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 2xym_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYSWTGAL ITPCSPEEEK LPINPLSNSL LRYHNKVYCT TSKSASQRAK DATA SEQUENCE KVTFDRTQVL DAHYDSVLKD IKLAASKVSA RLLTLEEACQ LTPPHSARSK DATA SEQUENCE YGFGAKEVRS LSGRAVNHIK SVWKDLLEDP QTPIPTTIMA KNEVFCVDPA DATA SEQUENCE KGGKKPARLI VYPDLGVRVC EKMALYDITQ KLPQAVMGAS YGFQYSPAQR DATA SEQUENCE VEYLLKAWAE KKDPMGFSYD TRCFDSTVTE RDIRTEESIY QACSLPEEAR DATA SEQUENCE TAIHSLTERL YVGGPMFNSK GQTCGYRRCR ASGVLTTSMG NTITCYVKAL DATA SEQUENCE AACKAAGIVA PTMLVCGDDL VVISESQGTE EDERNLRAFT EAMTRYSAPP DATA SEQUENCE GDPPRPEYDL ELITSCSSNV SVALGPRGRR RYYLARDPTT PLARAAWETV DATA SEQUENCE RHSPINSWLG NIIQYAPTIW VRMVLMTHFF SILMVQDTLD QNLNFEMYGS DATA SEQUENCE VYSVNPLDLP AIIERLHGLD AFSMHTYSHH ELTRVASALR KLGAPPLRVW DATA SEQUENCE KSRARAVRAS LISRGGKAAV CGRYLFNWAV KTKLKLTPLP EARLLDLSSW DATA SEQUENCE FTVGAGGGDI FHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.575 174.600 -0.042 0.000 1.055 1 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 1 S CB 0.000 63.169 63.200 -0.052 0.000 0.593 2 M N 3.021 122.590 119.600 -0.052 0.000 2.235 2 M HA 0.320 4.802 4.480 0.003 0.000 0.351 2 M C 1.893 178.095 176.300 -0.164 0.000 1.178 2 M CA -0.172 55.088 55.300 -0.066 0.000 1.143 2 M CB 0.906 33.493 32.600 -0.021 0.000 1.530 2 M HN 1.078 nan 8.290 nan 0.000 0.461 3 S N 2.530 118.068 115.700 -0.270 0.000 2.383 3 S HA -0.106 4.366 4.470 0.003 0.000 0.229 3 S C 0.113 174.315 174.600 -0.664 0.000 1.030 3 S CA 1.054 58.962 58.200 -0.486 0.000 1.002 3 S CB -0.224 62.595 63.200 -0.635 0.000 0.829 3 S HN 0.644 nan 8.310 nan 0.000 0.467 4 Y N 0.796 120.966 120.300 -0.216 0.000 2.534 4 Y HA 0.598 5.149 4.550 0.003 0.000 0.345 4 Y C -0.062 175.591 175.900 -0.411 0.000 1.031 4 Y CA -0.869 56.995 58.100 -0.393 0.000 1.022 4 Y CB 2.018 40.116 38.460 -0.604 0.000 1.292 4 Y HN 0.240 nan 8.280 nan 0.000 0.459 5 S N 0.036 115.528 115.700 -0.346 0.000 2.607 5 S HA 0.811 5.283 4.470 0.003 0.000 0.303 5 S C -1.595 172.672 174.600 -0.556 0.000 1.086 5 S CA -0.752 57.275 58.200 -0.289 0.000 0.995 5 S CB 1.474 64.609 63.200 -0.108 0.000 1.084 5 S HN 0.598 nan 8.310 nan 0.000 0.507 6 W N 0.025 121.351 121.300 0.043 0.000 2.936 6 W HA 0.473 5.135 4.660 0.004 0.000 0.338 6 W C 1.195 177.711 176.519 -0.004 0.000 1.121 6 W CA -0.465 56.885 57.345 0.009 0.000 1.209 6 W CB 2.118 31.575 29.460 -0.005 0.000 1.420 6 W HN 0.879 nan 8.180 nan 0.000 0.516 7 T N -2.262 112.430 114.554 0.229 0.000 3.051 7 T HA 0.320 4.672 4.350 0.003 0.000 0.255 7 T C 1.440 176.206 174.700 0.110 0.000 1.085 7 T CA 0.960 63.131 62.100 0.119 0.000 1.109 7 T CB 0.043 68.947 68.868 0.060 0.000 0.921 7 T HN 1.286 nan 8.240 nan 0.000 0.488 8 G N 1.261 110.141 108.800 0.132 0.000 2.238 8 G HA2 0.012 3.974 3.960 0.003 0.000 0.217 8 G HA3 0.012 3.974 3.960 0.003 0.000 0.217 8 G C 0.393 175.316 174.900 0.039 0.000 0.996 8 G CA -0.131 45.006 45.100 0.062 0.000 0.632 8 G HN 1.119 nan 8.290 nan 0.000 0.503 9 A N 0.754 123.610 122.820 0.058 0.000 2.483 9 A HA 0.622 4.944 4.320 0.003 0.000 0.238 9 A C 0.536 178.138 177.584 0.030 0.000 1.070 9 A CA 0.257 52.320 52.037 0.043 0.000 0.770 9 A CB 0.308 19.338 19.000 0.051 0.000 1.008 9 A HN 0.901 nan 8.150 nan 0.000 0.497 10 L N 1.385 122.616 121.223 0.013 0.000 2.436 10 L HA 0.251 4.593 4.340 0.003 0.000 0.265 10 L C 0.460 177.333 176.870 0.006 0.000 1.168 10 L CA 0.260 55.095 54.840 -0.008 0.000 0.815 10 L CB 0.564 42.619 42.059 -0.006 0.000 1.109 10 L HN 0.539 nan 8.230 nan 0.000 0.462 11 I N 2.062 122.621 120.570 -0.019 0.000 2.347 11 I HA 0.140 4.313 4.170 0.003 0.000 0.294 11 I C 0.251 176.375 176.117 0.012 0.000 1.090 11 I CA -0.208 61.094 61.300 0.004 0.000 1.314 11 I CB 0.180 38.167 38.000 -0.022 0.000 1.423 11 I HN 0.649 nan 8.210 nan 0.000 0.503 12 T N 4.802 119.373 114.554 0.028 0.000 2.895 12 T HA 0.550 4.902 4.350 0.003 0.000 0.283 12 T C -2.467 172.256 174.700 0.039 0.000 1.014 12 T CA -2.178 59.940 62.100 0.030 0.000 1.037 12 T CB 1.684 70.571 68.868 0.031 0.000 1.006 12 T HN 0.233 nan 8.240 nan 0.000 0.468 13 P HA 0.208 nan 4.420 nan 0.000 0.274 13 P C 0.802 178.128 177.300 0.044 0.000 1.231 13 P CA -0.669 62.458 63.100 0.045 0.000 0.790 13 P CB 0.565 32.291 31.700 0.044 0.000 0.951 14 C N -0.232 119.098 119.300 0.050 0.000 2.906 14 C HA 0.481 4.943 4.460 0.003 0.000 0.274 14 C C 0.494 175.508 174.990 0.040 0.000 1.257 14 C CA -0.140 58.905 59.018 0.045 0.000 1.695 14 C CB -1.581 26.192 27.740 0.055 0.000 1.958 14 C HN 0.661 nan 8.230 nan 0.000 0.619 15 S N -1.544 114.182 115.700 0.044 0.000 2.595 15 S HA 0.644 5.116 4.470 0.003 0.000 0.270 15 S C -3.452 171.179 174.600 0.051 0.000 1.145 15 S CA -0.768 57.458 58.200 0.044 0.000 0.825 15 S CB -0.076 63.151 63.200 0.046 0.000 1.107 15 S HN 0.061 nan 8.310 nan 0.000 0.461 16 P HA 0.286 nan 4.420 nan 0.000 0.265 16 P C -0.756 176.591 177.300 0.078 0.000 1.187 16 P CA 0.295 63.431 63.100 0.060 0.000 0.766 16 P CB 0.194 