 0.118 174.774 174.990 -0.557 0.000 1.429 444 C CA -0.427 58.317 59.018 -0.456 0.000 1.778 444 C CB -1.388 26.248 27.740 -0.173 0.000 2.503 444 C HN 0.722 nan 8.230 nan 0.000 0.646 445 Q N 0.362 119.623 119.800 -0.898 0.000 2.271 445 Q HA 0.475 4.815 4.340 -0.001 0.000 0.268 445 Q C -1.602 174.043 176.000 -0.591 0.000 1.021 445 Q CA -0.147 55.368 55.803 -0.480 0.000 0.802 445 Q CB 1.979 30.576 28.738 -0.234 0.000 1.282 445 Q HN 0.659 nan 8.270 nan 0.000 0.431 446 W N 1.808 123.115 121.300 0.012 0.000 2.844 446 W HA 0.483 5.143 4.660 -0.001 0.000 0.340 446 W C -0.338 176.190 176.519 0.016 0.000 1.093 446 W CA -0.761 56.589 57.345 0.009 0.000 1.212 446 W CB 2.107 31.572 29.460 0.008 0.000 1.422 446 W HN 0.411 nan 8.180 nan 0.000 0.515 447 K N 2.459 122.990 120.400 0.218 0.000 2.265 447 K HA 0.508 4.827 4.320 -0.001 0.000 0.267 447 K C -0.708 175.957 176.600 0.108 0.000 0.994 447 K CA -0.328 56.039 56.287 0.132 0.000 0.860 447 K CB 0.629 33.172 32.500 0.073 0.000 1.099 447 K HN 0.447 nan 8.250 nan 0.000 0.448 448 I N 5.762 126.379 120.570 0.079 0.000 2.503 448 I HA 0.108 4.278 4.170 -0.001 0.000 0.277 448 I C 0.851 176.965 176.117 -0.005 0.000 1.078 448 I CA -0.888 60.422 61.300 0.017 0.000 1.184 448 I CB 0.693 38.682 38.000 -0.018 0.000 1.353 448 I HN 0.765 nan 8.210 nan 0.000 0.490 449 C N 3.192 122.490 119.300 -0.002 0.000 2.396 449 C HA -0.091 4.368 4.460 -0.001 0.000 0.277 449 C C 1.481 176.430 174.990 -0.068 0.000 1.231 449 C CA 0.896 59.918 59.018 0.006 0.000 1.775 449 C CB -0.953 26.797 27.740 0.017 0.000 2.036 449 C HN 0.857 nan 8.230 nan 0.000 0.484 450 G N 0.284 108.984 108.800 -0.166 0.000 2.609 450 G HA2 0.648 4.607 3.960 -0.001 0.000 0.308 450 G HA3 0.648 4.607 3.960 -0.001 0.000 0.308 450 G C -1.302 173.406 174.900 -0.320 0.000 1.369 450 G CA -0.164 44.730 45.100 -0.343 0.000 0.958 450 G HN 0.281 nan 8.290 nan 0.000 0.499 451 L N 0.234 121.232 121.223 -0.375 0.000 2.518 451 L HA 0.927 5.266 4.340 -0.001 0.000 0.257 451 L C 0.017 176.690 176.870 -0.328 0.000 0.980 451 L CA -1.647 53.006 54.840 -0.312 0.000 0.837 451 L CB 1.171 43.064 42.059 -0.277 0.000 1.410 451 L HN 0.683 nan 8.230 nan 0.000 0.410 452 S N -0.788 114.750 115.700 -0.269 0.000 2.810 452 S HA 0.859 5.328 4.470 -0.001 0.000 0.315 452 S C -2.388 172.070 174.600 -0.236 0.000 1.138 452 S CA -1.364 56.696 58.200 -0.234 0.000 0.889 452 S CB 1.819 64.912 63.200 -0.179 0.000 1.236 452 S HN 0.563 nan 8.310 nan 0.000 0.548 453 P HA 0.174 nan 4.420 nan 0.000 0.237 453 P C 0.740 177.920 177.300 -0.199 0.000 1.178 453 P CA 0.801 63.789 63.100 -0.186 0.000 0.766 453 P CB -0.066 31.558 31.700 -0.128 0.000 0.876 454 T N -2.465 111.975 114.554 -0.191 0.000 3.040 454 T HA 0.031 4.380 4.350 -0.001 0.000 0.252 454 T C 0.640 175.205 174.700 -0.226 0.000 1.064 454 T CA 0.432 62.420 62.100 -0.187 0.000 1.110 454 T CB -0.636 68.150 68.868 -0.136 0.000 0.921 454 T HN 0.061 nan 8.240 nan 0.000 0.480 455 T N 3.630 118.044 114.554 -0.232 0.000 2.800 455 T HA 0.136 4.485 4.350 -0.001 0.000 0.283 455 T C -0.037 174.472 174.700 -0.318 0.000 0.999 455 T CA 0.581 62.530 62.100 -0.252 0.000 1.176 455 T CB 0.054 68.773 68.868 -0.248 0.000 0.973 455 T HN 0.109 nan 8.240 nan 0.000 0.519 456 T N 4.692 119.061 114.554 -0.309 0.000 2.861 456 T HA 0.589 4.939 4.350 -0.001 0.000 0.287 456 T C -0.153 174.366 174.700 -0.302 0.000 1.003 456 T CA -0.700 61.193 62.100 -0.345 0.000 0.977 456 T CB 1.080 69.744 68.868 -0.340 0.000 0.996 456 T HN 0.350 nan 8.240 nan 0.000 0.448 457 L N 1.655 122.711 121.223 -0.277 0.000 2.313 457 L HA 0.859 5.199 4.340 -0.001 0.000 0.268 457 L C -0.038 176.684 176.870 -0.248 0.000 1.010 457 L CA -1.361 53.331 54.840 -0.247 0.000 0.814 457 L CB 1.628 43.544 42.059 -0.240 0.000 1.304 457 L HN 0.703 nan 8.230 nan 0.000 0.441 458 A N 2.765 125.425 122.820 -0.267 0.000 2.267 458 A HA 0.636 4.956 4.320 -0.001 0.000 0.315 458 A C -0.743 176.570 177.584 -0.452 0.000 1.297 458 A CA -0.432 51.401 52.037 -0.341 0.000 0.865 458 A CB 0.208 19.088 19.000 -0.200 0.000 1.165 458 A HN 0.390 nan 8.150 nan 0.000 0.513 459 I N 3.193 123.428 120.570 -0.559 0.000 2.330 459 I HA 0.242 4.412 4.170 -0.001 0.000 0.289 459 I C -0.921 174.604 176.117 -0.986 0.000 1.001 459 I CA -0.661 60.242 61.300 -0.661 0.000 1.193 459 I CB 0.241 37.921 38.000 -0.534 0.000 1.345 459 I HN 0.513 nan 8.210 nan 0.000 0.461 460 Y N 6.345 126.299 120.300 -0.576 0.000 2.327 460 Y HA 0.469 5.019 4.550 -0.001 0.000 0.336 460 Y C 0.054 175.612 175.900 -0.570 0.000 1.035 460 Y CA -0.241 57.611 58.100 -0.414 0.000 1.165 460 Y CB 0.845 39.196 38.460 -0.181 0.000 1.181 460 Y HN 0.310 nan 8.280 nan 0.000 0.494 461 F N 0.799 120.796 119.950 0.078 0.000 2.509 461 F HA 0.560 5.087 4.527 -0.000 0.000 0.334 461 F C 0.015 175.845 175.800 0.049 0.000 1.060 461 F CA -1.186 56.830 58.000 0.028 0.000 0.997 461 F CB 1.431 40.377 39.000 -0.089 0.000 1.271 461 F HN 0.326 nan 8.300 nan 0.000 0.488 462 E N 0.520 120.857 120.200 0.229 0.000 2.263 462 E HA 0.492 4.842 4.350 -0.001 0.000 0.268 462 E C -1.724 174.958 176.600 0.136 0.000 0.884 462 E CA -0.631 55.861 56.400 0.155 0.000 0.766 462 E CB 2.078 31.855 29.700 0.128 0.000 1.196 462 E HN 0.388 nan 8.360 nan 0.000 0.416 463 V N 3.567 123.554 119.914 0.122 0.000 2.686 463 V HA 0.273 4.393 4.120 -0.001 0.000 0.295 463 V C -0.069 176.089 176.094 0.107 0.000 1.055 463 V CA -0.317 62.070 62.300 0.146 0.000 1.050 463 V CB 1.327 33.254 31.823 0.172 0.000 0.984 463 V HN 0.455 nan 8.190 nan 0.000 0.482 464 V N 4.237 124.208 119.914 0.096 0.000 2.638 464 V HA 0.629 4.748 4.120 -0.001 0.000 0.306 464 V C 0.167 176.244 176.094 -0.028 0.000 1.052 464 V CA -0.316 62.015 62.300 0.051 0.000 0.885 464 V CB 1.938 33.809 31.823 0.080 0.000 0.999 464 V HN 0.964 nan 8.190 nan 0.000 0.424 465 N N 2.088 120.732 118.700 -0.095 0.000 3.157 465 N HA -0.065 4.675 4.740 -0.001 0.000 0.170 465 N C 1.018 176.279 175.510 -0.415 0.000 1.192 465 N CA 0.491 53.352 53.050 -0.313 0.000 2.570 465 N CB -0.214 38.065 38.487 -0.348 0.000 1.145 465 N HN 0.642 nan 8.380 nan 0.000 0.789 466 Q N 1.226 120.959 119.800 -0.111 0.000 2.221 466 Q HA -0.260 4.080 4.340 -0.001 0.000 0.220 466 Q C 0.252 176.245 176.000 -0.012 0.000 1.057 466 Q CA 2.288 58.086 55.803 -0.008 0.000 0.949 466 Q CB -1.032 27.763 28.738 0.096 0.000 1.077 466 Q HN 0.698 nan 8.270 nan 0.000 0.436 467 H N -0.039 119.025 119.070 -0.010 0.000 4.802 467 H HA 0.016 4.571 4.556 -0.001 0.000 0.176 467 H C 1.079 176.396 175.328 -0.019 0.000 1.170 467 H CA 0.762 56.802 56.048 -0.013 0.000 1.431 467 H CB -1.757 27.995 29.762 -0.016 0.000 1.667 467 H HN 0.596 nan 8.280 nan 0.000 0.880 468 N N 2.020 120.702 118.700 -0.031 0.000 1.766 468 N HA -0.354 4.385 4.740 -0.001 0.000 0.130 468 N C 0.556 176.024 175.510 -0.071 0.000 0.518 468 N CA 2.324 55.344 53.050 -0.051 0.000 0.812 468 N CB -0.250 38.231 38.487 -0.010 0.000 0.765 468 N HN 0.649 nan 8.380 nan 0.000 1.327 469 A N 0.979 123.776 122.820 -0.039 0.000 3.245 469 A HA 0.369 4.689 4.320 -0.001 0.000 0.282 469 A C -2.088 175.470 177.584 -0.043 0.000 1.417 469 A CA -1.018 50.995 52.037 -0.039 0.000 1.149 469 A CB 0.352 19.344 19.000 -0.014 0.000 1.155 469 A HN 0.425 nan 8.150 nan 0.000 0.602 470 P HA 0.493 nan 4.420 nan 0.000 0.309 470 P C -0.113 177.123 177.300 -0.107 0.000 1.302 470 P CA -1.021 62.028 63.100 -0.084 0.000 0.835 470 P CB 0.812 32.395 31.700 -0.194 0.000 1.324 471 I N 1.844 122.366 120.570 -0.080 0.000 3.311 471 I HA -0.116 4.054 4.170 -0.001 0.000 0.304 471 I C -0.796 175.227 176.117 -0.156 0.000 1.245 471 I CA -0.351 60.895 61.300 -0.090 0.000 1.369 471 I CB -0.483 37.476 38.000 -0.068 0.000 1.433 471 I HN 0.297 nan 8.210 nan 0.000 0.525 472 P HA -0.099 nan 4.420 nan 0.000 0.231 472 P C 0.627 177.848 177.300 -0.132 0.000 1.168 472 P CA 0.368 63.374 63.100 -0.157 0.000 0.779 472 P CB 0.322 31.982 31.700 -0.067 0.000 0.844 473 Q N 0.789 120.540 119.800 -0.081 0.000 2.539 473 Q HA 0.291 4.631 4.340 -0.001 0.000 0.268 473 Q C 1.347 177.340 176.000 -0.013 0.000 1.109 473 Q CA 2.029 57.813 55.803 -0.032 0.000 0.968 473 Q CB -0.519 28.204 28.738 -0.025 0.000 1.309 473 Q HN 0.353 nan 8.270 nan 0.000 0.497 474 G N -0.073 108.754 108.800 0.045 0.000 2.211 474 G HA2 0.020 3.980 3.960 -0.001 0.000 0.201 474 G HA3 0.020 3.980 3.960 -0.001 0.000 0.201 474 G C 0.811 175.803 174.900 0.153 0.000 0.997 474 G CA 0.307 45.468 45.100 0.102 0.000 0.652 474 G HN 1.608 nan 8.290 nan 0.000 0.500 475 G N 0.264 109.157 108.800 0.154 0.000 2.779 475 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.284 475 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.284 475 G C 0.298 175.373 174.900 0.290 0.000 1.326 475 G CA 1.325 46.523 45.100 0.163 0.000 0.983 475 G HN 1.405 nan 8.290 nan 0.000 0.555 476 R N 0.729 121.335 120.500 0.176 0.000 2.700 476 R HA 0.656 4.996 4.340 -0.001 0.000 0.253 476 R C 0.614 176.956 176.300 0.071 0.000 1.091 476 R CA 0.099 56.203 56.100 0.006 0.000 1.104 476 R CB 0.675 30.874 30.300 -0.169 0.000 1.202 476 R HN 1.002 nan 8.270 nan 0.000 0.532 477 G N -1.108 107.457 108.800 -0.392 0.000 2.441 477 G HA2 0.685 4.644 3.960 -0.001 0.000 0.334 477 G HA3 0.685 4.644 3.960 -0.001 0.000 0.334 477 G C -1.335 173.536 174.900 -0.049 0.000 1.161 477 G CA -0.579 44.511 45.100 -0.017 0.000 0.935 477 G HN 0.607 nan 8.290 nan 0.000 0.488 478 A N 0.243 123.091 122.820 0.047 0.000 2.515 478 A HA 0.868 5.187 4.320 -0.001 0.000 0.296 478 A C -1.055 176.623 177.584 0.156 0.000 1.094 478 A CA -0.644 51.393 52.037 0.000 0.000 0.718 478 A CB 1.412 20.277 19.000 -0.225 0.000 1.307 478 A HN 0.682 nan 8.150 nan 0.000 0.408 479 I N 0.453 121.131 120.570 0.181 0.000 2.656 479 I HA 0.404 4.574 4.170 -0.001 0.000 0.292 479 I C -0.593 175.575 176.117 0.085 0.000 1.144 479 I CA -0.332 61.025 61.300 0.094 0.000 1.038 479 I CB 2.355 40.261 38.000 -0.156 0.000 1.244 479 I HN 0.800 nan 8.210 nan 0.000 0.420 480 Q N 4.627 124.380 119.800 -0.078 0.000 2.365 480 Q HA 0.621 4.961 4.340 -0.001 0.000 0.269 480 Q C -1.985 173.802 176.000 -0.356 0.000 1.061 480 Q CA -0.639 55.130 55.803 -0.058 0.000 0.816 480 Q CB 2.368 31.080 28.738 -0.044 0.000 1.325 480 Q HN 0.485 nan 8.270 nan 0.000 0.446 481 F N 2.018 121.945 119.950 -0.039 0.000 2.477 481 F HA 0.441 4.968 4.527 -0.001 0.000 0.335 481 F C -0.603 175.229 175.800 0.052 0.000 1.130 481 F CA -0.806 57.133 58.000 -0.102 0.000 0.948 481 F CB 1.783 40.497 39.000 -0.477 0.000 1.154 481 F HN 0.157 nan 8.300 nan 0.000 0.439 482 V N 2.543 122.592 119.914 0.225 0.000 2.378 482 V HA 0.491 4.611 4.120 -0.001 0.000 0.288 482 V C -0.458 175.779 176.094 0.238 0.000 1.016 482 V CA -0.609 61.817 62.300 0.209 0.000 0.840 482 V CB 1.672 33.565 31.823 0.116 0.000 0.994 482 V HN 0.795 nan 8.190 nan 0.000 0.431 483 T N 5.179 119.892 114.554 0.265 0.000 2.842 483 T HA 0.446 4.796 4.350 -0.001 0.000 0.308 483 T C -0.381 174.500 174.700 0.302 0.000 1.041 483 T CA -0.520 61.734 62.100 0.258 0.000 0.964 483 T CB 0.893 69.892 68.868 0.219 0.000 0.972 483 T HN 0.647 nan 8.240 nan 0.000 0.460 484 Q N 2.698 122.658 119.800 0.267 0.000 2.230 484 Q HA 0.671 5.011 4.340 -0.001 0.000 0.253 484 Q C -0.900 175.316 176.000 0.360 0.000 0.919 484 Q CA -0.928 55.034 55.803 0.264 0.000 0.908 484 Q CB 1.778 30.607 28.738 0.152 0.000 1.245 484 Q HN 0.876 nan 8.270 nan 0.000 0.437 485 Y N -1.874 118.487 120.300 0.102 0.000 2.713 485 Y HA 0.289 4.838 4.550 -0.001 0.000 0.335 485 Y C -1.575 174.407 175.900 0.136 0.000 1.222 485 Y CA -1.347 56.819 58.100 0.111 0.000 1.061 485 Y CB 1.398 39.914 38.460 0.095 0.000 1.314 485 Y HN 0.481 nan 8.280 nan 0.000 0.453 486 Q N 3.038 122.918 119.800 0.134 0.000 2.398 486 Q HA 0.187 4.527 4.340 -0.001 0.000 0.251 486 Q C -0.879 175.230 176.000 0.182 0.000 0.999 486 Q CA -0.661 55.176 55.803 0.058 0.000 0.874 486 Q CB 0.521 29.335 28.738 0.126 0.000 1.215 486 Q HN 0.842 nan 8.270 nan 0.000 0.470 487 H N 2.603 121.592 119.070 -0.135 0.000 2.771 487 H HA -0.028 4.528 4.556 -0.001 0.000 0.364 487 H C 0.861 176.310 175.328 0.202 0.000 1.133 487 H CA 1.239 57.346 56.048 0.099 0.000 1.423 487 H CB 1.385 31.119 29.762 -0.048 0.000 1.425 487 H HN 0.894 nan 8.280 nan 0.000 0.606 488 S N 1.906 117.602 115.700 -0.007 0.000 2.420 488 S HA -0.236 4.233 4.470 -0.001 0.000 0.237 488 S C 2.109 176.859 174.600 0.250 0.000 1.023 488 S CA 1.318 59.647 58.200 0.215 0.000 0.991 488 S CB -0.579 62.756 63.200 0.224 0.000 0.792 488 S HN 0.664 nan 8.310 nan 0.000 0.488 489 S N 0.645 116.686 115.700 0.568 0.000 2.507 489 S HA 0.318 4.788 4.470 -0.001 0.000 0.235 489 S C 1.762 176.428 174.600 0.109 0.000 0.988 489 S CA 0.893 59.254 58.200 0.269 0.000 0.944 489 S CB -0.877 62.397 63.200 0.124 0.000 0.762 489 S HN 1.543 nan 8.310 nan 0.000 0.526 490 G N 0.092 108.954 108.800 0.104 0.000 2.258 490 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.233 490 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.233 490 G C -0.002 174.904 174.900 0.010 0.000 1.006 490 G CA 0.128 45.243 45.100 0.025 0.000 0.620 490 G HN 0.727 nan 8.290 nan 0.000 0.511 491 Q N 0.831 120.633 119.800 0.004 0.000 2.311 491 Q HA 0.575 4.915 4.340 -0.001 0.000 0.272 491 Q C 0.606 176.562 176.000 -0.073 0.000 1.012 491 Q CA -0.048 55.723 55.803 -0.053 0.000 0.891 491 Q CB 0.404 29.066 28.738 -0.128 0.000 1.201 491 Q HN 0.441 nan 8.270 nan 0.000 0.391 492 R N 2.477 122.932 120.500 -0.076 0.000 2.441 492 R HA 0.463 4.802 4.340 -0.001 0.000 0.284 492 R C -0.792 175.420 176.300 -0.146 0.000 1.070 492 R CA 0.105 56.145 56.100 -0.101 0.000 1.047 492 R CB 0.708 30.982 30.300 -0.043 0.000 1.016 492 R HN 0.722 nan 8.270 nan 0.000 0.477 493 R N 3.201 123.557 120.500 -0.240 0.000 2.739 493 R HA 0.503 4.843 4.340 -0.001 0.000 0.271 493 R C -0.990 175.299 176.300 -0.019 0.000 1.010 493 R CA -0.845 55.150 56.100 -0.174 0.000 0.897 493 R CB 1.794 31.923 30.300 -0.285 0.000 1.236 493 R HN 0.464 nan 8.270 nan 0.000 0.466 494 I N 1.775 122.425 120.570 0.133 0.000 2.439 494 I HA 0.351 4.521 4.170 -0.001 0.000 0.283 494 I C -0.557 175.750 176.117 0.317 0.000 1.023 494 I CA -0.781 60.659 61.300 0.234 0.000 1.100 494 I CB 1.887 39.993 38.000 0.177 0.000 1.238 494 I HN 0.268 nan 8.210 nan 0.000 0.445 495 R N 5.539 126.235 120.500 0.327 0.000 2.254 495 R HA 0.639 4.979 4.340 -0.001 0.000 0.318 495 R C -1.481 174.984 176.300 0.274 0.000 1.031 495 R CA -0.258 56.002 56.100 0.267 0.000 0.905 495 R CB 1.129 31.566 30.300 0.229 0.000 1.050 495 R HN 0.404 nan 8.270 nan 0.000 0.456 496 V N 4.119 124.192 119.914 0.264 0.000 2.540 496 V HA 0.537 4.656 4.120 -0.001 0.000 0.302 496 V C -0.625 175.620 176.094 0.252 0.000 1.035 496 V CA -0.639 61.831 62.300 0.285 0.000 0.873 496 V CB 2.204 34.246 31.823 0.365 0.000 0.992 496 V HN 0.898 nan 8.190 nan 0.000 0.428 497 T N 2.637 117.370 114.554 0.298 0.000 2.879 497 T HA 0.564 4.913 4.350 -0.001 0.000 0.290 497 T C -0.418 174.499 174.700 0.361 0.000 0.993 497 T CA -0.553 61.729 62.100 0.303 0.000 0.975 497 T CB 1.661 70.713 68.868 0.307 0.000 0.981 497 T HN 0.665 nan 8.240 nan 0.000 0.439 498 T N 3.388 118.115 114.554 0.288 0.000 2.812 498 T HA 0.715 5.065 4.350 -0.001 0.000 0.282 498 T C -0.327 174.506 174.700 0.222 0.000 0.990 498 T CA -0.720 61.549 62.100 0.282 0.000 0.960 498 T CB 0.602 69.619 68.868 0.249 0.000 0.948 498 T HN 0.654 nan 8.240 nan 0.000 0.438 499 I N -0.099 120.610 120.570 0.232 0.000 2.689 499 I HA 1.000 5.170 4.170 -0.001 0.000 0.299 499 I C -0.795 175.332 176.117 0.016 0.000 1.059 499 I CA -1.457 59.924 61.300 0.136 0.000 1.055 499 I CB 1.862 40.004 38.000 0.238 0.000 1.243 499 I HN 0.730 nan 8.210 nan 0.000 0.425 500 A N 4.416 127.172 122.820 -0.108 0.000 2.422 500 A HA 0.954 5.274 4.320 -0.001 0.000 0.302 500 A C -0.755 176.573 177.584 -0.426 0.000 1.041 500 A CA -0.793 51.099 52.037 -0.242 0.000 0.708 500 A CB 1.467 20.365 19.000 -0.169 0.000 1.257 500 A HN 0.642 nan 8.150 nan 0.000 0.414 501 R N 1.581 121.593 120.500 -0.813 0.000 2.807 501 R HA 0.430 4.770 4.340 -0.001 0.000 0.276 501 R C -1.039 174.711 176.300 -0.916 0.000 0.979 501 R CA -0.966 54.522 56.100 -1.019 0.000 0.928 501 R CB 1.404 30.579 30.300 -1.874 0.000 1.191 501 R HN 0.809 nan 8.270 nan 0.000 0.471 502 N N 0.853 119.181 118.700 -0.620 0.000 2.518 502 N HA 0.076 4.816 4.740 -0.001 0.000 0.266 502 N C -0.316 174.986 175.510 -0.347 0.000 1.196 502 N CA 0.227 53.048 53.050 -0.380 0.000 0.947 502 N CB 0.587 38.952 38.487 -0.204 0.000 1.098 502 N HN 0.298 nan 8.380 nan 0.000 0.450 503 W N 0.613 121.861 121.300 -0.088 0.000 2.215 503 W HA 0.521 5.181 4.660 -0.001 0.000 0.342 503 W C 0.263 176.781 176.519 -0.002 0.000 1.237 503 W CA -0.418 56.931 57.345 0.007 0.000 1.283 503 W CB 0.855 30.338 29.460 0.037 0.000 1.131 503 W HN 0.405 nan 8.180 nan 0.000 0.606 504 A N 1.753 124.780 122.820 0.345 0.000 2.549 504 A HA 0.281 4.601 4.320 -0.001 0.000 0.297 504 A C -1.650 176.024 177.584 0.150 0.000 1.061 504 A CA -0.727 51.419 52.037 0.183 0.000 0.690 504 A CB 1.526 20.601 19.000 0.124 0.000 1.287 504 A HN 0.481 nan 8.150 nan 0.000 0.402 505 D N 2.239 122.693 120.400 0.089 0.000 2.365 505 D HA 0.441 5.081 4.640 -0.001 0.000 0.237 505 D C 1.266 177.595 176.300 0.048 0.000 1.190 505 D CA 0.547 54.578 54.000 0.052 0.000 0.867 505 D CB 1.467 42.285 40.800 0.030 0.000 1.050 505 D HN 0.572 nan 8.370 nan 0.000 0.491 506 A N 4.076 126.922 122.820 0.044 0.000 2.019 506 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 506 A C 1.671 179.263 177.584 0.015 0.000 1.164 506 A CA 1.169 53.225 52.037 0.032 0.000 0.644 506 A CB -0.216 18.796 19.000 0.021 0.000 0.805 506 A HN 0.691 nan 8.150 nan 0.000 0.449 507 Q N -0.846 118.959 119.800 0.008 0.000 2.373 507 Q HA 0.066 4.405 4.340 -0.001 0.000 0.206 507 Q C 0.189 176.191 176.000 0.003 0.000 0.942 507 Q CA 0.984 56.786 55.803 -0.001 0.000 0.953 507 Q CB 0.150 28.884 28.738 -0.005 0.000 1.022 507 Q HN 0.619 nan 8.270 nan 0.000 0.502 508 T N -1.476 113.086 114.554 0.013 0.000 3.259 508 T HA 0.056 4.406 4.350 -0.001 0.000 0.287 508 T C 0.554 175.270 174.700 0.027 0.000 0.874 508 T CA -0.248 61.861 62.100 0.016 0.000 0.878 508 T CB 0.492 69.369 68.868 0.016 0.000 1.223 508 T HN 0.099 nan 8.240 nan 0.000 0.630 509 Q N 0.280 120.102 119.800 0.037 0.000 2.023 509 Q HA 0.418 4.758 4.340 -0.001 0.000 0.211 509 Q C 1.316 177.358 176.000 0.070 0.000 0.787 509 Q CA -0.100 55.735 55.803 0.053 0.000 1.035 509 Q CB 0.667 29.442 28.738 0.061 0.000 1.221 509 Q HN 0.390 nan 8.270 nan 0.000 0.443 510 I N 1.115 121.721 120.570 0.060 0.000 2.229 510 I HA -0.408 3.762 4.170 -0.001 0.000 0.250 510 I C 1.789 177.995 176.117 0.148 0.000 1.096 510 I CA 1.769 63.124 61.300 0.092 0.000 1.358 510 I CB 0.044 38.071 38.000 0.045 0.000 1.047 510 I HN 0.261 nan 8.210 nan 0.000 0.422 511 Q N 0.690 120.554 119.800 0.107 0.000 1.967 511 Q HA -0.192 4.148 4.340 -0.001 0.000 0.202 511 Q C 1.884 177.955 176.000 0.119 0.000 0.985 511 Q CA 1.846 57.716 55.803 0.111 0.000 0.839 511 Q CB -0.681 28.100 28.738 0.071 0.000 0.906 511 Q HN 0.420 nan 8.270 nan 0.000 0.423 512 N N -0.070 118.691 118.700 0.103 0.000 2.258 512 N HA -0.132 4.608 4.740 -0.001 0.000 0.187 512 N C 1.388 176.981 175.510 0.138 0.000 1.012 512 N CA 1.073 54.192 53.050 0.114 0.000 0.870 512 N CB -0.108 38.433 38.487 0.090 0.000 0.977 512 N HN 0.255 nan 8.380 nan 0.000 0.434 513 I N -0.241 120.420 120.570 0.151 0.000 2.296 513 I HA -0.086 4.084 4.170 -0.001 0.000 0.242 513 I C 2.237 178.543 176.117 0.316 0.000 1.087 513 I CA 0.628 62.038 61.300 0.183 0.000 1.393 513 I CB -0.335 37.727 38.000 0.103 0.000 1.093 513 I HN 0.101 nan 8.210 nan 0.000 0.421 514 A N 0.983 124.010 122.820 0.344 0.000 1.940 514 A HA -0.205 4.114 4.320 -0.001 0.000 0.219 514 A C 2.501 180.265 177.584 0.300 0.000 1.176 514 A CA 1.953 54.259 52.037 0.449 0.000 0.631 514 A CB -0.841 18.454 19.000 0.492 0.000 0.814 514 A HN 0.447 nan 8.150 nan 0.000 0.446 515 A N 0.342 123.215 122.820 0.088 0.000 1.978 515 A HA -0.103 4.216 4.320 -0.001 0.000 0.220 515 A C 2.396 179.665 177.584 -0.525 0.000 1.170 515 A CA 2.214 54.087 52.037 -0.274 0.000 0.636 515 A CB -0.936 17.812 19.000 -0.418 0.000 0.810 515 A HN 1.107 nan 8.150 nan 0.000 0.448 516 S N -1.441 114.200 115.700 -0.099 0.000 2.555 516 S HA 0.049 4.518 4.470 -0.001 0.000 0.230 516 S C 0.505 175.162 174.600 0.096 0.000 0.978 516 S CA -0.240 58.035 58.200 0.124 0.000 0.934 516 S CB -0.696 62.672 63.200 0.281 0.000 0.766 516 S HN 0.326 nan 8.310 nan 0.000 0.533 517 F N 3.424 123.230 119.950 -0.240 0.000 2.629 517 F HA 0.237 4.763 4.527 -0.001 0.000 0.369 517 F C 0.412 175.881 175.800 -0.553 0.000 1.125 517 F CA -0.337 57.208 58.000 -0.759 0.000 1.330 517 F CB 0.440 38.615 39.000 -1.374 0.000 1.071 517 F HN 0.093 nan 8.300 nan 0.000 0.595 518 D N 5.257 124.987 120.400 -1.117 0.000 2.434 518 D HA 0.079 4.719 4.640 -0.001 0.000 0.275 518 D C 0.951 176.605 176.300 -1.076 0.000 1.172 518 D CA -0.209 53.347 54.000 -0.741 0.000 0.916 518 D CB 0.615 41.185 40.800 -0.384 0.000 