31.928 31.700 0.056 0.000 0.820 17 E N 1.583 121.834 120.200 0.085 0.000 2.238 17 E HA 0.270 4.622 4.350 0.003 0.000 0.267 17 E C -0.510 176.175 176.600 0.142 0.000 0.887 17 E CA -0.803 55.664 56.400 0.111 0.000 0.769 17 E CB 1.678 31.433 29.700 0.091 0.000 1.187 17 E HN 0.473 nan 8.360 nan 0.000 0.416 18 E N 2.060 122.389 120.200 0.216 0.000 2.210 18 E HA 0.281 4.633 4.350 0.003 0.000 0.266 18 E C -0.302 176.521 176.600 0.372 0.000 0.883 18 E CA -0.480 56.085 56.400 0.275 0.000 0.761 18 E CB 1.960 31.840 29.700 0.298 0.000 1.156 18 E HN 0.459 nan 8.360 nan 0.000 0.412 19 E N 1.637 122.021 120.200 0.307 0.000 2.251 19 E HA 0.039 4.392 4.350 0.003 0.000 0.194 19 E C -0.240 176.623 176.600 0.437 0.000 0.964 19 E CA 0.444 57.033 56.400 0.314 0.000 0.868 19 E CB 0.424 30.250 29.700 0.210 0.000 0.828 19 E HN 0.324 nan 8.360 nan 0.000 0.481 20 K N 1.414 122.045 120.400 0.385 0.000 2.182 20 K HA 0.277 4.599 4.320 0.003 0.000 0.262 20 K C -0.706 176.046 176.600 0.252 0.000 0.957 20 K CA -0.890 55.600 56.287 0.338 0.000 0.842 20 K CB 1.983 34.606 32.500 0.205 0.000 1.099 20 K HN -0.107 nan 8.250 nan 0.000 0.438 21 L N 4.860 126.258 121.223 0.292 0.000 2.562 21 L HA 0.120 4.462 4.340 0.003 0.000 0.271 21 L C -2.386 174.397 176.870 -0.145 0.000 1.167 21 L CA -1.144 53.688 54.840 -0.014 0.000 0.917 21 L CB -0.221 41.972 42.059 0.222 0.000 1.187 21 L HN 0.428 nan 8.230 nan 0.000 0.482 22 P HA 0.186 nan 4.420 nan 0.000 0.269 22 P C -0.550 176.597 177.300 -0.254 0.000 1.215 22 P CA -0.002 62.936 63.100 -0.270 0.000 0.780 22 P CB 0.495 32.012 31.700 -0.305 0.000 0.898 23 I N 2.305 122.711 120.570 -0.273 0.000 2.499 23 I HA 0.373 4.545 4.170 0.003 0.000 0.296 23 I C 0.622 176.646 176.117 -0.156 0.000 0.992 23 I CA -0.143 60.996 61.300 -0.269 0.000 1.297 23 I CB 0.652 38.446 38.000 -0.343 0.000 1.410 23 I HN 0.400 nan 8.210 nan 0.000 0.507 24 N N 6.190 124.825 118.700 -0.108 0.000 3.126 24 N HA 0.133 4.875 4.740 0.003 0.000 0.233 24 N C -2.657 172.827 175.510 -0.044 0.000 1.069 24 N CA -0.900 52.106 53.050 -0.073 0.000 1.071 24 N CB 2.446 40.886 38.487 -0.077 0.000 1.683 24 N HN 0.068 nan 8.380 nan 0.000 0.586 25 P HA -0.019 nan 4.420 nan 0.000 0.218 25 P C 1.611 178.904 177.300 -0.011 0.000 1.148 25 P CA 0.963 64.049 63.100 -0.024 0.000 0.822 25 P CB 0.460 32.144 31.700 -0.026 0.000 0.784 26 L N -0.569 120.647 121.223 -0.010 0.000 2.027 26 L HA -0.147 4.195 4.340 0.003 0.000 0.206 26 L C 2.565 179.478 176.870 0.073 0.000 1.074 26 L CA 2.164 57.012 54.840 0.013 0.000 0.745 26 L CB -1.290 40.757 42.059 -0.020 0.000 0.898 26 L HN 0.114 nan 8.230 nan 0.000 0.433 27 S N -0.986 114.734 115.700 0.033 0.000 2.406 27 S HA -0.191 4.281 4.470 0.003 0.000 0.228 27 S C 1.747 176.354 174.600 0.011 0.000 1.020 27 S CA 1.125 59.341 58.200 0.027 0.000 0.965 27 S CB -0.671 62.530 63.200 0.001 0.000 0.798 27 S HN 0.429 nan 8.310 nan 0.000 0.488 28 N N 1.788 120.493 118.700 0.009 0.000 2.289 28 N HA -0.125 4.617 4.740 0.003 0.000 0.184 28 N C 1.712 177.220 175.510 -0.003 0.000 1.016 28 N CA 1.475 54.533 53.050 0.013 0.000 0.872 28 N CB -0.196 38.296 38.487 0.008 0.000 0.973 28 N HN 0.696 nan 8.380 nan 0.000 0.433 29 S N -0.110 115.591 115.700 0.003 0.000 2.522 29 S HA -0.054 4.418 4.470 0.003 0.000 0.227 29 S C 1.801 176.401 174.600 0.000 0.000 0.986 29 S CA 0.107 58.295 58.200 -0.020 0.000 0.929 29 S CB 0.021 63.218 63.200 -0.004 0.000 0.769 29 S HN 0.242 nan 8.310 nan 0.000 0.529 30 L N 0.922 122.145 121.223 0.001 0.000 2.130 30 L HA 0.492 4.834 4.340 0.003 0.000 0.200 30 L C -0.057 176.849 176.870 0.060 0.000 1.075 30 L CA 1.036 55.879 54.840 0.005 0.000 0.768 30 L CB -0.223 41.580 42.059 -0.427 0.000 0.933 30 L HN 0.592 nan 8.230 nan 0.000 0.451 31 L N -4.100 117.121 121.223 -0.003 0.000 2.513 31 L HA 0.528 4.870 4.340 0.003 0.000 0.261 31 L C 0.289 177.156 176.870 -0.005 0.000 0.945 31 L CA -0.455 54.374 54.840 -0.018 0.000 0.848 31 L CB 1.717 43.773 42.059 -0.005 0.000 1.334 31 L HN -0.082 nan 8.230 nan 0.000 0.407 32 R N 0.805 121.255 120.500 -0.083 0.000 2.189 32 R HA 0.210 4.553 4.340 0.003 0.000 0.203 32 R C -0.218 176.206 176.300 0.206 0.000 1.012 32 R CA 0.446 56.561 56.100 0.025 0.000 1.015 32 R CB 0.075 30.344 30.300 -0.052 0.000 0.938 32 R HN 0.548 nan 8.270 nan 0.000 0.472 33 Y N 2.286 122.599 120.300 0.021 0.000 2.735 33 Y HA 0.035 4.587 4.550 0.003 0.000 0.354 33 Y C 1.099 176.960 175.900 -0.066 0.000 1.288 33 Y CA -1.016 57.045 58.100 -0.065 0.000 1.836 33 Y CB -1.252 37.187 38.460 -0.035 0.000 1.920 33 Y HN 0.250 nan 8.280 nan 0.000 0.438 34 H N -2.208 116.981 119.070 0.199 0.000 2.491 34 H HA -0.061 4.497 4.556 0.003 0.000 0.290 34 H C 1.142 176.561 175.328 0.152 0.000 1.050 34 H CA 1.393 57.527 56.048 0.145 0.000 1.309 34 H CB 0.044 29.860 29.762 0.091 0.000 1.392 34 H HN 0.118 nan 8.280 nan 0.000 0.554 35 N N 0.807 119.391 118.700 -0.192 0.000 2.550 35 N HA -0.055 4.687 4.740 0.003 0.000 0.186 35 N C 0.904 176.462 175.510 