1.041 518 D HN 0.764 nan 8.370 nan 0.000 0.501 519 Q N 1.519 120.694 119.800 -1.042 0.000 2.133 519 Q HA -0.246 4.093 4.340 -0.001 0.000 0.208 519 Q C 0.783 176.693 176.000 -0.150 0.000 0.991 519 Q CA 1.462 56.917 55.803 -0.581 0.000 0.867 519 Q CB -0.093 28.618 28.738 -0.046 0.000 0.911 519 Q HN 0.457 nan 8.270 nan 0.000 0.417 520 E N 1.342 121.466 120.200 -0.127 0.000 2.017 520 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 520 E C 2.241 178.670 176.600 -0.285 0.000 0.997 520 E CA 1.098 57.381 56.400 -0.194 0.000 0.804 520 E CB -0.285 29.328 29.700 -0.145 0.000 0.757 520 E HN 0.538 nan 8.360 nan 0.000 0.448 521 A N 1.877 124.535 122.820 -0.270 0.000 1.865 521 A HA -0.196 4.124 4.320 -0.001 0.000 0.217 521 A C 2.501 179.956 177.584 -0.215 0.000 1.191 521 A CA 2.117 54.007 52.037 -0.244 0.000 0.623 521 A CB -1.018 17.850 19.000 -0.221 0.000 0.826 521 A HN 0.306 nan 8.150 nan 0.000 0.444 522 A N -0.181 122.458 122.820 -0.301 0.000 1.903 522 A HA -0.006 4.313 4.320 -0.001 0.000 0.219 522 A C 2.545 180.205 177.584 0.126 0.000 1.191 522 A CA 2.873 54.822 52.037 -0.147 0.000 0.638 522 A CB -1.273 17.450 19.000 -0.462 0.000 0.823 522 A HN 1.247 nan 8.150 nan 0.000 0.451 523 A N 0.047 122.904 122.820 0.063 0.000 1.849 523 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 523 A C 2.046 179.595 177.584 -0.058 0.000 1.202 523 A CA 1.852 53.840 52.037 -0.081 0.000 0.629 523 A CB -0.685 18.119 19.000 -0.327 0.000 0.834 523 A HN 0.423 nan 8.150 nan 0.000 0.447 524 I N 0.034 120.528 120.570 -0.127 0.000 2.151 524 I HA -0.263 3.907 4.170 -0.001 0.000 0.243 524 I C 2.582 178.722 176.117 0.037 0.000 1.080 524 I CA 1.395 62.667 61.300 -0.046 0.000 1.339 524 I CB -1.513 36.375 38.000 -0.186 0.000 1.039 524 I HN 0.319 nan 8.210 nan 0.000 0.409 525 L N -0.605 120.626 121.223 0.013 0.000 2.043 525 L HA -0.275 4.065 4.340 -0.001 0.000 0.212 525 L C 2.708 179.751 176.870 0.288 0.000 1.075 525 L CA 1.341 56.243 54.840 0.103 0.000 0.752 525 L CB -0.481 41.602 42.059 0.042 0.000 0.891 525 L HN 0.231 nan 8.230 nan 0.000 0.432 526 M N -0.888 118.882 119.600 0.282 0.000 2.175 526 M HA -0.132 4.348 4.480 -0.001 0.000 0.264 526 M C 2.565 179.051 176.300 0.310 0.000 1.063 526 M CA 1.839 57.356 55.300 0.363 0.000 1.119 526 M CB -1.271 31.538 32.600 0.349 0.000 1.377 526 M HN 0.301 nan 8.290 nan 0.000 0.415 527 A N -0.225 122.715 122.820 0.200 0.000 1.933 527 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 527 A C 2.339 180.035 177.584 0.186 0.000 1.175 527 A CA 1.792 53.907 52.037 0.130 0.000 0.628 527 A CB -0.609 18.413 19.000 0.037 0.000 0.814 527 A HN 0.386 nan 8.150 nan 0.000 0.444 528 R N -0.463 120.195 120.500 0.263 0.000 2.081 528 R HA -0.002 4.338 4.340 -0.001 0.000 0.235 528 R C 1.986 178.395 176.300 0.181 0.000 1.131 528 R CA 1.447 57.692 56.100 0.242 0.000 0.960 528 R CB -0.478 29.940 30.300 0.196 0.000 0.856 528 R HN 0.545 nan 8.270 nan 0.000 0.436 529 L N -0.576 120.743 121.223 0.160 0.000 2.027 529 L HA -0.094 4.245 4.340 -0.001 0.000 0.206 529 L C 2.528 179.432 176.870 0.057 0.000 1.074 529 L CA 1.321 56.169 54.840 0.014 0.000 0.745 529 L CB -0.568 41.467 42.059 -0.041 0.000 0.898 529 L HN 0.289 nan 8.230 nan 0.000 0.433 530 A N 0.298 123.237 122.820 0.198 0.000 1.908 530 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 530 A C 2.209 179.853 177.584 0.099 0.000 1.181 530 A CA 1.714 53.879 52.037 0.214 0.000 0.627 530 A CB -0.709 18.487 19.000 0.328 0.000 0.818 530 A HN 0.391 nan 8.150 nan 0.000 0.445 531 I N -2.363 118.265 120.570 0.096 0.000 2.439 531 I HA -0.182 3.988 4.170 -0.001 0.000 0.251 531 I C 2.407 178.575 176.117 0.086 0.000 1.139 531 I CA 1.208 62.550 61.300 0.070 0.000 1.438 531 I CB -0.344 37.691 38.000 0.058 0.000 1.085 531 I HN 0.498 nan 8.210 nan 0.000 0.427 532 Y N 2.136 122.428 120.300 -0.014 0.000 2.181 532 Y HA -0.204 4.345 4.550 -0.001 0.000 0.288 532 Y C 2.684 178.547 175.900 -0.061 0.000 1.146 532 Y CA 1.539 59.617 58.100 -0.036 0.000 1.164 532 Y CB -0.195 38.223 38.460 -0.070 0.000 0.982 532 Y HN -0.034 nan 8.280 nan 0.000 0.515 533 R N -0.137 120.330 120.500 -0.056 0.000 2.073 533 R HA -0.141 4.199 4.340 -0.001 0.000 0.234 533 R C 2.492 178.703 176.300 -0.148 0.000 1.134 533 R CA 1.114 57.124 56.100 -0.150 0.000 0.952 533 R CB -0.834 29.380 30.300 -0.144 0.000 0.850 533 R HN 0.414 nan 8.270 nan 0.000 0.433 534 A N 1.549 124.315 122.820 -0.091 0.000 2.042 534 A HA -0.227 4.092 4.320 -0.001 0.000 0.222 534 A C 1.816 179.327 177.584 -0.123 0.000 1.167 534 A CA 1.641 53.622 52.037 -0.094 0.000 0.649 534 A CB -0.248 18.712 19.000 -0.066 0.000 0.809 534 A HN 0.293 nan 8.150 nan 0.000 0.457 535 E N -0.333 119.777 120.200 -0.149 0.000 2.057 535 E HA -0.004 4.346 4.350 -0.001 0.000 0.190 535 E C 0.879 177.379 176.600 -0.167 0.000 0.969 535 E CA 0.685 56.999 56.400 -0.143 0.000 0.812 535 E CB -1.054 28.541 29.700 -0.174 0.000 0.777 535 E HN 0.495 nan 8.360 nan 0.000 0.455 536 T N 2.442 116.840 114.554 -0.260 0.000 2.709 536 T HA -0.088 4.262 4.350 -0.001 0.000 0.345 536 T C 1.089 175.713 174.700 -0.126 0.000 1.086 536 T CA 0.284 62.252 62.100 -0.219 0.000 1.084 536 T CB 0.258 68.972 68.868 -0.257 0.000 1.000 536 T HN 0.148 nan 8.240 nan 0.000 0.549 537 E N 0.166 120.311 120.200 -0.092 0.000 2.483 537 E HA -0.129 4.221 4.350 -0.001 0.000 0.205 537 E C 0.200 176.768 176.600 -0.053 0.000 1.075 537 E CA 0.739 57.105 56.400 -0.057 0.000 0.889 537 E CB -0.152 29.523 29.700 -0.041 0.000 0.816 537 E HN 0.584 nan 8.360 nan 0.000 0.567 538 E N 0.371 120.528 120.200 -0.072 0.000 2.227 538 E HA 0.292 4.641 4.350 -0.001 0.000 0.282 538 E C 0.435 177.003 176.600 -0.053 0.000 1.015 538 E CA -0.495 55.870 56.400 -0.058 0.000 0.823 538 E CB 1.493 31.148 29.700 -0.074 0.000 1.081 538 E HN 0.165 nan 8.360 nan 0.000 0.396 539 G N 2.869 111.651 108.800 -0.030 0.000 2.829 539 G HA2 0.109 4.069 3.960 -0.001 0.000 0.173 539 G HA3 0.109 4.069 3.960 -0.001 0.000 0.173 539 G C -1.515 173.376 174.900 -0.014 0.000 1.476 539 G CA -0.593 44.490 45.100 -0.029 0.000 1.072 539 G HN 0.426 nan 8.290 nan 0.000 0.577 540 P HA 0.046 nan 4.420 nan 0.000 0.250 540 P C -0.083 177.246 177.300 0.047 0.000 1.239 540 P CA 0.575 63.688 63.100 0.021 0.000 0.756 540 P CB 0.141 31.860 31.700 0.032 0.000 1.013 541 D N -0.531 119.899 120.400 0.051 0.000 2.349 541 D HA -0.027 4.613 4.640 -0.001 0.000 0.224 541 D C 1.850 178.230 176.300 0.134 0.000 1.029 541 D CA 0.295 54.344 54.000 0.082 0.000 0.879 541 D CB 0.138 40.976 40.800 0.064 0.000 0.906 541 D HN 0.100 nan 8.370 nan 0.000 0.528 542 V N 1.032 121.015 119.914 0.114 0.000 2.229 542 V HA -0.212 3.907 4.120 -0.001 0.000 0.243 542 V C 2.693 178.920 176.094 0.222 0.000 1.042 542 V CA 1.057 63.466 62.300 0.181 0.000 1.000 542 V CB -0.541 31.342 31.823 0.101 0.000 0.637 542 V HN 0.176 nan 8.190 nan 0.000 0.446 543 L N -0.186 121.113 121.223 0.127 0.000 2.051 543 L HA -0.295 4.044 4.340 -0.001 0.000 0.214 543 L C 2.722 179.660 176.870 0.113 0.000 1.076 543 L CA 2.206 57.106 54.840 0.099 0.000 0.758 543 L CB -0.732 41.363 42.059 0.060 0.000 0.890 543 L HN 0.324 nan 8.230 nan 0.000 0.433 544 R N -0.304 120.272 120.500 0.127 0.000 2.103 544 R HA -0.271 4.069 4.340 -0.001 0.000 0.234 544 R C 2.306 178.693 176.300 0.146 0.000 1.132 544 R CA 2.502 58.675 56.100 0.122 0.000 0.925 544 R CB -0.670 29.705 30.300 0.125 0.000 0.842 544 R HN 0.427 nan 8.270 nan 0.000 0.430 545 W N 0.972 122.302 121.300 0.051 0.000 2.338 545 W HA -0.229 4.430 4.660 -0.001 0.000 0.304 545 W C 1.747 178.318 176.519 0.087 0.000 1.212 545 W CA 1.161 58.544 57.345 0.063 0.000 1.264 545 W CB -0.549 28.944 29.460 0.056 0.000 1.142 545 W HN 0.227 nan 8.180 nan 0.000 0.512 546 L N 1.447 122.618 121.223 -0.088 0.000 2.012 546 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 546 L C 2.021 178.747 176.870 -0.240 0.000 1.073 546 L CA 2.475 57.118 54.840 -0.329 0.000 0.748 546 L CB -1.344 40.734 42.059 0.031 0.000 0.891 546 L HN -0.043 nan 8.230 nan 0.000 0.431 547 D N -1.065 119.290 120.400 -0.076 0.000 2.097 547 D HA -0.206 4.434 4.640 -0.001 0.000 0.195 547 D C 2.279 178.525 176.300 -0.091 0.000 0.989 547 D CA 1.098 55.080 54.000 -0.030 0.000 0.827 547 D CB -0.206 40.602 40.800 0.013 0.000 0.966 547 D HN 0.292 nan 8.370 nan 0.000 0.456 548 R N 0.489 120.921 120.500 -0.114 0.000 2.103 548 R HA -0.188 4.151 4.340 -0.001 0.000 0.242 548 R C 2.030 178.252 176.300 -0.130 0.000 1.142 548 R CA 1.368 57.408 56.100 -0.100 0.000 0.960 548 R CB 0.102 30.366 30.300 -0.059 0.000 0.858 548 R HN 0.129 nan 8.270 nan 0.000 0.439 549 Q N 0.477 120.118 119.800 -0.265 0.000 2.079 549 Q HA -0.162 4.177 4.340 -0.001 0.000 0.200 549 Q C 2.140 178.129 176.000 -0.017 0.000 0.974 549 Q CA 0.994 56.677 55.803 -0.200 0.000 0.840 549 Q CB -0.585 27.882 28.738 -0.451 0.000 0.898 549 Q HN 0.295 nan 8.270 nan 0.000 0.430 550 L N 0.893 122.130 121.223 0.024 0.000 2.013 550 L HA -0.171 4.169 4.340 -0.001 0.000 0.212 550 L C 2.112 179.030 176.870 0.080 0.000 1.073 550 L CA 1.595 56.538 54.840 0.172 0.000 0.753 550 L CB -0.779 41.387 42.059 0.178 0.000 0.890 550 L HN 0.145 nan 8.230 nan 0.000 0.432 551 I N -0.712 119.838 120.570 -0.034 0.000 2.127 551 I HA -0.347 3.823 4.170 -0.001 0.000 0.241 551 I C 2.694 178.783 176.117 -0.047 0.000 1.075 551 I CA 1.578 62.815 61.300 -0.104 0.000 1.334 551 I CB -0.459 37.462 38.000 -0.133 0.000 1.040 551 I HN 0.260 nan 8.210 nan 0.000 0.405 552 R N 0.212 120.709 120.500 -0.004 0.000 2.117 552 R HA -0.222 4.118 4.340 -0.001 0.000 0.243 552 R C 2.300 178.658 176.300 0.096 0.000 1.143 552 R CA 1.472 57.593 56.100 0.035 0.000 0.968 552 R CB -0.520 29.811 30.300 0.051 0.000 0.863 552 R HN 0.263 nan 8.270 nan 0.000 0.444 553 L N 0.317 121.635 121.223 0.158 0.000 2.027 553 L HA -0.178 4.161 4.340 -0.001 0.000 0.206 553 L C 2.214 179.306 176.870 0.369 0.000 1.074 553 L CA 1.649 56.665 54.840 0.294 0.000 0.745 553 L CB -0.445 41.750 42.059 0.226 0.000 0.898 553 L HN 0.205 nan 8.230 nan 0.000 0.433 554 C N -0.595 118.875 119.300 0.283 0.000 2.413 554 C HA -0.207 4.253 4.460 -0.001 0.000 0.276 554 C C 2.706 177.754 174.990 0.096 0.000 1.236 554 C CA 1.027 60.130 59.018 0.142 0.000 1.735 554 C CB -1.060 26.502 27.740 -0.296 0.000 2.031 554 C HN 0.603 nan 8.230 nan 0.000 0.474 555 Q N 0.357 120.167 119.800 0.018 0.000 2.135 555 Q HA -0.246 4.094 4.340 -0.001 0.000 0.204 555 Q C 2.212 178.276 176.000 0.107 0.000 0.981 555 Q CA 1.637 57.485 55.803 0.075 0.000 0.856 555 Q CB -0.203 28.550 28.738 0.026 0.000 0.902 555 Q HN 0.681 nan 8.270 nan 0.000 0.425 556 K N -0.473 119.907 120.400 -0.032 0.000 2.262 556 K HA -0.004 4.316 4.320 -0.001 0.000 0.200 556 K C 0.560 176.767 176.600 -0.655 0.000 1.049 556 K CA 0.563 56.640 56.287 -0.351 0.000 0.979 556 K CB 0.397 32.586 32.500 -0.517 0.000 0.773 556 K HN 0.066 nan 8.250 nan 0.000 0.474 557 F N -0.270 119.670 119.950 -0.016 0.000 2.729 557 F HA 0.339 4.865 4.527 -0.001 0.000 0.315 557 F C 0.734 176.468 175.800 -0.110 0.000 1.102 557 F CA -0.776 57.096 58.000 -0.212 0.000 1.204 557 F CB 1.279 39.822 39.000 -0.762 0.000 1.052 557 F HN -0.077 nan 8.300 nan 0.000 0.551 558 G N 0.206 109.049 108.800 0.072 0.000 2.412 558 G HA2 0.416 4.375 3.960 -0.001 0.000 0.318 558 G HA3 0.416 4.375 3.960 -0.001 0.000 0.318 558 G C -0.607 174.197 174.900 -0.159 0.000 1.146 558 G CA -0.362 44.577 45.100 -0.269 0.000 0.882 558 G HN -0.123 nan 8.290 nan 0.000 0.501 559 E N 0.424 120.389 120.200 -0.392 0.000 2.229 559 E HA 0.420 4.770 4.350 -0.001 0.000 0.283 559 E C -0.989 175.459 176.600 -0.253 0.000 1.030 559 E CA 0.108 56.326 56.400 -0.302 0.000 0.836 559 E CB 1.353 30.887 29.700 -0.277 0.000 1.068 559 E HN 0.581 nan 8.360 nan 0.000 0.401 560 Y N -0.651 119.387 120.300 -0.437 0.000 2.721 560 Y HA 0.249 4.799 4.550 -0.000 0.000 0.357 560 Y C -1.353 174.321 175.900 -0.376 0.000 1.183 560 Y CA -1.160 56.705 58.100 -0.391 0.000 1.231 560 Y CB 0.619 38.984 38.460 -0.159 0.000 1.390 560 Y HN 0.333 nan 8.280 nan 0.000 0.488 561 H N 2.142 121.234 119.070 0.037 0.000 2.489 561 H HA 0.366 4.921 4.556 -0.001 0.000 0.322 561 H C -0.604 174.790 175.328 0.111 0.000 1.091 561 H CA -0.941 55.093 56.048 -0.024 0.000 1.291 561 H CB 1.838 31.598 29.762 -0.003 0.000 1.436 561 H HN 0.549 nan 8.280 nan 0.000 0.480 562 K N 2.185 122.679 120.400 0.156 0.000 2.524 562 K HA -0.119 4.200 4.320 -0.001 0.000 0.279 562 K C 0.049 176.742 176.600 0.155 0.000 0.993 562 K CA 0.573 56.971 56.287 0.186 0.000 1.030 562 K CB 0.286 32.845 32.500 0.098 0.000 0.891 562 K HN 0.708 nan 8.250 nan 0.000 0.488 563 D N 2.156 122.639 120.400 0.138 0.000 2.699 563 D HA -0.185 4.455 4.640 -0.001 0.000 0.239 563 D C -0.638 175.711 176.300 0.082 0.000 1.136 563 D CA 1.071 55.119 54.000 0.081 0.000 0.668 563 D CB -0.546 40.285 40.800 0.052 0.000 1.060 563 D HN 0.568 nan 8.370 nan 0.000 0.429 564 D N -1.162 119.308 120.400 0.117 0.000 2.714 564 D HA 0.220 4.859 4.640 -0.001 0.000 0.264 564 D C -1.870 174.498 176.300 0.112 0.000 1.231 564 D CA -1.659 52.409 54.000 0.113 0.000 0.802 564 D CB 1.192 42.088 40.800 0.160 0.000 1.319 564 D HN -0.116 nan 8.370 nan 0.000 0.528 565 P HA -0.181 nan 4.420 nan 0.000 0.217 565 P C 1.408 178.752 177.300 0.073 0.000 1.162 565 P CA 1.279 64.398 63.100 0.031 0.000 0.901 565 P CB 0.288 31.980 31.700 -0.014 0.000 0.793 566 S N -0.478 115.258 115.700 0.060 0.000 2.441 566 S HA -0.193 4.277 4.470 -0.001 0.000 0.242 566 S C 1.950 176.600 174.600 0.084 0.000 1.018 566 S CA 1.747 59.984 58.200 0.062 0.000 0.988 566 S CB -1.116 62.113 63.200 0.048 0.000 0.778 566 S HN 0.389 nan 8.310 nan 0.000 0.498 567 S N 0.202 115.972 115.700 0.117 0.000 2.496 567 S HA 0.130 4.600 4.470 -0.001 0.000 0.224 567 S C 0.414 175.042 174.600 0.047 0.000 0.996 567 S CA -0.395 57.873 58.200 0.112 0.000 0.927 567 S CB -0.514 62.813 63.200 0.212 0.000 0.774 567 S HN 0.351 nan 8.310 nan 0.000 0.524 568 F N 3.382 123.310 119.950 -0.036 0.000 2.578 568 F HA 0.422 4.949 4.527 -0.001 0.000 0.381 568 F C 0.536 176.269 175.800 -0.111 0.000 1.069 568 F CA -0.081 57.850 58.000 -0.116 0.000 1.231 568 F CB 0.346 39.196 39.000 -0.249 0.000 1.086 568 F HN 0.134 nan 8.300 nan 0.000 0.564 569 R N 6.292 126.272 120.500 -0.867 0.000 2.626 569 R HA 0.393 4.733 4.340 -0.001 0.000 0.274 569 R C -1.938 174.025 176.300 -0.560 0.000 1.031 569 R CA -0.660 55.173 56.100 -0.446 0.000 0.898 569 R CB 1.212 31.395 30.300 -0.196 0.000 1.222 569 R HN 0.705 nan 8.270 nan 0.000 0.455 570 F N 1.291 121.115 119.950 -0.210 0.000 2.458 570 F HA 0.334 4.861 4.527 -0.001 0.000 0.330 570 F C 0.807 176.598 175.800 -0.016 0.000 1.082 570 F CA -0.751 57.190 58.000 -0.098 0.000 0.995 570 F CB 2.161 41.237 39.000 0.128 0.000 1.170 570 F HN 0.500 nan 8.300 nan 0.000 0.478 571 S N 1.883 117.763 115.700 0.299 0.000 2.576 571 S HA -0.059 4.411 4.470 -0.001 0.000 0.272 571 S C 1.067 175.782 174.600 0.191 0.000 1.352 571 S CA -0.269 58.042 58.200 0.186 0.000 1.021 571 S CB 1.013 64.329 63.200 0.193 0.000 0.887 571 S HN 0.858 nan 8.310 nan 0.000 0.542 572 E N 1.366 121.642 120.200 0.126 0.000 2.401 572 E HA -0.094 4.256 4.350 -0.001 0.000 0.199 572 E C 1.227 177.874 176.600 0.079 0.000 1.023 572 E CA 1.117 57.573 56.400 0.094 0.000 0.859 572 E CB -0.154 29.584 29.700 0.063 0.000 0.780 572 E HN 0.807 nan 8.360 nan 0.000 0.523 573 T N -0.414 114.209 114.554 0.115 0.000 2.951 573 T HA -0.056 4.294 4.350 -0.001 0.000 0.268 573 T C 0.762 175.427 174.700 -0.058 0.000 1.073 573 T CA 0.821 62.943 62.100 0.037 0.000 1.134 573 T CB -0.030 68.882 68.868 0.074 0.000 0.884 573 T HN 0.180 nan 8.240 nan 0.000 0.479 574 F N 0.768 120.604 119.950 -0.189 0.000 2.637 574 F HA 0.175 4.702 4.527 -0.001 0.000 0.284 574 F C 2.517 178.099 175.800 -0.364 0.000 1.105 574 F CA 0.120 57.849 58.000 -0.451 0.000 1.356 574 F CB -0.757 37.423 39.000 -1.367 0.000 1.096 574 F HN 0.070 nan 8.300 nan 0.000 0.616 575 S N 1.014 116.743 115.700 0.049 0.000 2.448 575 S HA -0.298 4.172 4.470 -0.001 0.000 0.250 575 S C 1.750 176.419 174.600 0.116 0.000 1.088 575 S CA 1.941 60.254 58.200 0.189 0.000 1.058 575 S CB -1.139 62.155 63.200 0.157 0.000 0.873 575 S HN 0.495 nan 8.310 nan 0.000 0.473 576 L N -1.309 119.911 121.223 -0.004 0.000 2.477 576 L HA 0.213 4.553 4.340 -0.001 0.000 0.220 576 L C 2.351 179.060 176.870 -0.268 0.000 1.106 576 L CA 0.604 55.305 54.840 -0.233 0.000 0.851 576 L CB -0.489 41.317 42.059 -0.422 0.000 0.994 576 L HN 0.250 nan 8.230 nan 0.000 0.462 577 Y N 2.129 122.417 120.300 -0.021 0.000 2.114 577 Y HA -0.213 4.336 4.550 -0.000 0.000 0.282 577 Y C -0.388 175.656 175.900 0.240 0.000 1.165 577 Y CA 2.094 60.316 58.100 0.204 0.000 1.148 577 Y CB -1.223 37.384 38.460 0.244 0.000 0.972 577 Y HN 0.108 nan 8.280 nan 0.000 0.504 578 P HA -0.249 nan 4.420 nan 0.000 0.215 578 P C 1.349 178.832 177.300 0.305 0.000 1.157 578 P CA 2.462 65.795 63.100 0.389 0.000 0.874 578 P CB -0.179 31.761 31.700 0.400 0.000 0.790 579 Q N -1.442 118.445 119.800 0.145 0.000 2.170 579 Q HA -0.161 4.178 4.340 -0.001 0.000 0.203 579 Q C 1.952 178.074 176.000 0.203 0.000 0.976 579 Q CA 1.338 57.208 55.803 0.112 0.000 0.858 579 Q CB -0.526 28.190 28.738 -0.037 0.000 0.907 579 Q HN 0.222 nan 8.270 nan 0.000 0.433 580 F N -0.341 119.682 119.950 0.122 0.000 2.075 580 F HA -0.278 4.249 4.527 -0.001 0.000 0.297 580 F C 2.435 178.221 175.800 -0.023 0.000 1.113 580 F CA 0.455 58.474 58.000 0.032 0.000 1.218 580 F CB -0.106 38.816 39.000 -0.131 0.000 0.984 580 F HN 0.164 nan 8.300 nan 0.000 0.472 581 M N -0.313 119.351 119.600 0.107 0.000 2.082 581 M HA -0.263 4.217 4.480 -0.001 0.000 0.258 581 M C 2.239 178.512 176.300 -0.045 0.000 1.069 581 M CA 1.611 56.929 55.300 0.031 0.000 1.102 581 M CB -1.688 30.976 32.600 0.107 0.000 1.336 581 M HN 0.230 nan 8.290 nan 0.000 0.404 582 F N 1.162 120.988 119.950 -0.206 0.000 2.087 582 F HA -0.290 4.237 4.527 -0.000 0.000 0.299 582 F C 2.474 177.993 175.800 -0.468 0.000 1.100 582 F CA 1.966 59.570 58.000 -0.660 0.000 1.226 582 F CB -0.618 37.988 39.000 -0.657 0.000 0.983 582 F HN 0.278 nan 8.300 nan 0.000 0.479 583 H N -0.599 118.263 119.070 -0.348 0.000 2.502 583 H HA -0.015 4.541 4.556 -0.001 0.000 0.283 583 H C 2.142 177.315 175.328 -0.258 0.000 1.015 583 H CA 1.326 57.160 56.048 -0.356 0.000 1.298 583 H CB -0.298 29.445 29.762 -0.033 0.000 1.411 583 H HN 0.398 nan 8.280 nan 0.000 0.556 584 L N 2.034 123.210 121.223 -0.078 0.000 2.023 584 L HA -0.104 4.236 4.340 -0.001 0.000 0.205 584 L C 2.652 179.450 176.870 -0.120 0.000 1.073 584 L CA 1.409 56.203 54.840 -0.077 0.000 0.745 584 L CB -0.341 41.676 42.059 -0.070 0.000 0.900 584 L HN 0.082 nan 8.230 nan 0.000 0.435 585 R N 0.590 120.984 120.500 -0.176 0.000 2.193 585 R HA -0.165 4.174 4.340 -0.001 0.000 0.229 585 R C 1.656 177.835 176.300 -0.200 0.000 1.110 585 R CA 1.584 57.588 56.100 -0.160 0.000 0.988 585 R CB -0.824 29.383 30.300 -0.155 0.000 0.871 585 R HN 0.578 nan 8.270 nan 0.000 0.458 586 R N 1.358 121.676 120.500 -0.305 0.000 2.393 586 R HA 0.160 4.499 4.340 -0.001 0.000 0.244 586 R C 0.008 176.193 176.300 -0.191 0.000 0.920 586 R CA 0.139 56.073 56.100 -0.277 0.000 1.076 586 R CB 0.362 30.401 30.300 -0.434 0.000 1.119 586 R HN 0.162 nan 8.270 nan 0.000 0.524 587 S N -0.157 115.457 115.700 -0.143 0.000 2.632 587 S HA 0.175 4.645 4.470 -0.001 0.000 0.271 587 S C 0.817 175.323 174.600 -0.157 0.000 1.260 587 S CA -0.605 57.528 58.200 -0.110 0.000 1.010 587 S CB 1.893 65.105 63.200 0.019 0.000 0.965 587 S HN 0.174 nan 8.310 nan 0.000 0.534 588 S N 0.913 116.438 115.700 -0.291 0.000 2.465 588 S HA -0.059 4.411 4.470 -0.001 0.000 0.241 588 S C 0.963 175.376 174.600 -0.311 0.000 1.000 588 S CA 1.156 59.158 58.200 -0.330 0.000 0.964 588 S CB -0.758 62.152 63.200 -0.483 0.000 0.763 588 S HN 0.713 nan 8.310 nan 0.000 0.512 589 F N 0.714 120.586 119.950 -0.130 0.000 2.407 589 F HA 0.124 4.651 4.527 -0.000 0.000 0.299 589 F C 1.678 177.394 175.800 -0.140 0.000 1.097 589 F CA 0.683 58.605 58.000 -0.130 0.000 1.422 589 F CB -0.094 38.753 39.000 -0.256 0.000 1.067 589 F HN 0.160 nan 8.300 nan 0.000 0.539 590 L N -1.562 119.659 121.223 -0.002 0.000 2.878 590 L HA 0.173 4.512 4.340 -0.001 0.000 0.253 590 L C 0.097 176.880 176.870 -0.145 0.000 1.135 590 L CA 0.099 54.898 54.840 -0.067 0.000 0.943 590 L CB 0.220 42.257 42.059 -0.036 0.000 1.307 590 L HN -0.166 nan 8.230 nan 0.000 0.545 591 Q N 1.388 121.098 119.800 -0.150 0.000 2.706 591 Q HA 0.158 4.498 4.340 -0.001 0.000 0.250 591 Q C 1.163 177.030 176.000 -0.223 0.000 1.120 591 Q CA -0.028 55.680 55.803 -0.159 0.000 0.972 591 Q CB 1.426 30.108 28.738 -0.094 0.000 1.173 591 Q HN 0.198 nan 8.270 nan 0.000 0.522 592 V N -2.102 117.540 119.914 -0.453 0.000 2.427 592 V HA -0.143 3.976 4.120 -0.001 0.000 0.248 592 V C 1.580 177.417 176.094 -0.429 0.000 1.051 592 V CA 1.170 63.115 62.300 -0.592 0.000 1.048 592 V CB -1.017 29.994 31.823 -1.353 0.000 0.666 592 V HN 0.450 nan 8.190 nan 0.000 0.456 593 F N 1.568 121.358 119.950 -0.267 0.000 2.552 