0.080 0.000 1.110 35 N CA 0.582 53.631 53.050 -0.003 0.000 0.912 35 N CB 0.057 38.476 38.487 -0.113 0.000 0.968 35 N HN 0.558 nan 8.380 nan 0.000 0.448 36 K N 0.084 120.547 120.400 0.104 0.000 2.400 36 K HA 0.133 4.455 4.320 0.003 0.000 0.194 36 K C 0.055 176.806 176.600 0.252 0.000 1.033 36 K CA 0.187 56.568 56.287 0.157 0.000 1.021 36 K CB 0.829 33.416 32.500 0.145 0.000 0.808 36 K HN -0.081 nan 8.250 nan 0.000 0.505 37 V N 2.500 122.576 119.914 0.271 0.000 2.427 37 V HA 0.229 4.351 4.120 0.003 0.000 0.286 37 V C -0.644 175.690 176.094 0.401 0.000 1.034 37 V CA -0.836 61.639 62.300 0.292 0.000 0.893 37 V CB 0.418 32.411 31.823 0.283 0.000 0.982 37 V HN 0.168 nan 8.190 nan 0.000 0.452 38 Y N 2.663 123.092 120.300 0.215 0.000 2.581 38 Y HA 0.808 5.360 4.550 0.003 0.000 0.345 38 Y C -0.636 175.280 175.900 0.026 0.000 1.036 38 Y CA -1.489 56.726 58.100 0.192 0.000 1.042 38 Y CB 1.368 39.918 38.460 0.151 0.000 1.289 38 Y HN 0.589 nan 8.280 nan 0.000 0.471 39 C N 3.226 122.552 119.300 0.044 0.000 2.379 39 C HA 0.717 5.179 4.460 0.003 0.000 0.323 39 C C 0.384 175.430 174.990 0.093 0.000 1.262 39 C CA 0.074 58.939 59.018 -0.256 0.000 1.581 39 C CB 0.190 27.554 27.740 -0.627 0.000 2.221 39 C HN 1.075 nan 8.230 nan 0.000 0.497 40 T N 3.148 117.758 114.554 0.093 0.000 2.926 40 T HA 0.583 4.935 4.350 0.003 0.000 0.307 40 T C 0.172 174.922 174.700 0.084 0.000 1.059 40 T CA 0.208 62.411 62.100 0.171 0.000 1.122 40 T CB 0.995 69.985 68.868 0.203 0.000 0.972 40 T HN 1.063 nan 8.240 nan 0.000 0.545 41 T N -2.060 112.548 114.554 0.091 0.000 2.754 41 T HA 0.469 4.822 4.350 0.003 0.000 0.296 41 T C 1.334 176.066 174.700 0.053 0.000 1.205 41 T CA -0.228 61.912 62.100 0.068 0.000 1.009 41 T CB 1.048 69.963 68.868 0.078 0.000 1.368 41 T HN 0.761 nan 8.240 nan 0.000 0.509 42 S N -0.115 115.611 115.700 0.043 0.000 2.469 42 S HA -0.129 4.343 4.470 0.003 0.000 0.238 42 S C 1.763 176.370 174.600 0.013 0.000 0.998 42 S CA 1.150 59.365 58.200 0.026 0.000 0.957 42 S CB -0.720 62.497 63.200 0.027 0.000 0.764 42 S HN 0.809 nan 8.310 nan 0.000 0.514 43 K N 1.809 122.222 120.400 0.023 0.000 2.218 43 K HA -0.127 4.195 4.320 0.003 0.000 0.205 43 K C 1.580 178.177 176.600 -0.004 0.000 1.046 43 K CA 1.607 57.901 56.287 0.011 0.000 0.933 43 K CB -0.283 32.231 32.500 0.024 0.000 0.728 43 K HN 0.628 nan 8.250 nan 0.000 0.454 44 S N -1.516 114.185 115.700 0.002 0.000 2.568 44 S HA 0.296 4.768 4.470 0.003 0.000 0.232 44 S C 1.489 176.071 174.600 -0.030 0.000 0.975 44 S CA 0.024 58.217 58.200 -0.012 0.000 0.949 44 S CB 0.963 64.167 63.200 0.006 0.000 0.829 44 S HN 0.317 nan 8.310 nan 0.000 0.479 45 A N 2.248 125.045 122.820 -0.038 0.000 1.908 45 A HA -0.053 4.269 4.320 0.003 0.000 0.218 45 A C 2.383 179.883 177.584 -0.139 0.000 1.181 45 A CA 1.870 53.865 52.037 -0.069 0.000 0.627 45 A CB -1.364 17.597 19.000 -0.064 0.000 0.818 45 A HN 0.595 nan 8.150 nan 0.000 0.445 46 S N -1.010 114.600 115.700 -0.151 0.000 2.382 46 S HA -0.255 4.217 4.470 0.003 0.000 0.228 46 S C 2.222 176.713 174.600 -0.181 0.000 1.027 46 S CA 1.772 59.843 58.200 -0.214 0.000 0.991 46 S CB -0.355 62.744 63.200 -0.167 0.000 0.823 46 S HN 0.703 nan 8.310 nan 0.000 0.469 47 Q N 0.049 119.783 119.800 -0.110 0.000 2.084 47 Q HA -0.187 4.155 4.340 0.003 0.000 0.202 47 Q C 2.306 178.268 176.000 -0.064 0.000 0.978 47 Q CA 1.595 57.352 55.803 -0.076 0.000 0.844 47 Q CB -0.167 28.541 28.738 -0.049 0.000 0.898 47 Q HN 0.376 nan 8.270 nan 0.000 0.426 48 R N 0.409 120.873 120.500 -0.061 0.000 2.075 48 R HA -0.059 4.284 4.340 0.003 0.000 0.232 48 R C 2.010 178.278 176.300 -0.054 0.000 1.126 48 R CA 1.742 57.824 56.100 -0.029 0.000 0.963 48 R CB -0.956 29.339 30.300 -0.009 0.000 0.858 48 R HN 0.355 nan 8.270 nan 0.000 0.435 49 A N 0.958 123.671 122.820 -0.179 0.000 1.892 49 A HA -0.255 4.067 4.320 0.003 0.000 0.218 49 A C 2.024 179.513 177.584 -0.159 0.000 1.188 49 A CA 2.125 53.971 52.037 -0.319 0.000 0.631 49 A CB -0.542 17.948 19.000 -0.849 0.000 0.822 49 A HN 0.451 nan 8.150 nan 0.000 0.447 50 K N -0.560 119.753 120.400 -0.145 0.000 2.032 50 K HA -0.202 4.120 4.320 0.003 0.000 0.209 50 K C 2.228 178.886 176.600 0.096 0.000 1.048 50 K CA 1.831 58.103 56.287 -0.025 0.000 0.927 50 K CB -0.174 32.303 32.500 -0.038 0.000 0.712 50 K HN 0.537 nan 8.250 nan 0.000 0.441 51 K N 1.189 121.644 120.400 0.092 0.000 2.097 51 K HA -0.104 4.218 4.320 0.003 0.000 0.205 51 K C 1.739 178.529 176.600 0.317 0.000 1.050 51 K CA 1.305 57.689 56.287 0.162 0.000 0.938 51 K CB 0.186 32.752 32.500 0.109 0.000 0.718 51 K HN 0.149 nan 8.250 nan 0.000 0.442 52 V N -1.436 118.645 119.914 0.278 0.000 3.623 52 V HA 0.136 4.258 4.120 0.003 0.000 0.271 52 V C 0.067 176.314 176.094 0.255 0.000 1.248 52 V CA 0.076 62.578 62.300 0.336 0.000 1.156 52 V CB 0.103 32.097 31.823 0.284 0.000 0.870 52 V HN 0.010 nan 8.190 nan 0.000 0.453 53 T N 4.212 118.959 114.554 0.322 0.000 2.756 53 T HA 0.737 5.089 4.350 0.003 0.000 0.290 53 T C -0.763 174.098 174.700 0.268 0.000 0.985 53 T CA -0.044 62.225 62.100 0.282 0.000 0.955 53 T CB 0.459 69.608 68.868 0.469 0.000 0.930 53 T HN 0.622 nan 8.240 nan 0.000 0.451 54 F N -0.139 119.911 119.950 0.166 0.000 2.773 54 F HA 0.655 5.184 4.527 0.004 0.000 0.314 54 F C -1.056 174.779 175.800 0.059 0.000 1.160 54 F CA -1.687 56.372 58.000 0.098 0.000 0.920 54 F CB 0.570 39.617 39.000 0.078 0.000 1.323 54 F HN 0.219 nan 8.300 nan 0.000 0.457 55 D N 0.578 121.164 120.400 0.310 0.000 2.304 55 D HA 0.489 5.131 4.640 0.003 0.000 0.247 55 D C -0.903 175.534 176.300 0.228 0.000 1.089 55 D CA 0.044 54.147 54.000 0.172 0.000 0.910 55 D CB 0.909 41.778 40.800 0.116 0.000 1.199 55 D HN 0.580 nan 8.370 nan 0.000 0.426 56 R N 0.825 121.391 120.500 0.110 0.000 2.494 56 R HA 0.597 4.939 4.340 0.003 0.000 0.305 56 R C -0.567 175.762 176.300 0.048 0.000 0.959 56 R CA -0.725 55.436 56.100 0.101 0.000 0.864 56 R CB 1.909 32.237 30.300 0.046 0.000 1.159 56 R HN 0.456 nan 8.270 nan 0.000 0.446 57 T N -0.913 113.667 114.554 0.043 0.000 2.887 57 T HA 0.577 4.929 4.350 0.003 0.000 0.288 57 T C -0.700 174.005 174.700 0.009 0.000 1.021 57 T CA -0.947 61.163 62.100 0.016 0.000 1.000 57 T CB 2.025 70.901 68.868 0.012 0.000 1.034 57 T HN 0.470 nan 8.240 nan 0.000 0.467 58 Q N 1.587 121.383 119.800 -0.007 0.000 2.263 58 Q HA 0.596 4.938 4.340 0.003 0.000 0.266 58 Q C -2.130 173.856 176.000 -0.023 0.000 1.002 58 Q CA -0.775 55.021 55.803 -0.012 0.000 0.790 58 Q CB 2.132 30.849 28.738 -0.035 0.000 1.272 58 Q HN 0.696 nan 8.270 nan 0.000 0.435 59 V N 5.643 125.555 119.914 -0.004 0.000 2.376 59 V HA 0.434 4.556 4.120 0.003 0.000 0.287 59 V C -0.184 175.932 176.094 0.037 0.000 1.015 59 V CA -0.555 61.742 62.300 -0.005 0.000 0.834 59 V CB 1.302 33.121 31.823 -0.006 0.000 1.001 59 V HN 0.761 nan 8.190 nan 0.000 0.428 60 L N 4.284 125.483 121.223 -0.041 0.000 2.416 60 L HA 0.786 5.128 4.340 0.003 0.000 0.263 60 L C -0.134 176.757 176.870 0.035 0.000 1.065 60 L CA -0.443 54.348 54.840 -0.083 0.000 0.798 60 L CB 1.588 43.416 42.059 -0.385 0.000 1.267 60 L HN 0.837 nan 8.230 nan 0.000 0.467 61 D N -1.204 119.254 120.400 0.096 0.000 2.759 61 D HA 0.380 5.022 4.640 0.003 0.000 0.321 61 D C 0.186 176.506 176.300 0.033 0.000 1.267 61 D CA -0.230 53.811 54.000 0.069 0.000 0.933 61 D CB 1.002 41.865 40.800 0.106 0.000 1.431 61 D HN 0.397 nan 8.370 nan 0.000 0.504 62 A N -0.831 121.927 122.820 -0.104 0.000 1.972 62 A HA -0.185 4.138 4.320 0.003 0.000 0.219 62 A C 1.692 179.222 177.584 -0.091 0.000 1.169 62 A CA 1.369 53.330 52.037 -0.127 0.000 0.635 62 A CB -1.138 17.746 19.000 -0.193 0.000 0.810 62 A HN 0.628 nan 8.150 nan 0.000 0.446 63 H N -2.359 116.775 119.070 0.107 0.000 2.353 63 H HA -0.158 4.400 4.556 0.003 0.000 0.300 63 H C 1.993 177.351 175.328 0.051 0.000 1.090 63 H CA 1.873 57.975 56.048 0.089 0.000 1.327 63 H CB -0.748 29.096 29.762 0.138 0.000 1.383 63 H HN 0.708 nan 8.280 nan 0.000 0.508 64 Y N 2.392 122.708 120.300 0.027 0.000 2.163 64 Y HA -0.180 4.372 4.550 0.003 0.000 0.288 64 Y C 1.857 177.699 175.900 -0.097 0.000 1.136 64 Y CA 1.492 59.494 58.100 -0.163 0.000 1.147 64 Y CB -0.145 38.089 38.460 -0.377 0.000 0.987 64 Y HN 0.014 nan 8.280 nan 0.000 0.509 65 D N -0.603 119.892 120.400 0.158 0.000 2.149 65 D HA -0.167 4.475 4.640 0.003 0.000 0.198 65 D C 2.310 178.598 176.300 -0.020 0.000 0.990 65 D CA 1.693 55.739 54.000 0.077 0.000 0.839 65 D CB -0.302 40.542 40.800 0.074 0.000 0.948 65 D HN 0.339 nan 8.370 nan 0.000 0.460 66 S N -0.157 115.536 115.700 -0.011 0.000 2.368 66 S HA -0.072 4.400 4.470 0.003 0.000 0.224 66 S C 2.323 176.896 174.600 -0.045 0.000 1.029 66 S CA 0.378 58.571 58.200 -0.012 0.000 0.988 66 S CB -0.096 63.118 63.200 0.023 0.000 0.838 66 S HN 0.082 nan 8.310 nan 0.000 0.462 67 V N 1.907 121.766 119.914 -0.093 0.000 2.307 67 V HA -0.117 4.005 4.120 0.003 0.000 0.245 67 V C 2.253 178.257 176.094 -0.151 0.000 1.045 67 V CA 1.445 63.669 62.300 -0.127 0.000 1.024 67 V CB -0.609 31.093 31.823 -0.202 0.000 0.651 67 V HN 0.363 nan 8.190 nan 0.000 0.449 68 L N 0.544 121.611 121.223 -0.260 0.000 2.083 68 L HA -0.172 4.170 4.340 0.003 0.000 0.209 68 L C 2.417 179.231 176.870 -0.092 0.000 1.083 68 L CA 2.206 56.916 54.840 -0.217 0.000 0.752 68 L CB -0.833 41.050 42.059 -0.293 0.000 0.899 68 L HN 0.294 nan 8.230 nan 0.000 0.433 69 K N -0.766 119.595 120.400 -0.065 0.000 2.063 69 K HA -0.213 4.109 4.320 0.003 0.000 0.208 69 K C 1.715 178.305 176.600 -0.017 0.000 1.048 69 K CA 1.868 58.138 56.287 -0.029 0.000 0.928 69 K CB -0.176 32.315 32.500 -0.016 0.000 0.713 69 K HN 0.386 nan 8.250 nan 0.000 0.442 70 D N 0.751 121.142 120.400 -0.014 0.000 2.117 70 D HA -0.145 4.497 4.640 0.003 0.000 0.197 70 D C 1.980 178.287 176.300 0.012 0.000 0.987 70 D CA 1.145 55.148 54.000 0.006 0.000 0.829 70 D CB -0.152 40.659 40.800 0.019 0.000 0.961 70 D HN 0.298 nan 8.370 nan 0.000 0.460 71 I N 0.858 121.435 120.570 0.010 0.000 2.226 71 I HA -0.260 