593 F HA -0.056 4.471 4.527 -0.001 0.000 0.292 593 F C 1.937 177.761 175.800 0.039 0.000 1.137 593 F CA 1.156 59.089 58.000 -0.113 0.000 1.496 593 F CB -0.574 38.332 39.000 -0.156 0.000 1.117 593 F HN 0.316 nan 8.300 nan 0.000 0.617 594 N N -0.586 118.212 118.700 0.164 0.000 2.170 594 N HA 0.090 4.830 4.740 -0.001 0.000 0.222 594 N C -0.402 175.180 175.510 0.120 0.000 1.218 594 N CA 0.159 53.285 53.050 0.128 0.000 0.889 594 N CB 0.374 38.891 38.487 0.051 0.000 1.083 594 N HN 0.227 nan 8.380 nan 0.000 0.520 595 N N -0.027 118.782 118.700 0.182 0.000 2.509 595 N HA 0.207 4.947 4.740 -0.001 0.000 0.280 595 N C -0.424 175.227 175.510 0.236 0.000 1.306 595 N CA -0.367 52.792 53.050 0.182 0.000 0.782 595 N CB 1.544 40.156 38.487 0.209 0.000 1.493 595 N HN -0.076 nan 8.380 nan 0.000 0.498 596 S N -0.559 115.186 115.700 0.075 0.000 2.610 596 S HA 0.341 4.811 4.470 -0.001 0.000 0.273 596 S C -1.916 172.500 174.600 -0.307 0.000 1.274 596 S CA -0.916 57.232 58.200 -0.086 0.000 1.023 596 S CB 1.823 64.950 63.200 -0.122 0.000 0.962 596 S HN 0.245 nan 8.310 nan 0.000 0.523 597 P HA -0.123 nan 4.420 nan 0.000 0.217 597 P C 0.496 177.472 177.300 -0.539 0.000 1.148 597 P CA 1.327 63.571 63.100 -1.426 0.000 0.834 597 P CB 0.010 30.808 31.700 -1.504 0.000 0.783 598 D N -0.919 119.260 120.400 -0.368 0.000 2.085 598 D HA -0.127 4.513 4.640 -0.001 0.000 0.199 598 D C 1.951 178.132 176.300 -0.198 0.000 0.981 598 D CA 1.034 54.888 54.000 -0.243 0.000 0.834 598 D CB -0.513 40.154 40.800 -0.223 0.000 0.992 598 D HN 0.261 nan 8.370 nan 0.000 0.457 599 E N 0.346 120.411 120.200 -0.226 0.000 2.049 599 E HA -0.172 4.177 4.350 -0.001 0.000 0.198 599 E C 2.181 178.575 176.600 -0.342 0.000 1.007 599 E CA 1.234 57.416 56.400 -0.363 0.000 0.809 599 E CB -0.210 29.324 29.700 -0.276 0.000 0.749 599 E HN 0.076 nan 8.360 nan 0.000 0.450 600 S N 0.962 116.657 115.700 -0.008 0.000 2.372 600 S HA -0.190 4.280 4.470 -0.001 0.000 0.227 600 S C 2.234 176.922 174.600 0.147 0.000 1.044 600 S CA 1.454 59.774 58.200 0.199 0.000 1.050 600 S CB -0.248 63.300 63.200 0.579 0.000 0.901 600 S HN 0.185 nan 8.310 nan 0.000 0.447 601 S N 0.055 115.810 115.700 0.092 0.000 2.383 601 S HA -0.086 4.383 4.470 -0.001 0.000 0.227 601 S C 1.598 176.248 174.600 0.083 0.000 1.026 601 S CA 1.095 59.348 58.200 0.088 0.000 0.981 601 S CB -0.431 62.775 63.200 0.009 0.000 0.818 601 S HN 0.644 nan 8.310 nan 0.000 0.472 602 Y N 1.286 121.495 120.300 -0.151 0.000 2.145 602 Y HA -0.214 4.335 4.550 -0.000 0.000 0.286 602 Y C 1.876 177.815 175.900 0.065 0.000 1.145 602 Y CA 1.330 59.345 58.100 -0.140 0.000 1.148 602 Y CB -0.637 37.612 38.460 -0.352 0.000 0.981 602 Y HN 0.315 nan 8.280 nan 0.000 0.507 603 Y N -0.207 120.092 120.300 -0.002 0.000 2.114 603 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 603 Y C 2.696 178.859 175.900 0.438 0.000 1.143 603 Y CA 1.314 59.359 58.100 -0.091 0.000 1.135 603 Y CB -0.358 37.851 38.460 -0.417 0.000 0.980 603 Y HN -0.062 nan 8.280 nan 0.000 0.499 604 R N -0.685 120.136 120.500 0.535 0.000 2.105 604 R HA -0.231 4.108 4.340 -0.001 0.000 0.239 604 R C 2.028 178.520 176.300 0.320 0.000 1.135 604 R CA 1.795 58.186 56.100 0.486 0.000 0.967 604 R CB -0.646 29.851 30.300 0.329 0.000 0.861 604 R HN 0.473 nan 8.270 nan 0.000 0.442 605 H N 0.242 119.373 119.070 0.103 0.000 2.289 605 H HA -0.157 4.398 4.556 -0.000 0.000 0.296 605 H C 1.928 177.196 175.328 -0.099 0.000 1.091 605 H CA 2.026 58.032 56.048 -0.070 0.000 1.274 605 H CB -0.041 29.570 29.762 -0.251 0.000 1.364 605 H HN 0.271 nan 8.280 nan 0.000 0.490 606 H N -1.482 117.673 119.070 0.143 0.000 2.428 606 H HA -0.103 4.452 4.556 -0.001 0.000 0.296 606 H C 2.010 177.369 175.328 0.050 0.000 1.062 606 H CA 1.234 57.350 56.048 0.114 0.000 1.350 606 H CB -0.444 29.520 29.762 0.338 0.000 1.403 606 H HN 0.432 nan 8.280 nan 0.000 0.533 607 F N 1.173 121.225 119.950 0.169 0.000 2.259 607 F HA -0.097 4.430 4.527 -0.001 0.000 0.298 607 F C 2.110 177.803 175.800 -0.178 0.000 1.088 607 F CA 0.757 58.706 58.000 -0.084 0.000 1.358 607 F CB 0.023 38.813 39.000 -0.350 0.000 1.040 607 F HN -0.051 nan 8.300 nan 0.000 0.505 608 M N -0.334 119.223 119.600 -0.072 0.000 2.659 608 M HA 0.004 4.484 4.480 -0.001 0.000 0.243 608 M C 1.635 177.776 176.300 -0.265 0.000 1.111 608 M CA 0.943 56.151 55.300 -0.154 0.000 1.070 608 M CB -0.674 31.915 32.600 -0.018 0.000 1.525 608 M HN 0.233 nan 8.290 nan 0.000 0.517 609 R N -0.720 119.597 120.500 -0.304 0.000 2.098 609 R HA 0.105 4.445 4.340 -0.001 0.000 0.203 609 R C 0.703 176.809 176.300 -0.323 0.000 1.166 609 R CA -0.097 55.829 56.100 -0.290 0.000 1.090 609 R CB 0.245 30.394 30.300 -0.251 0.000 0.992 609 R HN 0.236 nan 8.270 nan 0.000 0.477 610 Q N 2.077 121.661 119.800 -0.359 0.000 2.410 610 Q HA -0.112 4.228 4.340 -0.001 0.000 0.329 610 Q C -0.463 175.288 176.000 -0.415 0.000 1.211 610 Q CA 0.898 56.458 55.803 -0.404 0.000 1.015 610 Q CB 0.109 28.529 28.738 -0.530 0.000 1.276 610 Q HN 0.323 nan 8.270 nan 0.000 0.436 611 D N -0.521 119.669 120.400 -0.350 0.000 2.433 611 D HA -0.005 4.635 4.640 -0.001 0.000 0.255 611 D C 1.121 177.222 176.300 -0.331 0.000 1.226 611 D CA -0.454 53.358 54.000 -0.314 0.000 1.015 611 D CB 0.340 40.991 40.800 -0.248 0.000 1.091 611 D HN 0.510 nan 8.370 nan 0.000 0.527 612 L N -0.536 120.518 121.223 -0.281 0.000 2.042 612 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 612 L C 1.954 178.680 176.870 -0.240 0.000 1.076 612 L CA 1.897 56.576 54.840 -0.268 0.000 0.749 612 L CB -0.622 41.306 42.059 -0.219 0.000 0.893 612 L HN 0.506 nan 8.230 nan 0.000 0.432 613 T N -0.434 114.004 114.554 -0.194 0.000 2.622 613 T HA -0.197 4.152 4.350 -0.001 0.000 0.266 613 T C 1.859 176.462 174.700 -0.161 0.000 1.047 613 T CA 1.647 63.659 62.100 -0.146 0.000 1.159 613 T CB -0.215 68.592 68.868 -0.101 0.000 0.863 613 T HN 0.398 nan 8.240 nan 0.000 0.422 614 Q N 0.930 120.602 119.800 -0.215 0.000 2.124 614 Q HA 0.002 4.341 4.340 -0.001 0.000 0.202 614 Q C 2.700 178.494 176.000 -0.344 0.000 0.977 614 Q CA 0.990 56.615 55.803 -0.297 0.000 0.850 614 Q CB -0.931 27.511 28.738 -0.493 0.000 0.901 614 Q HN 0.382 nan 8.270 nan 0.000 0.429 615 S N 0.976 116.450 115.700 -0.378 0.000 2.365 615 S HA -0.133 4.337 4.470 -0.001 0.000 0.225 615 S C 1.996 176.534 174.600 -0.103 0.000 1.039 615 S CA 0.949 58.932 58.200 -0.362 0.000 1.033 615 S CB -0.320 62.544 63.200 -0.559 0.000 0.887 615 S HN 0.293 nan 8.310 nan 0.000 0.447 616 L N 0.802 121.919 121.223 -0.178 0.000 2.012 616 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 616 L C 2.192 179.018 176.870 -0.073 0.000 1.073 616 L CA 1.456 56.188 54.840 -0.179 0.000 0.748 616 L CB -0.555 41.378 42.059 -0.210 0.000 0.891 616 L HN 0.365 nan 8.230 nan 0.000 0.431 617 I N -0.820 119.723 120.570 -0.045 0.000 2.208 617 I HA -0.371 3.799 4.170 -0.001 0.000 0.245 617 I C 2.607 178.751 176.117 0.045 0.000 1.097 617 I CA 1.449 62.754 61.300 0.009 0.000 1.363 617 I CB -0.238 37.795 38.000 0.055 0.000 1.051 617 I HN 0.312 nan 8.210 nan 0.000 0.413 618 M N -0.069 119.570 119.600 0.065 0.000 2.159 618 M HA -0.213 4.267 4.480 -0.001 0.000 0.263 618 M C 2.318 178.787 176.300 0.281 0.000 1.063 618 M CA 1.930 57.361 55.300 0.219 0.000 1.110 618 M CB -0.235 32.578 32.600 0.355 0.000 1.374 618 M HN 0.224 nan 8.290 nan 0.000 0.411 619 I N -1.279 119.375 120.570 0.139 0.000 2.584 619 I HA -0.133 4.037 4.170 -0.001 0.000 0.255 619 I C 1.209 177.353 176.117 0.044 0.000 1.145 619 I CA 0.796 62.131 61.300 0.059 0.000 1.462 619 I CB 0.289 38.260 38.000 -0.048 0.000 1.102 619 I HN 0.314 nan 8.210 nan 0.000 0.433 620 Q N 1.336 121.134 119.800 -0.002 0.000 2.786 620 Q HA 0.294 4.634 4.340 -0.001 0.000 0.240 620 Q C -2.508 173.422 176.000 -0.117 0.000 0.928 620 Q CA -1.914 53.812 55.803 -0.128 0.000 0.721 620 Q CB 1.687 30.420 28.738 -0.008 0.000 1.318 620 Q HN -0.052 nan 8.270 nan 0.000 0.474 621 P HA -0.035 nan 4.420 nan 0.000 0.265 621 P C -0.644 176.595 177.300 -0.101 0.000 1.187 621 P CA 0.637 63.697 63.100 -0.066 0.000 0.766 621 P CB 0.534 32.207 31.700 -0.045 0.000 0.820 622 I N 2.964 123.479 120.570 -0.091 0.000 2.396 622 I HA 0.291 4.461 4.170 -0.001 0.000 0.292 622 I C 0.125 176.112 176.117 -0.216 0.000 0.999 622 I CA -0.519 60.655 61.300 -0.210 0.000 1.310 622 I CB 0.748 38.575 38.000 -0.288 0.000 1.404 622 I HN 0.153 nan 8.210 nan 0.000 0.496 623 L N 8.046 129.103 121.223 -0.276 0.000 2.372 623 L HA 0.467 4.807 4.340 -0.001 0.000 0.273 623 L C -1.325 175.454 176.870 -0.151 0.000 0.989 623 L CA -0.192 54.576 54.840 -0.121 0.000 0.841 623 L CB 0.625 42.656 42.059 -0.046 0.000 1.225 623 L HN 0.281 nan 8.230 nan 0.000 0.414 624 Y N 3.319 123.664 120.300 0.074 0.000 2.361 624 Y HA 0.788 5.337 4.550 -0.001 0.000 0.332 624 Y C 0.495 176.449 175.900 0.089 0.000 1.101 624 Y CA -0.686 57.431 58.100 0.028 0.000 1.137 624 Y CB 1.600 40.049 38.460 -0.019 0.000 1.207 624 Y HN 0.682 nan 8.280 nan 0.000 0.463 625 A N 2.525 125.427 122.820 0.138 0.000 2.337 625 A HA 0.792 5.112 4.320 -0.001 0.000 0.329 625 A C -1.887 175.707 177.584 0.016 0.000 1.146 625 A CA -0.652 51.486 52.037 0.169 0.000 0.800 625 A CB 0.402 19.472 19.000 0.117 0.000 1.220 625 A HN 0.653 nan 8.150 nan 0.000 0.472 626 Y N 0.825 121.174 120.300 0.080 0.000 2.409 626 Y HA 0.639 5.189 4.550 -0.000 0.000 0.343 626 Y C 0.493 176.409 175.900 0.027 0.000 0.973 626 Y CA -0.518 57.607 58.100 0.042 0.000 1.064 626 Y CB 2.394 40.864 38.460 0.016 0.000 1.207 626 Y HN 0.844 nan 8.280 nan 0.000 0.452 627 S N 0.766 116.546 115.700 0.135 0.000 2.543 627 S HA 0.399 4.869 4.470 -0.001 0.000 0.274 627 S C -0.166 174.502 174.600 0.112 0.000 1.149 627 S CA -0.987 57.272 58.200 0.099 0.000 0.866 627 S CB 0.354 63.638 63.200 0.140 0.000 1.111 627 S HN 0.516 nan 8.310 nan 0.000 0.457 628 F N 1.956 122.026 119.950 0.200 0.000 2.236 628 F HA -0.109 4.418 4.527 -0.001 0.000 0.302 628 F C 1.942 177.814 175.800 0.119 0.000 1.073 628 F CA 1.251 59.350 58.000 0.166 0.000 1.336 628 F CB -0.023 39.083 39.000 0.178 0.000 1.040 628 F HN 0.707 nan 8.300 nan 0.000 0.507 629 S N 0.455 116.326 115.700 0.285 0.000 3.940 629 S HA 0.578 5.048 4.470 -0.001 0.000 0.210 629 S C 0.246 174.920 174.600 0.124 0.000 1.419 629 S CA -0.034 58.276 58.200 0.182 0.000 0.912 629 S CB -0.029 63.265 63.200 0.156 0.000 1.489 629 S HN 0.573 nan 8.310 nan 0.000 0.469 630 G N 2.699 111.566 108.800 0.112 0.000 2.617 630 G HA2 0.026 3.986 3.960 -0.001 0.000 0.686 630 G HA3 0.026 3.986 3.960 -0.001 0.000 