3.912 4.170 0.003 0.000 0.245 71 I C 2.272 178.389 176.117 0.001 0.000 1.100 71 I CA 1.200 62.511 61.300 0.019 0.000 1.374 71 I CB -0.045 37.970 38.000 0.026 0.000 1.057 71 I HN -0.062 nan 8.210 nan 0.000 0.413 72 K N 0.090 120.485 120.400 -0.008 0.000 2.097 72 K HA -0.175 4.147 4.320 0.003 0.000 0.205 72 K C 2.048 178.648 176.600 -0.001 0.000 1.050 72 K CA 1.051 57.335 56.287 -0.006 0.000 0.938 72 K CB -0.227 32.267 32.500 -0.010 0.000 0.718 72 K HN 0.124 nan 8.250 nan 0.000 0.442 73 L N 1.294 122.517 121.223 -0.000 0.000 2.012 73 L HA -0.160 4.182 4.340 0.003 0.000 0.210 73 L C 2.212 179.082 176.870 0.001 0.000 1.073 73 L CA 1.923 56.764 54.840 0.002 0.000 0.748 73 L CB -0.742 41.319 42.059 0.004 0.000 0.891 73 L HN 0.126 nan 8.230 nan 0.000 0.431 74 A N -0.594 122.227 122.820 0.001 0.000 1.933 74 A HA -0.112 4.210 4.320 0.003 0.000 0.218 74 A C 2.422 180.000 177.584 -0.011 0.000 1.175 74 A CA 1.797 53.831 52.037 -0.005 0.000 0.628 74 A CB -1.166 17.829 19.000 -0.008 0.000 0.814 74 A HN 0.588 nan 8.150 nan 0.000 0.444 75 A N 0.342 123.158 122.820 -0.007 0.000 2.015 75 A HA -0.050 4.272 4.320 0.003 0.000 0.219 75 A C 2.374 179.960 177.584 0.004 0.000 1.163 75 A CA 1.995 54.031 52.037 -0.002 0.000 0.646 75 A CB -0.897 18.110 19.000 0.012 0.000 0.806 75 A HN 1.048 nan 8.150 nan 0.000 0.448 76 S N -0.281 115.421 115.700 0.004 0.000 2.507 76 S HA -0.078 4.394 4.470 0.003 0.000 0.235 76 S C 1.358 175.960 174.600 0.002 0.000 0.988 76 S CA 1.297 59.501 58.200 0.006 0.000 0.944 76 S CB -0.294 62.908 63.200 0.005 0.000 0.762 76 S HN 0.618 nan 8.310 nan 0.000 0.526 77 K N 0.758 121.157 120.400 -0.003 0.000 2.404 77 K HA 0.282 4.604 4.320 0.003 0.000 0.194 77 K C -0.532 176.063 176.600 -0.009 0.000 1.023 77 K CA -0.092 56.192 56.287 -0.005 0.000 1.094 77 K CB 0.560 33.056 32.500 -0.007 0.000 0.841 77 K HN 0.237 nan 8.250 nan 0.000 0.523 78 V N 1.451 121.360 119.914 -0.009 0.000 2.481 78 V HA 0.173 4.295 4.120 0.003 0.000 0.286 78 V C -0.133 175.958 176.094 -0.005 0.000 1.042 78 V CA -0.557 61.735 62.300 -0.014 0.000 0.928 78 V CB 1.646 33.457 31.823 -0.020 0.000 0.986 78 V HN 0.023 nan 8.190 nan 0.000 0.462 79 S N 3.305 119.000 115.700 -0.008 0.000 2.519 79 S HA 0.864 5.336 4.470 0.003 0.000 0.309 79 S C -0.179 174.418 174.600 -0.005 0.000 1.100 79 S CA -0.468 57.732 58.200 -0.001 0.000 1.059 79 S CB 1.745 64.945 63.200 0.000 0.000 1.008 79 S HN 1.076 nan 8.310 nan 0.000 0.478 80 A N 3.021 125.842 122.820 0.002 0.000 2.454 80 A HA 0.898 5.220 4.320 0.003 0.000 0.302 80 A C -0.424 177.170 177.584 0.016 0.000 1.079 80 A CA -1.107 50.929 52.037 -0.000 0.000 0.731 80 A CB 1.384 20.377 19.000 -0.012 0.000 1.299 80 A HN 0.900 nan 8.150 nan 0.000 0.413 81 R N 0.844 121.355 120.500 0.019 0.000 2.892 81 R HA 0.814 5.156 4.340 0.003 0.000 0.265 81 R C -1.250 175.073 176.300 0.038 0.000 1.025 81 R CA -0.823 55.294 56.100 0.028 0.000 0.982 81 R CB 0.828 31.139 30.300 0.019 0.000 1.185 81 R HN 0.504 nan 8.270 nan 0.000 0.484 82 L N 1.433 122.680 121.223 0.039 0.000 2.439 82 L HA 0.161 4.503 4.340 0.003 0.000 0.269 82 L C -0.087 176.773 176.870 -0.016 0.000 1.179 82 L CA -0.717 54.137 54.840 0.023 0.000 0.828 82 L CB 0.407 42.472 42.059 0.010 0.000 1.106 82 L HN 0.418 nan 8.230 nan 0.000 0.467 83 L N 1.618 122.817 121.223 -0.041 0.000 2.375 83 L HA 0.273 4.615 4.340 0.003 0.000 0.271 83 L C 0.754 177.533 176.870 -0.153 0.000 1.107 83 L CA 0.169 54.968 54.840 -0.068 0.000 0.806 83 L CB 1.506 43.532 42.059 -0.054 0.000 1.146 83 L HN 0.711 nan 8.230 nan 0.000 0.447 84 T N 0.031 114.504 114.554 -0.135 0.000 2.813 84 T HA 0.144 4.496 4.350 0.003 0.000 0.297 84 T C 1.337 175.918 174.700 -0.198 0.000 1.036 84 T CA -0.329 61.670 62.100 -0.167 0.000 1.044 84 T CB 0.381 69.178 68.868 -0.117 0.000 0.993 84 T HN 0.618 nan 8.240 nan 0.000 0.535 85 L N 0.162 121.253 121.223 -0.220 0.000 2.042 85 L HA -0.076 4.266 4.340 0.003 0.000 0.210 85 L C 2.887 179.665 176.870 -0.154 0.000 1.076 85 L CA 2.073 56.788 54.840 -0.209 0.000 0.749 85 L CB -0.511 41.428 42.059 -0.200 0.000 0.893 85 L HN 1.012 nan 8.230 nan 0.000 0.432 86 E N -0.177 119.945 120.200 -0.130 0.000 2.077 86 E HA -0.283 4.069 4.350 0.003 0.000 0.193 86 E C 1.965 178.500 176.600 -0.109 0.000 0.989 86 E CA 1.736 58.072 56.400 -0.106 0.000 0.800 86 E CB -0.041 29.607 29.700 -0.087 0.000 0.746 86 E HN 0.605 nan 8.360 nan 0.000 0.452 87 E N 0.018 120.149 120.200 -0.115 0.000 2.051 87 E HA -0.197 4.155 4.350 0.003 0.000 0.192 87 E C 2.077 178.577 176.600 -0.165 0.000 0.991 87 E CA 0.953 57.278 56.400 -0.125 0.000 0.799 87 E CB -0.170 29.465 29.700 -0.109 0.000 0.748 87 E HN 0.374 nan 8.360 nan 0.000 0.449 88 A N 0.711 123.433 122.820 -0.164 0.000 1.933 88 A HA -0.176 4.146 4.320 0.003 0.000 0.218 88 A C 2.385 179.881 177.584 -0.146 0.000 1.175 88 A CA 1.053 52.987 52.037 -0.170 0.000 0.628 88 A CB -0.763 18.150 19.000 -0.144 0.000 0.814 88 A HN 0.351 nan 8.150 nan 0.000 0.444 89 C N -0.954 118.272 119.300 -0.125 0.000 2.429 89 C HA -0.084 4.378 4.460 0.003 0.000 0.277 89 C C 2.740 177.668 174.990 -0.104 0.000 1.262 89 C CA 1.057 60.014 59.018 -0.101 0.000 1.733 89 C CB -0.999 26.683 27.740 -0.096 0.000 2.010 89 C HN 0.581 nan 8.230 nan 0.000 0.483 90 Q N 0.252 119.986 119.800 -0.110 0.000 2.364 90 Q HA 0.044 4.386 4.340 0.003 0.000 0.207 90 Q C 1.852 177.790 176.000 -0.104 0.000 0.970 90 Q CA 0.980 56.730 55.803 -0.088 0.000 0.888 90 Q CB -0.275 28.414 28.738 -0.082 0.000 0.951 90 Q HN 0.692 nan 8.270 nan 0.000 0.469 91 L N 0.203 121.312 121.223 -0.190 0.000 2.591 91 L HA 0.042 4.384 4.340 0.003 0.000 0.228 91 L C 0.389 177.164 176.870 -0.158 0.000 1.133 91 L CA 0.106 54.783 54.840 -0.272 0.000 0.880 91 L CB 0.221 42.016 42.059 -0.439 0.000 1.033 91 L HN -0.094 nan 8.230 nan 0.000 0.450 92 T N 1.822 116.305 114.554 -0.118 0.000 2.761 92 T HA 0.219 4.571 4.350 0.003 0.000 0.296 92 T C -2.314 172.266 174.700 -0.200 0.000 0.934 92 T CA -1.143 60.887 62.100 -0.117 0.000 1.091 92 T CB 1.024 69.837 68.868 -0.091 0.000 0.896 92 T HN -0.135 nan 8.240 nan 0.000 0.515 93 P HA 0.151 nan 4.420 nan 0.000 0.268 93 P C -1.853 175.184 177.300 -0.438 0.000 1.205 93 P CA -1.443 61.401 63.100 -0.426 0.000 0.771 93 P CB 0.183 31.771 31.700 -0.186 0.000 0.858 94 P HA -0.187 nan 4.420 nan 0.000 0.217 94 P C 0.324 177.383 177.300 -0.403 0.000 1.151 94 P CA 1.845 64.675 63.100 -0.450 0.000 0.849 94 P CB -0.177 31.294 31.700 -0.381 0.000 0.787 95 H N -2.836 116.111 119.070 -0.206 0.000 2.486 95 H HA 0.290 4.848 4.556 0.003 0.000 0.284 95 H C 0.358 175.607 175.328 -0.132 0.000 1.103 95 H CA -0.417 55.548 56.048 -0.137 0.000 1.089 95 H CB -0.328 29.367 29.762 -0.112 0.000 1.603 95 H HN -0.050 nan 8.280 nan 0.000 0.557 96 S N 1.386 117.043 115.700 -0.071 0.000 2.561 96 S HA 0.156 4.628 4.470 0.003 0.000 0.294 96 S C 0.804 175.353 174.600 -0.086 0.000 1.294 96 S CA -0.274 57.872 58.200 -0.090 0.000 1.055 96 S CB 0.067 63.211 63.200 -0.094 0.000 0.819 96 S HN 0.571 nan 8.310 nan 0.000 0.503 97 A N 5.342 128.089 122.820 -0.122 0.000 2.561 97 A HA 0.198 4.520 4.320 0.003 0.000 0.251 97 A C 0.739 178.281 177.584 -0.070 0.000 1.062 97 A CA 0.017 51.995 52.037 -0.098 0.000 0.761 97 A CB -0.232 18.669 19.000 -0.164 0.000 0.986 97 A HN 0.921 nan 8.150 nan 0.000 0.510 98 R N 2.593 123.047 120.500 -0.077 0.000 2.784 98 R HA 0.325 4.667 4.340 0.003 0.000 0.266 98 R C 0.402 176.581 176.300 -0.202 0.000 1.044 98 R CA 0.301 56.316 56.100 -0.142 0.000 1.151 98 R CB 0.280 30.502 30.300 -0.130 0.000 1.037 98 R HN 0.520 nan 8.270 nan 0.000 0.478 99 S N 0.032 115.474 115.700 -0.431 0.000 2.592 99 S HA 0.077 4.550 4.470 0.003 0.000 0.271 99 S C 0.712 175.080 174.600 -0.386 0.000 1.326 99 S CA -0.734 57.169 58.200 -0.496 0.000 1.024 99 S CB 0.827 63.330 63.200 -1.163 0.000 0.921 99 S HN 0.657 nan 8.310 nan 0.000 0.527 100 K N 2.600 122.798 120.400 -0.338 0.000 2.439 100 K HA -0.007 4.316 4.320 0.003 0.000 0.197 100 K C 0.210 176.498 176.600 -0.520 0.000 1.041 100 K CA 1.025 57.053 56.287 -0.432 0.000 0.970 100 K CB -0.327 31.847 32.500 -0.544 0.000 0.773 100 K HN 0.703 nan 8.250 nan 0.000 0.479 101 Y N 0.331 120.423 120.300 -0.347 0.000 2.583 101 Y HA 0.250 4.801 4.550 0.002 0.000 0.294 101 Y C 1.002 176.805 175.900 -0.161 0.000 1.170 101 Y CA -0.057 57.871 58.100 -0.287 0.000 1.265 101 Y CB 0.250 38.393 38.460 -0.528 0.000 1.119 101 Y HN 0.199 nan 8.280 nan 0.000 0.522 102 G N 0.855 109.597 108.800 -0.096 0.000 2.248 102 G HA2 -0.238 3.725 3.960 0.003 0.000 0.252 102 G HA3 -0.238 3.725 3.960 0.003 0.000 0.252 102 G C -0.442 174.547 174.900 0.148 0.000 1.085 102 G CA 0.134 45.242 45.100 0.013 0.000 0.845 102 G HN 0.457 nan 8.290 nan 0.000 0.494 103 F N -2.646 117.283 119.950 -0.035 0.000 2.741 103 F HA 0.810 5.338 4.527 0.003 0.000 0.311 103 F C 0.242 176.023 175.800 -0.032 0.000 1.149 103 F CA -0.809 57.172 58.000 -0.031 0.000 0.930 103 F CB 0.468 39.454 39.000 -0.025 0.000 1.312 103 F HN 0.598 nan 8.300 nan 0.000 0.450 104 G N -0.160 108.713 108.800 0.123 0.000 3.211 104 G HA2 0.588 4.550 3.960 0.003 0.000 0.262 104 G HA3 0.588 4.550 3.960 0.003 0.000 0.262 104 G C 0.262 175.219 174.900 0.095 0.000 1.352 104 G CA -0.595 44.508 45.100 0.006 0.000 1.004 104 G HN 1.213 nan 8.290 nan 0.000 0.559 105 A N -0.475 122.337 122.820 -0.013 0.000 1.940 105 A HA -0.045 4.277 4.320 0.003 0.000 0.219 105 A C 2.126 179.670 177.584 -0.066 0.000 1.176 105 A CA 2.298 54.307 52.037 -0.048 0.000 0.631 105 A CB -0.500 18.419 19.000 -0.136 0.000 0.814 105 A HN 0.599 nan 8.150 nan 0.000 0.446 106 K N -0.402 119.950 120.400 -0.080 0.000 2.063 106 K HA -0.222 4.100 4.320 0.003 0.000 0.208 106 K C 1.790 178.368 176.600 -0.037 0.000 1.048 106 K CA 1.852 58.090 56.287 -0.082 0.000 0.928 106 K CB -0.124 32.328 32.500 -0.080 0.000 0.713 106 K HN 0.427 nan 8.250 nan 0.000 0.442 107 E N 0.166 120.376 120.200 0.016 0.000 2.107 107 E HA -0.109 4.243 4.350 0.003 0.000 0.191 107 