0.686 630 G C -3.021 171.907 174.900 0.046 0.000 1.214 630 G CA -0.996 44.146 45.100 0.070 0.000 0.796 630 G HN 0.464 nan 8.290 nan 0.000 0.654 631 P HA 0.311 nan 4.420 nan 0.000 0.270 631 P C -2.539 174.710 177.300 -0.085 0.000 1.227 631 P CA -0.784 62.304 63.100 -0.020 0.000 0.788 631 P CB -0.369 31.322 31.700 -0.016 0.000 0.926 632 P HA 0.113 nan 4.420 nan 0.000 0.261 632 P C -0.602 176.589 177.300 -0.183 0.000 1.183 632 P CA 0.896 63.737 63.100 -0.430 0.000 0.761 632 P CB 0.155 31.398 31.700 -0.761 0.000 0.785 633 E N 4.598 124.735 120.200 -0.105 0.000 2.275 633 E HA 0.324 4.674 4.350 -0.001 0.000 0.270 633 E C -2.545 174.077 176.600 0.037 0.000 0.882 633 E CA -2.442 53.960 56.400 0.002 0.000 0.758 633 E CB 1.293 30.991 29.700 -0.002 0.000 1.195 633 E HN 0.269 nan 8.360 nan 0.000 0.419 634 P HA -0.055 nan 4.420 nan 0.000 0.265 634 P C -0.872 176.392 177.300 -0.061 0.000 1.187 634 P CA -0.073 62.964 63.100 -0.105 0.000 0.766 634 P CB 0.478 32.079 31.700 -0.164 0.000 0.820 635 V N 1.429 121.302 119.914 -0.069 0.000 3.040 635 V HA 0.508 4.628 4.120 -0.001 0.000 0.312 635 V C -0.369 175.707 176.094 -0.030 0.000 1.115 635 V CA -1.530 60.755 62.300 -0.024 0.000 0.998 635 V CB 1.669 33.500 31.823 0.013 0.000 1.042 635 V HN 0.282 nan 8.190 nan 0.000 0.433 636 L N 2.369 123.589 121.223 -0.006 0.000 2.543 636 L HA 0.172 4.512 4.340 -0.001 0.000 0.285 636 L C 0.601 177.481 176.870 0.017 0.000 1.236 636 L CA 0.482 55.327 54.840 0.009 0.000 0.871 636 L CB 0.121 42.191 42.059 0.020 0.000 1.121 636 L HN 0.806 nan 8.230 nan 0.000 0.501 637 L N 4.971 126.217 121.223 0.038 0.000 2.912 637 L HA 0.119 4.458 4.340 -0.001 0.000 0.246 637 L C -0.083 176.844 176.870 0.096 0.000 1.371 637 L CA 0.250 55.120 54.840 0.050 0.000 1.196 637 L CB -0.908 41.176 42.059 0.042 0.000 1.596 637 L HN 0.708 nan 8.230 nan 0.000 0.429 638 D N -1.812 118.622 120.400 0.057 0.000 2.374 638 D HA 0.183 4.823 4.640 -0.001 0.000 0.239 638 D C 0.826 177.141 176.300 0.025 0.000 0.991 638 D CA -0.352 53.677 54.000 0.049 0.000 0.960 638 D CB 2.257 43.078 40.800 0.035 0.000 1.284 638 D HN -0.007 nan 8.370 nan 0.000 0.512 639 S N 0.074 115.786 115.700 0.021 0.000 2.402 639 S HA -0.168 4.302 4.470 -0.001 0.000 0.229 639 S C 1.954 176.566 174.600 0.020 0.000 1.021 639 S CA 1.350 59.555 58.200 0.009 0.000 0.974 639 S CB -0.268 62.940 63.200 0.013 0.000 0.800 639 S HN 0.636 nan 8.310 nan 0.000 0.484 640 S N 2.000 117.714 115.700 0.023 0.000 2.402 640 S HA -0.118 4.352 4.470 -0.001 0.000 0.233 640 S C 1.771 176.392 174.600 0.034 0.000 1.030 640 S CA 1.465 59.681 58.200 0.027 0.000 1.003 640 S CB -0.639 62.574 63.200 0.022 0.000 0.813 640 S HN 0.365 nan 8.310 nan 0.000 0.477 641 S N 1.234 116.953 115.700 0.032 0.000 2.481 641 S HA 0.272 4.742 4.470 -0.001 0.000 0.231 641 S C 0.666 175.303 174.600 0.061 0.000 0.996 641 S CA 0.319 58.545 58.200 0.042 0.000 0.942 641 S CB -0.473 62.748 63.200 0.034 0.000 0.768 641 S HN 0.563 nan 8.310 nan 0.000 0.520 642 I N 3.072 123.674 120.570 0.053 0.000 2.329 642 I HA 0.184 4.354 4.170 -0.001 0.000 0.295 642 I C -0.393 175.791 176.117 0.112 0.000 1.109 642 I CA 0.065 61.417 61.300 0.088 0.000 1.297 642 I CB 0.027 38.048 38.000 0.034 0.000 1.433 642 I HN 0.040 nan 8.210 nan 0.000 0.509 643 L N 4.442 125.742 121.223 0.127 0.000 2.313 643 L HA 0.582 4.921 4.340 -0.001 0.000 0.268 643 L C 1.302 178.217 176.870 0.075 0.000 1.010 643 L CA -0.601 54.292 54.840 0.087 0.000 0.814 643 L CB 1.687 43.790 42.059 0.074 0.000 1.304 643 L HN 0.559 nan 8.230 nan 0.000 0.441 644 A N 0.380 123.202 122.820 0.003 0.000 1.929 644 A HA -0.124 4.196 4.320 -0.001 0.000 0.216 644 A C 1.301 178.835 177.584 -0.082 0.000 1.176 644 A CA 1.488 53.478 52.037 -0.078 0.000 0.628 644 A CB -0.373 18.539 19.000 -0.147 0.000 0.816 644 A HN 0.891 nan 8.150 nan 0.000 0.444 645 D N -1.370 119.013 120.400 -0.028 0.000 2.358 645 D HA 0.123 4.762 4.640 -0.001 0.000 0.224 645 D C 0.494 176.860 176.300 0.109 0.000 1.123 645 D CA -0.142 53.867 54.000 0.016 0.000 0.833 645 D CB -0.016 40.822 40.800 0.062 0.000 0.946 645 D HN 0.302 nan 8.370 nan 0.000 0.505 646 R N 0.025 120.589 120.500 0.108 0.000 2.803 646 R HA 0.640 4.979 4.340 -0.001 0.000 0.276 646 R C -0.879 175.528 176.300 0.179 0.000 0.978 646 R CA -0.675 55.516 56.100 0.150 0.000 0.939 646 R CB 1.976 32.364 30.300 0.148 0.000 1.179 646 R HN -0.046 nan 8.270 nan 0.000 0.472 647 I N 4.317 125.011 120.570 0.208 0.000 2.441 647 I HA 0.355 4.525 4.170 -0.001 0.000 0.295 647 I C -0.681 175.591 176.117 0.257 0.000 0.994 647 I CA -0.792 60.624 61.300 0.193 0.000 1.144 647 I CB 1.695 39.763 38.000 0.113 0.000 1.314 647 I HN 0.375 nan 8.210 nan 0.000 0.445 648 L N 6.226 127.584 121.223 0.224 0.000 2.346 648 L HA 0.509 4.848 4.340 -0.001 0.000 0.274 648 L C -0.943 176.035 176.870 0.179 0.000 1.007 648 L CA -0.786 54.209 54.840 0.257 0.000 0.818 648 L CB 2.250 44.447 42.059 0.230 0.000 1.284 648 L HN 0.366 nan 8.230 nan 0.000 0.424 649 L N 4.839 126.228 121.223 0.278 0.000 2.353 649 L HA 0.465 4.804 4.340 -0.001 0.000 0.270 649 L C -0.787 176.233 176.870 0.251 0.000 1.003 649 L CA -0.255 54.721 54.840 0.226 0.000 0.862 649 L CB 1.397 43.655 42.059 0.331 0.000 1.221 649 L HN 0.733 nan 8.230 nan 0.000 0.430 650 M N 4.485 124.161 119.600 0.127 0.000 2.113 650 M HA 0.280 4.759 4.480 -0.001 0.000 0.352 650 M C -1.052 175.300 176.300 0.087 0.000 1.170 650 M CA -0.181 55.173 55.300 0.091 0.000 1.053 650 M CB 0.939 33.562 32.600 0.038 0.000 1.601 650 M HN 0.610 nan 8.290 nan 0.000 0.459 651 D N 4.153 124.615 120.400 0.103 0.000 2.462 651 D HA 0.240 4.880 4.640 -0.001 0.000 0.249 651 D C -0.319 176.012 176.300 0.051 0.000 1.117 651 D CA -0.185 53.870 54.000 0.091 0.000 0.900 651 D CB 1.139 42.042 40.800 0.171 0.000 1.039 651 D HN 0.648 nan 8.370 nan 0.000 0.516 652 T N 1.650 116.224 114.554 0.034 0.000 2.771 652 T HA 0.143 4.493 4.350 -0.001 0.000 0.290 652 T C 0.906 175.606 174.700 0.000 0.000 1.005 652 T CA -0.492 61.631 62.100 0.039 0.000 0.944 652 T CB 0.388 69.300 68.868 0.074 0.000 1.147 652 T HN 0.279 nan 8.240 nan 0.000 0.534 653 F N 0.218 120.004 119.950 -0.274 0.000 2.234 653 F HA 0.201 4.728 4.527 -0.000 0.000 0.296 653 F C 1.536 177.067 175.800 -0.449 0.000 1.089 653 F CA 0.829 58.555 58.000 -0.456 0.000 1.343 653 F CB -0.418 38.143 39.000 -0.733 0.000 1.040 653 F HN 0.594 nan 8.300 nan 0.000 0.498 654 F N 0.665 120.632 119.950 0.030 0.000 2.558 654 F HA 0.059 4.586 4.527 -0.001 0.000 0.298 654 F C 0.628 176.407 175.800 -0.036 0.000 1.119 654 F CA 0.249 58.252 58.000 0.006 0.000 1.451 654 F CB -0.567 38.599 39.000 0.276 0.000 1.091 654 F HN 0.043 nan 8.300 nan 0.000 0.563 655 Q N -0.262 119.580 119.800 0.070 0.000 2.418 655 Q HA 0.517 4.857 4.340 -0.001 0.000 0.282 655 Q C -1.498 174.494 176.000 -0.015 0.000 1.044 655 Q CA -0.953 54.865 55.803 0.025 0.000 0.813 655 Q CB 2.309 31.079 28.738 0.053 0.000 1.428 655 Q HN -0.094 nan 8.270 nan 0.000 0.402 656 I N 2.866 123.421 120.570 -0.025 0.000 2.355 656 I HA 0.428 4.597 4.170 -0.001 0.000 0.288 656 I C -0.864 175.163 176.117 -0.150 0.000 0.999 656 I CA -0.605 60.686 61.300 -0.015 0.000 1.163 656 I CB 1.264 39.316 38.000 0.086 0.000 1.316 656 I HN 0.755 nan 8.210 nan 0.000 0.454 657 L N 7.637 128.782 121.223 -0.129 0.000 2.346 657 L HA 0.649 4.988 4.340 -0.001 0.000 0.276 657 L C -1.114 175.661 176.870 -0.157 0.000 1.006 657 L CA -0.473 54.238 54.840 -0.215 0.000 0.817 657 L CB 2.114 44.109 42.059 -0.107 0.000 1.272 657 L HN 0.414 nan 8.230 nan 0.000 0.421 658 I N 4.519 124.936 120.570 -0.254 0.000 2.406 658 I HA 0.270 4.440 4.170 -0.001 0.000 0.290 658 I C -1.524 174.479 176.117 -0.191 0.000 0.999 658 I CA -0.634 60.538 61.300 -0.213 0.000 1.124 658 I CB 1.774 39.598 38.000 -0.294 0.000 1.289 658 I HN 0.541 nan 8.210 nan 0.000 0.441 659 Y N 6.235 126.395 120.300 -0.233 0.000 2.328 659 Y HA 0.413 4.963 4.550 -0.001 0.000 0.336 659 Y C -0.447 175.380 175.900 -0.121 0.000 0.960 659 Y CA -0.644 57.361 58.100 -0.157 0.000 1.134 659 Y CB 0.645 39.084 38.460 -0.035 0.000 1.166 659 Y HN 0.442 nan 8.280 nan 0.000 0.464 660 H N 4.425 123.239 119.070 -0.428 0.000 2.668 660 H HA 0.312 4.867 4.556 -0.001 0.000 0.303 660 H C 0.497 175.524 175.328 -0.502 0.000 1.074 660 H CA 0.007 55.865 56.048 -0.316 0.000 1.406 660 H CB 1.044 30.693 29.762 -0.190 0.000 1.442 660 H HN 0.982 nan 8.280 nan 0.000 0.482 661 G N 1.903 110.649 108.800 -0.090 0.000 2.636 661 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.246 661 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.246 661 G C 1.116 175.942 174.900 -0.124 0.000 1.216 661 G CA -0.348 44.715 45.100 -0.062 0.000 0.854 661 G HN 0.764 nan 8.290 nan 0.000 0.572 662 E N -0.086 119.986 120.200 -0.212 0.000 2.068 662 E HA -0.226 4.123 4.350 -0.001 0.000 0.207 662 E C 2.529 178.953 176.600 -0.292 0.000 1.032 662 E CA 2.200 58.391 56.400 -0.348 0.000 0.839 662 E CB -0.206 29.076 29.700 -0.697 0.000 0.758 662 E HN 0.534 nan 8.360 nan 0.000 0.457 663 T N 1.082 115.424 114.554 -0.353 0.000 2.597 663 T HA -0.204 4.145 4.350 -0.001 0.000 0.267 663 T C 1.892 176.226 174.700 -0.610 0.000 1.053 663 T CA 1.796 63.552 62.100 -0.574 0.000 1.165 663 T CB -0.315 68.160 68.868 -0.655 0.000 0.863 663 T HN 0.212 nan 8.240 nan 0.000 0.427 664 I N 1.104 121.493 120.570 -0.303 0.000 2.454 664 I HA -0.192 3.977 4.170 -0.001 0.000 0.254 664 I C 2.821 178.957 176.117 0.032 0.000 1.156 664 I CA 0.926 62.250 61.300 0.041 0.000 1.433 664 I CB -0.523 37.588 38.000 0.185 0.000 1.082 664 I HN 0.221 nan 8.210 nan 0.000 0.432 665 A N 0.495 123.272 122.820 -0.072 0.000 1.902 665 A HA -0.240 4.080 4.320 -0.001 0.000 0.217 665 A C 2.269 179.840 177.584 -0.022 0.000 1.181 665 A CA 1.474 53.480 52.037 -0.051 0.000 0.623 665 A CB -0.505 18.478 19.000 -0.029 0.000 0.818 665 A HN 0.459 nan 8.150 nan 0.000 0.443 666 Q N -1.563 118.188 119.800 -0.082 0.000 2.046 666 Q HA -0.183 4.157 4.340 -0.001 0.000 0.200 666 Q C 2.010 178.024 176.000 0.024 0.000 0.975 666 Q CA 1.337 57.104 55.803 -0.060 0.000 0.836 666 Q CB -0.253 28.390 28.738 -0.158 0.000 0.896 666 Q HN 0.853 nan 8.270 nan 0.000 0.428 667 W N 1.350 122.508 121.300 -0.238 0.000 2.325 667 W HA -0.142 4.518 4.660 -0.001 0.000 0.299 667 W C 2.266 178.743 176.519 -0.069 0.000 1.215 667 W CA 0.857 57.891 57.345 -0.517 0.000 1.244 667 W CB -0.562 28.327 29.460 -0.951 0.000 1.140 667 W HN 0.196 nan 8.180 nan 0.000 0.523 668 R N 1.201 121.906 120.500 0.342 0.000 2.093 668 R HA -0.085 