E C 1.909 178.495 176.600 -0.023 0.000 0.982 107 E CA 0.924 57.334 56.400 0.017 0.000 0.809 107 E CB -0.060 29.688 29.700 0.081 0.000 0.756 107 E HN 0.063 nan 8.360 nan 0.000 0.459 108 V N 0.965 120.892 119.914 0.020 0.000 2.287 108 V HA -0.287 3.835 4.120 0.003 0.000 0.248 108 V C 2.145 178.202 176.094 -0.061 0.000 1.053 108 V CA 2.030 64.314 62.300 -0.026 0.000 1.027 108 V CB -0.398 31.451 31.823 0.043 0.000 0.646 108 V HN 0.205 nan 8.190 nan 0.000 0.447 109 R N 0.691 121.151 120.500 -0.066 0.000 2.115 109 R HA -0.087 4.255 4.340 0.003 0.000 0.230 109 R C 2.261 178.521 176.300 -0.066 0.000 1.111 109 R CA 1.561 57.613 56.100 -0.080 0.000 0.976 109 R CB -0.363 29.870 30.300 -0.111 0.000 0.870 109 R HN 0.682 nan 8.270 nan 0.000 0.445 110 S N 0.285 115.949 115.700 -0.061 0.000 2.575 110 S HA 0.127 4.599 4.470 0.003 0.000 0.215 110 S C 0.794 175.359 174.600 -0.058 0.000 0.966 110 S CA -0.308 57.860 58.200 -0.052 0.000 0.911 110 S CB -0.161 63.013 63.200 -0.044 0.000 0.780 110 S HN 0.313 nan 8.310 nan 0.000 0.514 111 L N 1.657 122.836 121.223 -0.073 0.000 3.660 111 L HA -0.194 4.148 4.340 0.003 0.000 0.440 111 L C 0.406 177.225 176.870 -0.085 0.000 1.262 111 L CA 0.349 55.135 54.840 -0.089 0.000 0.837 111 L CB -2.903 39.108 42.059 -0.080 0.000 1.689 111 L HN 0.664 nan 8.230 nan 0.000 0.890 112 S N -1.859 113.793 115.700 -0.081 0.000 2.745 112 S HA 0.947 5.419 4.470 0.003 0.000 0.306 112 S C 0.729 175.287 174.600 -0.070 0.000 1.137 112 S CA 0.083 58.245 58.200 -0.064 0.000 0.900 112 S CB 2.569 65.744 63.200 -0.041 0.000 1.176 112 S HN 1.352 nan 8.310 nan 0.000 0.520 113 G N 1.587 110.361 108.800 -0.043 0.000 2.582 113 G HA2 -0.296 3.666 3.960 0.003 0.000 0.288 113 G HA3 -0.296 3.666 3.960 0.003 0.000 0.288 113 G C 0.399 175.265 174.900 -0.056 0.000 1.247 113 G CA 0.408 45.493 45.100 -0.025 0.000 0.972 113 G HN 0.887 nan 8.290 nan 0.000 0.557 114 R N 0.954 121.432 120.500 -0.038 0.000 2.307 114 R HA 0.308 4.650 4.340 0.003 0.000 0.199 114 R C 2.936 179.064 176.300 -0.287 0.000 1.000 114 R CA 1.128 57.192 56.100 -0.061 0.000 1.023 114 R CB -0.338 30.014 30.300 0.086 0.000 0.908 114 R HN 0.616 nan 8.270 nan 0.000 0.473 115 A N 0.904 123.414 122.820 -0.517 0.000 1.865 115 A HA -0.137 4.185 4.320 0.003 0.000 0.217 115 A C 2.256 179.526 177.584 -0.524 0.000 1.191 115 A CA 1.446 52.883 52.037 -1.000 0.000 0.623 115 A CB -0.565 17.993 19.000 -0.738 0.000 0.826 115 A HN 0.097 nan 8.150 nan 0.000 0.444 116 V N 0.944 120.683 119.914 -0.292 0.000 2.261 116 V HA -0.275 3.847 4.120 0.003 0.000 0.246 116 V C 2.354 178.362 176.094 -0.144 0.000 1.047 116 V CA 2.240 64.427 62.300 -0.188 0.000 1.015 116 V CB -1.048 30.694 31.823 -0.135 0.000 0.642 116 V HN 0.550 nan 8.190 nan 0.000 0.446 117 N N -0.495 118.138 118.700 -0.113 0.000 2.166 117 N HA -0.192 4.550 4.740 0.003 0.000 0.186 117 N C 1.829 177.303 175.510 -0.059 0.000 1.019 117 N CA 1.831 54.840 53.050 -0.069 0.000 0.856 117 N CB -0.515 37.949 38.487 -0.038 0.000 0.993 117 N HN 0.727 nan 8.380 nan 0.000 0.426 118 H N 0.606 119.586 119.070 -0.150 0.000 2.326 118 H HA 0.115 4.673 4.556 0.003 0.000 0.301 118 H C 2.052 177.326 175.328 -0.091 0.000 1.081 118 H CA 1.438 57.419 56.048 -0.112 0.000 1.334 118 H CB -0.218 29.518 29.762 -0.044 0.000 1.385 118 H HN 0.122 nan 8.280 nan 0.000 0.504 119 I N 0.325 120.821 120.570 -0.124 0.000 2.226 119 I HA -0.243 3.929 4.170 0.003 0.000 0.245 119 I C 2.369 178.441 176.117 -0.074 0.000 1.100 119 I CA 1.281 62.528 61.300 -0.088 0.000 1.374 119 I CB -0.244 37.720 38.000 -0.059 0.000 1.057 119 I HN 0.247 nan 8.210 nan 0.000 0.413 120 K N 0.176 120.527 120.400 -0.081 0.000 2.074 120 K HA -0.216 4.106 4.320 0.003 0.000 0.209 120 K C 2.381 178.978 176.600 -0.005 0.000 1.048 120 K CA 1.858 58.129 56.287 -0.026 0.000 0.926 120 K CB -0.287 32.185 32.500 -0.046 0.000 0.713 120 K HN 0.203 nan 8.250 nan 0.000 0.444 121 S N 0.484 116.120 115.700 -0.107 0.000 2.368 121 S HA -0.100 4.372 4.470 0.003 0.000 0.224 121 S C 2.003 176.513 174.600 -0.151 0.000 1.029 121 S CA 1.030 59.150 58.200 -0.134 0.000 0.988 121 S CB -0.126 62.953 63.200 -0.202 0.000 0.838 121 S HN 0.085 nan 8.310 nan 0.000 0.462 122 V N 1.297 121.072 119.914 -0.231 0.000 2.343 122 V HA -0.154 3.968 4.120 0.003 0.000 0.247 122 V C 2.062 178.150 176.094 -0.009 0.000 1.051 122 V CA 1.851 64.056 62.300 -0.159 0.000 1.036 122 V CB -0.891 30.832 31.823 -0.166 0.000 0.654 122 V HN 0.718 nan 8.190 nan 0.000 0.451 123 W N 1.409 122.635 121.300 -0.123 0.000 2.355 123 W HA -0.228 4.435 4.660 0.004 0.000 0.309 123 W C 2.537 179.015 176.519 -0.068 0.000 1.206 123 W CA 2.261 59.559 57.345 -0.078 0.000 1.284 123 W CB -0.085 29.335 29.460 -0.066 0.000 1.145 123 W HN 0.254 nan 8.180 nan 0.000 0.502 124 K N 0.671 121.095 120.400 0.041 0.000 2.097 124 K HA -0.266 4.056 4.320 0.003 0.000 0.206 124 K C 1.708 178.232 176.600 -0.126 0.000 1.049 124 K CA 2.241 58.498 56.287 -0.050 0.000 0.933 124 K CB -0.606 31.897 