4.255 4.340 -0.001 0.000 0.224 668 R C 1.742 178.132 176.300 0.150 0.000 1.101 668 R CA 1.129 57.387 56.100 0.265 0.000 0.979 668 R CB -0.359 29.965 30.300 0.039 0.000 0.877 668 R HN 0.109 nan 8.270 nan 0.000 0.441 669 K N -0.126 120.340 120.400 0.109 0.000 2.432 669 K HA 0.016 4.336 4.320 -0.001 0.000 0.196 669 K C 1.853 178.519 176.600 0.110 0.000 1.038 669 K CA 0.789 57.126 56.287 0.084 0.000 0.986 669 K CB 0.099 32.633 32.500 0.057 0.000 0.782 669 K HN 0.013 nan 8.250 nan 0.000 0.485 670 S N -0.835 114.970 115.700 0.175 0.000 2.458 670 S HA 0.039 4.508 4.470 -0.001 0.000 0.223 670 S C 1.302 176.012 174.600 0.183 0.000 1.019 670 S CA 1.052 59.384 58.200 0.220 0.000 0.937 670 S CB 0.166 63.620 63.200 0.423 0.000 0.788 670 S HN 0.535 nan 8.310 nan 0.000 0.511 671 G N -0.302 108.630 108.800 0.220 0.000 2.179 671 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.220 671 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.220 671 G C 0.506 175.474 174.900 0.114 0.000 0.990 671 G CA 0.300 45.475 45.100 0.126 0.000 0.646 671 G HN 0.487 nan 8.290 nan 0.000 0.517 672 Y N 1.306 121.535 120.300 -0.118 0.000 2.283 672 Y HA -0.206 4.343 4.550 -0.001 0.000 0.285 672 Y C 2.908 178.793 175.900 -0.025 0.000 1.176 672 Y CA 2.239 60.137 58.100 -0.338 0.000 1.229 672 Y CB -0.525 37.438 38.460 -0.829 0.000 0.975 672 Y HN 0.556 nan 8.280 nan 0.000 0.537 673 Q N -0.323 119.675 119.800 0.330 0.000 2.096 673 Q HA -0.208 4.131 4.340 -0.001 0.000 0.204 673 Q C 1.835 177.901 176.000 0.109 0.000 0.982 673 Q CA 1.830 57.764 55.803 0.219 0.000 0.850 673 Q CB -0.460 28.319 28.738 0.069 0.000 0.901 673 Q HN 0.413 nan 8.270 nan 0.000 0.422 674 D N -0.163 120.279 120.400 0.069 0.000 2.117 674 D HA -0.061 4.579 4.640 -0.001 0.000 0.198 674 D C 0.064 176.389 176.300 0.042 0.000 0.982 674 D CA 0.425 54.446 54.000 0.035 0.000 0.828 674 D CB 0.059 40.869 40.800 0.016 0.000 0.967 674 D HN 0.160 nan 8.370 nan 0.000 0.464 675 M N 1.369 120.998 119.600 0.049 0.000 2.261 675 M HA 0.006 4.485 4.480 -0.001 0.000 0.350 675 M C -1.478 174.896 176.300 0.123 0.000 1.343 675 M CA -0.530 54.815 55.300 0.074 0.000 1.003 675 M CB 0.431 33.078 32.600 0.078 0.000 1.848 675 M HN 0.013 nan 8.290 nan 0.000 0.456 676 P HA -0.119 nan 4.420 nan 0.000 0.226 676 P C 0.279 177.607 177.300 0.047 0.000 1.153 676 P CA 1.305 64.435 63.100 0.049 0.000 0.777 676 P CB 0.110 31.823 31.700 0.022 0.000 0.794 677 E N -0.286 119.960 120.200 0.076 0.000 2.072 677 E HA -0.142 4.208 4.350 -0.001 0.000 0.191 677 E C 0.457 176.958 176.600 -0.165 0.000 0.985 677 E CA 1.032 57.396 56.400 -0.059 0.000 0.801 677 E CB -0.727 28.919 29.700 -0.090 0.000 0.750 677 E HN 0.378 nan 8.360 nan 0.000 0.452 678 Y N 1.810 122.117 120.300 0.012 0.000 2.903 678 Y HA 0.125 4.674 4.550 -0.000 0.000 0.387 678 Y C 1.301 177.252 175.900 0.085 0.000 1.189 678 Y CA -0.421 57.714 58.100 0.058 0.000 1.856 678 Y CB -0.210 38.325 38.460 0.126 0.000 1.917 678 Y HN -0.039 nan 8.280 nan 0.000 0.448 679 E N 0.721 120.980 120.200 0.099 0.000 2.033 679 E HA -0.228 4.121 4.350 -0.001 0.000 0.199 679 E C 1.453 178.086 176.600 0.055 0.000 1.011 679 E CA 1.242 57.657 56.400 0.026 0.000 0.815 679 E CB -0.007 29.711 29.700 0.029 0.000 0.755 679 E HN 0.622 nan 8.360 nan 0.000 0.451 680 N N 0.532 119.367 118.700 0.225 0.000 2.036 680 N HA -0.192 4.548 4.740 -0.001 0.000 0.195 680 N C 1.860 177.682 175.510 0.519 0.000 1.037 680 N CA 0.964 54.270 53.050 0.427 0.000 0.855 680 N CB -0.754 37.982 38.487 0.415 0.000 1.033 680 N HN 0.111 nan 8.380 nan 0.000 0.423 681 F N 2.597 122.804 119.950 0.428 0.000 2.087 681 F HA -0.183 4.344 4.527 -0.001 0.000 0.299 681 F C 2.584 178.487 175.800 0.172 0.000 1.100 681 F CA 1.498 59.749 58.000 0.417 0.000 1.226 681 F CB -0.462 38.732 39.000 0.323 0.000 0.983 681 F HN -0.048 nan 8.300 nan 0.000 0.479 682 R N -0.936 119.570 120.500 0.010 0.000 2.139 682 R HA -0.212 4.128 4.340 -0.001 0.000 0.243 682 R C 2.338 178.544 176.300 -0.156 0.000 1.145 682 R CA 1.763 57.760 56.100 -0.171 0.000 0.976 682 R CB -0.534 29.691 30.300 -0.125 0.000 0.866 682 R HN 0.410 nan 8.270 nan 0.000 0.449 683 H N 0.235 119.298 119.070 -0.011 0.000 2.307 683 H HA -0.127 4.428 4.556 -0.001 0.000 0.303 683 H C 2.034 177.320 175.328 -0.069 0.000 1.073 683 H CA 1.446 57.489 56.048 -0.009 0.000 1.338 683 H CB -0.434 29.364 29.762 0.059 0.000 1.389 683 H HN 0.152 nan 8.280 nan 0.000 0.503 684 L N 1.025 122.269 121.223 0.034 0.000 2.013 684 L HA -0.184 4.156 4.340 -0.001 0.000 0.212 684 L C 2.360 179.120 176.870 -0.183 0.000 1.073 684 L CA 1.387 56.147 54.840 -0.133 0.000 0.753 684 L CB -0.901 40.919 42.059 -0.397 0.000 0.890 684 L HN 0.158 nan 8.230 nan 0.000 0.432 685 L N -1.151 119.886 121.223 -0.309 0.000 2.079 685 L HA -0.234 4.105 4.340 -0.001 0.000 0.210 685 L C 2.608 179.403 176.870 -0.125 0.000 1.081 685 L CA 1.524 56.213 54.840 -0.252 0.000 0.752 685 L CB -0.535 41.281 42.059 -0.406 0.000 0.896 685 L HN 0.413 nan 8.230 nan 0.000 0.433 686 Q N -0.025 119.717 119.800 -0.097 0.000 2.137 686 Q HA -0.069 4.271 4.340 -0.001 0.000 0.198 686 Q C 2.156 178.122 176.000 -0.056 0.000 0.960 686 Q CA 1.533 57.308 55.803 -0.047 0.000 0.847 686 Q CB -0.161 28.582 28.738 0.009 0.000 0.915 686 Q HN 0.384 nan 8.270 nan 0.000 0.448 687 A N 1.955 124.748 122.820 -0.044 0.000 1.882 687 A HA -0.229 4.090 4.320 -0.001 0.000 0.220 687 A C -0.320 177.180 177.584 -0.139 0.000 1.253 687 A CA 2.319 54.344 52.037 -0.021 0.000 0.664 687 A CB -2.157 16.896 19.000 0.089 0.000 0.838 687 A HN 0.549 nan 8.150 nan 0.000 0.460 688 P HA -0.084 nan 4.420 nan 0.000 0.217 688 P C 1.568 178.719 177.300 -0.249 0.000 1.150 688 P CA 1.712 64.379 63.100 -0.721 0.000 0.832 688 P CB -0.287 30.741 31.700 -1.121 0.000 0.787 689 V N 0.865 120.685 119.914 -0.157 0.000 2.407 689 V HA -0.210 3.910 4.120 -0.001 0.000 0.248 689 V C 2.199 178.259 176.094 -0.058 0.000 1.055 689 V CA 2.323 64.590 62.300 -0.056 0.000 1.049 689 V CB -1.549 30.253 31.823 -0.035 0.000 0.662 689 V HN 0.043 nan 8.190 nan 0.000 0.455 690 D N 0.186 120.555 120.400 -0.051 0.000 2.117 690 D HA -0.147 4.493 4.640 -0.001 0.000 0.197 690 D C 1.843 178.128 176.300 -0.025 0.000 0.987 690 D CA 1.277 55.260 54.000 -0.029 0.000 0.829 690 D CB -0.230 40.565 40.800 -0.008 0.000 0.961 690 D HN 0.425 nan 8.370 nan 0.000 0.460 691 D N -0.261 120.126 120.400 -0.022 0.000 2.312 691 D HA -0.033 4.607 4.640 -0.001 0.000 0.211 691 D C 1.729 178.013 176.300 -0.027 0.000 0.964 691 D CA 0.597 54.583 54.000 -0.022 0.000 0.877 691 D CB -0.092 40.699 40.800 -0.016 0.000 0.924 691 D HN 0.190 nan 8.370 nan 0.000 0.515 692 A N 0.477 123.283 122.820 -0.023 0.000 2.021 692 A HA -0.096 4.223 4.320 -0.001 0.000 0.216 692 A C 2.095 179.626 177.584 -0.089 0.000 1.163 692 A CA 0.643 52.678 52.037 -0.002 0.000 0.676 692 A CB -0.051 19.022 19.000 0.123 0.000 0.818 692 A HN -0.019 nan 8.150 nan 0.000 0.453 693 Q N 0.147 119.882 119.800 -0.109 0.000 2.119 693 Q HA -0.139 4.200 4.340 -0.001 0.000 0.201 693 Q C 1.732 177.677 176.000 -0.092 0.000 0.972 693 Q CA 1.506 57.218 55.803 -0.152 0.000 0.847 693 Q CB -0.249 28.448 28.738 -0.068 0.000 0.903 693 Q HN 0.801 nan 8.270 nan 0.000 0.433 694 E N 0.471 120.666 120.200 -0.009 0.000 2.051 694 E HA -0.131 4.219 4.350 -0.001 0.000 0.192 694 E C 2.069 178.678 176.600 0.014 0.000 0.991 694 E CA 0.618 57.046 56.400 0.048 0.000 0.799 694 E CB -0.100 29.615 29.700 0.025 0.000 0.748 694 E HN 0.245 nan 8.360 nan 0.000 0.449 695 I N 0.737 121.288 120.570 -0.031 0.000 2.286 695 I HA -0.234 3.936 4.170 -0.001 0.000 0.248 695 I C 1.429 177.487 176.117 -0.098 0.000 1.115 695 I CA 0.596 61.871 61.300 -0.042 0.000 1.392 695 I CB 0.205 38.184 38.000 -0.035 0.000 1.065 695 I HN 0.096 nan 8.210 nan 0.000 0.418 696 L N 0.539 121.647 121.223 -0.192 0.000 2.737 696 L HA -0.106 4.234 4.340 -0.001 0.000 0.246 696 L C 1.293 177.894 176.870 -0.449 0.000 1.153 696 L CA 1.325 55.975 54.840 -0.317 0.000 0.920 696 L CB -1.258 40.559 42.059 -0.405 0.000 1.090 696 L HN 0.327 nan 8.230 nan 0.000 0.430 697 H N -3.530 115.520 119.070 -0.033 0.000 2.006 697 H HA 0.158 4.713 4.556 -0.001 0.000 0.189 697 H C 2.131 177.462 175.328 0.005 0.000 0.887 697 H CA 0.955 56.995 56.048 -0.014 0.000 0.958 697 H CB -0.160 29.593 29.762 -0.015 0.000 1.163 697 H HN 0.264 nan 8.280 nan 0.000 0.364 698 S N 1.640 117.419 115.700 0.131 0.000 2.359 698 S HA -0.135 4.335 4.470 -0.001 0.000 0.224 698 S C 1.486 176.134 174.600 0.080 0.000 1.035 698 S CA 0.528 58.780 58.200 0.086 0.000 1.018 698 S CB -0.094 63.143 63.200 0.061 0.000 0.876 698 S HN 0.210 nan 8.310 nan 0.000 0.448 699 R N 0.426 120.948 120.500 0.037 0.000 2.537 699 R HA 0.192 4.532 4.340 -0.001 0.000 0.280 699 R C 0.963 177.308 176.300 0.076 0.000 1.058 699 R CA -0.210 55.905 56.100 0.025 0.000 1.057 699 R CB 0.132 30.337 30.300 -0.159 0.000 0.973 699 R HN 0.316 nan 8.270 nan 0.000 0.438 700 F N 6.658 126.612 119.950 0.006 0.000 1.990 700 F HA 0.188 4.715 4.527 -0.001 0.000 0.293 700 F C -1.454 174.325 175.800 -0.035 0.000 1.216 700 F CA -0.076 57.915 58.000 -0.015 0.000 1.155 700 F CB -0.881 38.110 39.000 -0.015 0.000 0.979 700 F HN 0.483 nan 8.300 nan 0.000 0.487 701 P HA -0.044 nan 4.420 nan 0.000 0.259 701 P C -0.214 176.843 177.300 -0.405 0.000 1.211 701 P CA 0.458 63.095 63.100 -0.772 0.000 0.810 701 P CB -0.303 31.090 31.700 -0.512 0.000 0.815 702 M N 7.188 126.612 119.600 -0.293 0.000 2.303 702 M HA 0.112 4.592 4.480 -0.001 0.000 0.350 702 M C -1.951 174.251 176.300 -0.163 0.000 1.518 702 M CA -1.502 53.685 55.300 -0.189 0.000 1.070 702 M CB 0.294 32.825 32.600 -0.115 0.000 1.910 702 M HN 0.170 nan 8.290 nan 0.000 0.458 703 P HA 0.032 nan 4.420 nan 0.000 0.272 703 P C -1.228 176.050 177.300 -0.036 0.000 1.223 703 P CA -0.080 62.944 63.100 -0.126 0.000 0.784 703 P CB 0.467 32.055 31.700 -0.188 0.000 0.923 704 R N 1.950 122.454 120.500 0.008 0.000 2.543 704 R HA 0.154 4.493 4.340 -0.001 0.000 0.277 704 R C -0.915 175.402 176.300 0.028 0.000 1.074 704 R CA -0.282 55.825 56.100 0.011 0.000 1.076 704 R CB 0.063 30.364 30.300 0.001 0.000 0.993 704 R HN 0.488 nan 8.270 nan 0.000 0.459 705 Y N 4.238 124.473 120.300 -0.108 0.000 2.457 705 Y HA 0.552 5.102 4.550 -0.001 0.000 0.333 705 Y C -0.611 175.200 175.900 -0.147 0.000 1.119 705 Y CA -0.768 57.262 58.100 -0.117 0.000 1.143 705 Y CB 1.147 39.543 38.460 -0.108 0.000 1.230 705 Y HN 0.478 nan 8.280 nan 0.000 0.469 706 I N 4.694 124.746 120.570 -0.863 0.000 2.644 706 I HA 0.176 4.346 4.170 -0.001 0.000 0.291 706 I C -1.733 173.923 176.117 -0.769 0.000 1.180 706 I CA -0.753 60.163 61.300 -0.639 0.000 1.040 706 I CB 2.064 39.763 38.000 -0.502 0.000 1.255 706 I HN 0.534 nan 8.210 nan 0.000 0.422 707 D N 4.712 124.846 120.400 -0.442 0.000 2.453 707 D HA 0.396 5.035 4.640 -0.001 0.000 0.238 707 D C -0.792 175.414 176.300 -0.158 0.000 1.088 707 D CA 0.175 54.001 54.000 -0.290 0.000 0.854 707 D CB 1.776 42.536 40.800 -0.067 0.000 1.076 707 D HN 0.476 nan 8.370 nan 0.000 0.533 708 T N 1.898 116.362 114.554 -0.149 0.000 2.773 708 T HA 0.698 5.047 4.350 -0.001 0.000 0.278 708 T C -1.174 173.467 174.700 -0.098 0.000 1.011 708 T CA -0.431 61.641 62.100 -0.048 0.000 1.014 708 T CB 1.481 70.379 68.868 0.051 0.000 1.293 708 T HN 0.556 nan 8.240 nan 0.000 0.554 709 E N -0.036 120.107 120.200 -0.096 0.000 2.439 709 E HA 0.290 4.639 4.350 -0.001 0.000 0.279 709 E C -1.403 175.054 176.600 -0.239 0.000 1.077 709 E CA -0.948 55.270 56.400 -0.303 0.000 0.849 709 E CB 0.351 30.023 29.700 -0.045 0.000 1.408 709 E HN 0.698 nan 8.360 nan 0.000 0.457 710 H N 0.062 118.887 119.070 -0.409 0.000 3.195 710 H HA 0.176 4.732 4.556 -0.001 0.000 0.302 710 H C 1.225 176.568 175.328 0.025 0.000 0.950 710 H CA 2.662 58.672 56.048 -0.063 0.000 1.398 710 H CB 0.125 29.852 29.762 -0.057 0.000 1.377 710 H HN 0.924 nan 8.280 nan 0.000 0.572 711 G N 3.232 111.830 108.800 -0.336 0.000 2.225 711 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.267 711 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.267 711 G C 0.577 175.444 174.900 -0.054 0.000 1.024 711 G CA 0.430 45.395 45.100 -0.226 0.000 0.784 711 G HN 1.010 nan 8.290 nan 0.000 0.507 712 G N -0.711 108.094 108.800 0.009 0.000 2.476 712 G HA2 0.611 4.570 3.960 -0.001 0.000 0.286 712 G HA3 0.611 4.570 3.960 -0.001 0.000 0.286 712 G C 1.209 176.140 174.900 0.052 0.000 1.177 712 G CA 0.753 45.874 45.100 0.036 0.000 0.870 712 G HN 1.281 nan 8.290 nan 0.000 0.528 713 S N -0.137 115.592 115.700 0.049 0.000 2.440 713 S HA -0.145 4.325 4.470 -0.001 0.000 0.238 713 S C 1.423 176.088 174.600 0.108 0.000 1.010 713 S CA 1.366 59.603 58.200 0.061 0.000 0.972 713 S CB -0.093 63.138 63.200 0.051 0.000 0.774 713 S HN 0.644 nan 8.310 nan 0.000 0.501 714 Q N -0.177 119.699 119.800 0.126 0.000 2.172 714 Q HA 0.495 4.835 4.340 -0.001 0.000 0.217 714 Q C 1.764 177.922 176.000 0.263 0.000 0.832 714 Q CA 0.243 56.184 55.803 0.230 0.000 1.010 714 Q CB 0.424 29.216 28.738 0.089 0.000 1.133 714 Q HN 0.671 nan 8.270 nan 0.000 0.489 715 A N 1.964 124.901 122.820 0.196 0.000 1.972 715 A HA -0.251 4.069 4.320 -0.001 0.000 0.219 715 A C 2.143 179.802 177.584 0.126 0.000 1.169 715 A CA 1.450 53.611 52.037 0.206 0.000 0.635 715 A CB -0.439 18.684 19.000 0.204 0.000 0.810 715 A HN 0.487 nan 8.150 nan 0.000 0.446 716 R N -1.295 119.271 120.500 0.109 0.000 2.134 716 R HA -0.244 4.096 4.340 -0.001 0.000 0.248 716 R C 1.652 177.929 176.300 -0.038 0.000 1.143 716 R CA 2.213 58.312 56.100 -0.001 0.000 0.957 716 R CB -1.174 29.085 30.300 -0.068 0.000 0.867 716 R HN 0.373 nan 8.270 nan 0.000 0.441 717 F N 0.861 120.798 119.950 -0.022 0.000 2.250 717 F HA -0.124 4.403 4.527 -0.001 0.000 0.301 717 F C 2.219 177.990 175.800 -0.049 0.000 1.077 717 F CA 1.307 59.289 58.000 -0.030 0.000 1.348 717 F CB -0.290 38.694 39.000 -0.027 0.000 1.040 717 F HN 0.113 nan 8.300 nan 0.000 0.509 718 L N -0.654 120.624 121.223 0.092 0.000 2.189 718 L HA 0.063 4.403 4.340 -0.001 0.000 0.199 718 L C 1.968 178.790 176.870 -0.080 0.000 1.074 718 L CA 1.341 56.161 54.840 -0.033 0.000 0.783 718 L CB -0.751 41.204 42.059 -0.173 0.000 0.955 718 L HN 0.020 nan 8.230 nan 0.000 0.460 719 L N 0.020 121.186 121.223 -0.095 0.000 1.990 719 L HA -0.244 4.096 4.340 -0.001 0.000 0.213 719 L C 2.828 179.666 176.870 -0.053 0.000 1.072 719 L CA 1.827 56.618 54.840 -0.082 0.000 0.755 719 L CB -1.136 40.884 42.059 -0.065 0.000 0.889 719 L HN 0.573 nan 8.230 nan 0.000 0.432 720 S N -0.312 115.351 115.700 -0.061 0.000 2.374 720 S HA -0.211 4.259 4.470 -0.001 0.000 0.227 720 S C 1.948 176.521 174.600 -0.044 0.000 1.037 720 S CA 1.056 59.217 58.200 -0.065 0.000 1.024 720 S CB -0.323 62.811 63.200 -0.110 0.000 0.861 720 S HN 0.291 nan 8.310 nan 0.000 0.456 721 K N 0.942 121.322 120.400 -0.034 0.000 2.439 721 K HA 0.270 4.590 4.320 -0.001 0.000 0.197 721 K C 0.607 177.218 176.600 0.019 0.000 1.041 721 K CA 0.156 56.435 56.287 -0.014 0.000 0.970 721 K CB -0.302 32.194 32.500 -0.007 0.000 0.773 721 K HN 0.375 nan 8.250 nan 0.000 0.479 742 I N 1.064 121.682 120.570 0.080 0.000 2.603 742 I HA 0.179 4.349 4.170 -0.001 0.000 0.300 742 I C 1.596 177.779 176.117 0.111 0.000 1.017 742 I CA -0.985 60.365 61.300 0.084 0.000 1.098 742 I CB 2.417 40.465 38.000 0.081 0.000 1.279 742 I HN 0.376 nan 8.210 nan 0.000 0.437 743 L N 3.747 125.004 121.223 0.058 0.000 2.351 743 L HA -0.077 4.263 4.340 -0.001 0.000 0.220 743 L C 0.665 177.564 176.870 0.048 0.000 1.127 743 L CA 2.028 56.828 54.840 -0.066 0.000 0.786 743 L CB -0.456 41.541 42.059 -0.105 0.000 0.914 743 L HN 0.908 nan 8.230 nan 0.000 0.443 744 T N -3.201 111.477 114.554 0.206 0.000 2.629 744 T HA 0.225 4.574 4.350 -0.001 0.000 0.269 744 T C -1.896 172.913 174.700 0.182 0.000 2.044 744 T CA -0.175 62.092 62.100 0.279 0.000 0.948 744 T CB 0.060 69.171 68.868 0.407 0.000 2.198 744 T HN 0.235 nan 8.240 nan 0.000 0.432 745 D N -0.694 119.803 120.400 0.160 0.000 2.801 745 D HA 0.377 5.016 4.640 -0.001 0.000 0.277 745 D C -0.796 175.549 176.300 0.075 0.000 1.125 745 D CA -0.323 53.732 54.000 0.092 0.000 1.102 745 D CB 1.319 42.161 40.800 0.071 0.000 1.400 745 D HN 0.439 nan 8.370 nan 0.000 0.601 746 D N 0.845 121.268 120.400 0.038 0.000 2.685 746 D HA 0.040 4.680 4.640 -0.001 0.000 0.230 746 D C -0.132 176.204 176.300 0.059 0.000 1.098 746 D CA 0.269 54.281 54.000 0.020 0.000 1.246 746 D CB -0.549 40.254 40.800 0.005 0.000 1.136 746 D HN 0.135 nan 8.370 nan 0.000 0.472 747 V N 0.574 120.556 119.914 0.112 0.000 3.815 747 V HA 0.398 4.518 4.120 -0.001 0.000 0.284 747 V C 0.768 176.974 176.094 0.187 0.000 1.266 747 V CA -0.843 61.539 62.300 0.136 0.000 0.923 747 V CB 1.143 33.061 31.823 0.158 0.000 1.267 747 V HN 0.412 nan 8.190 nan 0.000 0.461 748 S N -0.409 115.368 115.700 0.128 0.000 2.651 748 S HA 0.382 4.852 4.470 -0.001 0.000 0.291 748 S C 0.583 175.079 174.600 -0.173 0.000 1.141 748 S CA -0.340 57.887 58.200 0.044 0.000 1.027 748 S CB 1.313 64.512 63.200 -0.002 0.000 1.043 748 S HN 0.643 nan 8.310 nan 0.000 0.530 749 L N 1.089 121.909 121.223 -0.672 0.000 2.127 749 L HA -0.055 4.285 4.340 -0.001 0.000 0.211 749 L C 2.538 179.190 176.870 -0.363 0.000 1.089 749 L CA 2.213 56.367 54.840 -1.144 0.000 0.757 749 L CB -1.298 40.059 42.059 -1.170 0.000 0.899 749 L HN 0.977 nan 8.230 nan 0.000 0.434 750 Q N -0.564 119.115 119.800 -0.201 0.000 1.965 750 Q HA -0.138 4.202 4.340 -0.001 0.000 0.200 750 Q C 2.154 178.134 176.000 -0.033 0.000 0.981 750 Q CA 2.792 58.542 55.803 -0.088 0.000 0.834 750 Q CB -0.806 27.897 28.738 -0.058 0.000 0.900 750 Q HN 0.352 nan 8.270 nan 0.000 0.426 751 V N 0.958 120.873 119.914 0.001 0.000 2.278 751 V HA -0.283 3.837 4.120 -0.001 0.000 0.251 751 V C 2.180 178.327 176.094 0.088 0.000 1.062 751 V CA 2.199 64.526 62.300 0.045 0.000 1.038 751 V CB -0.974 30.894 31.823 0.074 0.000 0.646 751 V HN 0.459 nan 8.190 nan 0.000 0.447 752 F N -0.074 119.851 119.950 -0.041 0.000 2.091 752 F HA -0.242 4.284 4.527 -0.000 0.000 0.299 752 F C 2.388 178.151 175.800 -0.062 0.000 1.103 752 F CA 1.953 59.944 58.000 -0.015 0.000 1.228 752 F CB -0.240 38.759 39.000 -0.003 0.000 0.984 752 F HN 0.040 nan 8.300 nan 0.000 0.477 753 M N 0.065 119.611 119.600 -0.090 0.000 2.229 753 M HA -0.165 4.314 4.480 -0.001 0.000 0.264 753 M C 1.729 177.908 176.300 -0.202 0.000 1.063 753 M CA 1.270 56.457 55.300 -0.189 0.000 1.114 753 M CB -1.283 31.273 32.600 -0.073 0.000 1.387 753 M HN 0.157 nan 8.290 nan 0.000 0.420 754 D N -0.947 119.386 120.400 -0.112 0.000 2.077 754 D HA -0.172 4.468 4.640 -0.001 0.000 0.197 754 D C 1.891 178.145 176.300 -0.078 0.000 0.983 754 D CA 1.246 55.197 54.000 -0.081 0.000 0.841 754 D CB -0.667 40.113 40.800 -0.032 0.000 0.992 754 D HN 0.518 nan 8.370 nan 0.000 0.450 755 H N 0.086 119.052 119.070 -0.173 0.000 2.394 755 H HA -0.176 4.380 4.556 -0.001 0.000 0.297 755 H C 2.243 177.401 175.328 -0.282 0.000 1.113 755 H CA 0.894 56.833 56.048 -0.182 0.000 1.277 755 H CB 0.012 29.695 29.762 -0.133 0.000 1.370 755 H HN 0.009 nan 8.280 nan 0.000 0.506 756 L N 1.442 122.420 121.223 -0.407 0.000 1.976 756 L HA -0.151 4.188 4.340 -0.001 0.000 0.209 756 L C 2.288 178.849 176.870 -0.515 0.000 1.071 756 L CA 1.865 56.356 54.840 -0.581 0.000 0.746 756 L CB -0.660 40.961 42.059 -0.731 0.000 0.890 756 L HN 0.109 nan 8.230 nan 0.000 0.432 757 K N -0.104 120.007 120.400 -0.483 0.000 2.089 757 K HA -0.273 4.046 4.320 -0.001 0.000 0.210 757 K C 2.039 178.416 176.600 -0.373 0.000 1.048 757 K CA 2.353 58.324 56.287 -0.527 0.000 0.926 757 K CB -0.269 32.070 32.500 -0.268 0.000 0.714 757 K HN 0.578 nan 8.250 nan 0.000 0.448 758 K N 0.785 121.056 120.400 -0.214 0.000 2.103 758 K HA -0.092 4.228 4.320 -0.001 0.000 0.204 758 K C 1.907 178.425 176.600 -0.138 0.000 1.052 758 K CA 1.128 57.339 56.287 -0.127 0.000 0.945 758 K CB -0.162 32.306 32.500 -0.054 0.000 0.722 758 K HN 0.076 nan 8.250 nan 0.000 0.443 759 L N 0.841 121.966 121.223 -0.163 0.000 2.313 759 L HA 0.032 4.372 4.340 -0.001 0.000 0.214 759 L C 2.679 179.411 176.870 -0.231 0.000 1.119 759 L CA 0.723 55.472 54.840 -0.152 0.000 0.809 759 L CB -0.442 41.525 42.059 -0.153 0.000 0.933 759 L HN 0.355 nan 8.230 nan 0.000 0.449 760 A N 0.170 122.754 122.820 -0.392 0.000 2.014 760 A HA -0.093 4.227 4.320 -0.001 0.000 0.218 760 A C 2.158 179.437 177.584 -0.509 0.000 1.163 760 A CA 1.531 53.259 52.037 -0.516 0.000 0.652 760 A CB -0.451 17.995 19.000 -0.924 0.000 0.808 760 A HN 0.318 nan 8.150 nan 0.000 0.449 761 V N -1.857 117.833 119.914 -0.373 0.000 3.354 761 V HA 0.115 4.235 4.120 -0.001 0.000 0.258 761 V C 1.165 177.296 176.094 0.062 0.000 1.159 761 V CA 0.794 63.017 62.300 -0.129 0.000 1.125 761 V CB -1.077 30.746 31.823 0.000 0.000 0.774 761 V HN 0.548 nan 8.190 nan 0.000 0.464 762 S N 0.000 115.695 115.700 -0.009 0.000 2.498 762 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 762 S CA 0.000 58.212 58.200 0.019 0.000 1.107 762 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 762 S HN 0.000 nan 8.310 nan 0.000 0.517