32.500 0.005 0.000 0.717 124 K HN 0.028 nan 8.250 nan 0.000 0.442 125 D N 0.239 120.570 120.400 -0.116 0.000 2.144 125 D HA -0.131 4.511 4.640 0.003 0.000 0.200 125 D C 1.960 178.164 176.300 -0.159 0.000 0.978 125 D CA 0.861 54.791 54.000 -0.117 0.000 0.833 125 D CB 0.083 40.823 40.800 -0.101 0.000 0.961 125 D HN 0.232 nan 8.370 nan 0.000 0.470 126 L N -0.049 121.037 121.223 -0.228 0.000 2.083 126 L HA -0.125 4.217 4.340 0.003 0.000 0.209 126 L C 2.398 179.076 176.870 -0.321 0.000 1.083 126 L CA 0.668 55.331 54.840 -0.294 0.000 0.752 126 L CB -0.336 41.474 42.059 -0.415 0.000 0.899 126 L HN 0.231 nan 8.230 nan 0.000 0.433 127 L N -0.858 120.138 121.223 -0.379 0.000 2.156 127 L HA -0.149 4.193 4.340 0.003 0.000 0.208 127 L C 2.259 179.034 176.870 -0.159 0.000 1.095 127 L CA 1.115 55.779 54.840 -0.292 0.000 0.770 127 L CB -0.376 41.509 42.059 -0.291 0.000 0.914 127 L HN 0.305 nan 8.230 nan 0.000 0.439 128 E N -0.930 119.190 120.200 -0.133 0.000 2.250 128 E HA -0.058 4.294 4.350 0.003 0.000 0.192 128 E C 0.120 176.678 176.600 -0.069 0.000 0.986 128 E CA 0.233 56.584 56.400 -0.082 0.000 0.849 128 E CB 0.381 30.041 29.700 -0.066 0.000 0.797 128 E HN 0.176 nan 8.360 nan 0.000 0.482 129 D N 0.141 120.489 120.400 -0.086 0.000 2.505 129 D HA 0.106 4.748 4.640 0.003 0.000 0.250 129 D C -2.287 173.961 176.300 -0.086 0.000 1.164 129 D CA -2.346 51.613 54.000 -0.070 0.000 0.870 129 D CB 1.771 42.532 40.800 -0.064 0.000 1.160 129 D HN -0.173 nan 8.370 nan 0.000 0.549 130 P HA 0.122 nan 4.420 nan 0.000 0.272 130 P C 0.463 177.694 177.300 -0.116 0.000 1.408 130 P CA 0.195 63.234 63.100 -0.103 0.000 0.996 130 P CB 1.253 32.940 31.700 -0.021 0.000 1.481 131 Q N -0.114 119.642 119.800 -0.073 0.000 2.580 131 Q HA 0.155 4.497 4.340 0.003 0.000 0.239 131 Q C 0.312 176.290 176.000 -0.037 0.000 0.873 131 Q CA 1.069 56.843 55.803 -0.050 0.000 0.951 131 Q CB -0.371 28.352 28.738 -0.024 0.000 1.172 131 Q HN -0.106 nan 8.270 nan 0.000 0.616 132 T N 4.140 118.676 114.554 -0.030 0.000 2.817 132 T HA 0.210 4.562 4.350 0.003 0.000 0.295 132 T C -2.552 172.145 174.700 -0.006 0.000 0.958 132 T CA -0.858 61.237 62.100 -0.007 0.000 1.157 132 T CB 0.691 69.556 68.868 -0.004 0.000 0.898 132 T HN 0.133 nan 8.240 nan 0.000 0.536 133 P HA 0.139 nan 4.420 nan 0.000 0.265 133 P C -0.201 177.110 177.300 0.018 0.000 1.193 133 P CA -0.049 63.066 63.100 0.024 0.000 0.765 133 P CB 0.335 32.088 31.700 0.088 0.000 0.823 134 I N 5.827 126.391 120.570 -0.009 0.000 2.365 134 I HA 0.230 4.402 4.170 0.003 0.000 0.291 134 I C -1.687 174.449 176.117 0.032 0.000 1.004 134 I CA -2.321 58.984 61.300 0.007 0.000 1.311 134 I CB 1.185 39.176 38.000 -0.016 0.000 1.401 134 I HN 0.215 nan 8.210 nan 0.000 0.491 135 P HA 0.174 nan 4.420 nan 0.000 0.274 135 P C -0.716 176.630 177.300 0.076 0.000 1.231 135 P CA -0.175 63.001 63.100 0.126 0.000 0.790 135 P CB 0.899 32.609 31.700 0.018 0.000 0.951 136 T N -2.158 112.463 114.554 0.112 0.000 2.901 136 T HA 0.557 4.909 4.350 0.003 0.000 0.293 136 T C -0.428 174.259 174.700 -0.022 0.000 1.084 136 T CA -0.653 61.444 62.100 -0.005 0.000 1.008 136 T CB 1.090 69.940 68.868 -0.030 0.000 1.170 136 T HN 0.239 nan 8.240 nan 0.000 0.509 137 T N 1.755 116.135 114.554 -0.290 0.000 2.859 137 T HA 0.630 4.982 4.350 0.003 0.000 0.281 137 T C -0.533 173.973 174.700 -0.324 0.000 1.005 137 T CA -0.643 61.267 62.100 -0.317 0.000 1.025 137 T CB 0.971 69.516 68.868 -0.539 0.000 0.977 137 T HN 0.743 nan 8.240 nan 0.000 0.458 138 I N 3.672 124.180 120.570 -0.103 0.000 2.404 138 I HA 0.582 4.754 4.170 0.003 0.000 0.293 138 I C -1.112 175.031 176.117 0.044 0.000 0.992 138 I CA -0.845 60.451 61.300 -0.007 0.000 1.149 138 I CB 0.776 38.810 38.000 0.057 0.000 1.315 138 I HN 0.418 nan 8.210 nan 0.000 0.446 139 M N 6.260 125.924 119.600 0.106 0.000 2.550 139 M HA 0.467 4.949 4.480 0.003 0.000 0.292 139 M C -0.647 175.718 176.300 0.108 0.000 1.221 139 M CA -0.579 54.795 55.300 0.124 0.000 0.873 139 M CB 1.886 34.607 32.600 0.203 0.000 1.727 139 M HN 0.617 nan 8.290 nan 0.000 0.459 140 A N 2.464 125.331 122.820 0.079 0.000 2.362 140 A HA 0.443 4.765 4.320 0.003 0.000 0.276 140 A C -0.020 177.606 177.584 0.069 0.000 1.153 140 A CA -0.351 51.725 52.037 0.065 0.000 0.813 140 A CB 0.159 19.186 19.000 0.046 0.000 1.081 140 A HN 0.741 nan 8.150 nan 0.000 0.507 141 K N 2.098 122.540 120.400 0.070 0.000 2.270 141 K HA 0.106 4.428 4.320 0.003 0.000 0.276 141 K C -0.633 175.984 176.600 0.028 0.000 1.023 141 K CA 0.073 56.390 56.287 0.050 0.000 0.955 141 K CB 0.579 33.113 32.500 0.057 0.000 0.975 141 K HN 0.763 nan 8.250 nan 0.000 0.471 142 N N 2.729 121.421 118.700 -0.013 0.000 2.589 142 N HA 0.099 4.841 4.740 0.003 0.000 0.232 142 N C -1.205 174.205 175.510 -0.166 0.000 1.015 142 N CA -0.275 52.735 53.050 -0.067 0.000 0.931 142 N CB 0.894 39.344 38.487 -0.061 0.000 1.150 142 N HN 0.387 nan 8.380 nan 0.000 0.512 143 E N 0.870 120.958 120.200 -0.187 0.000 2.288 143 E HA 0.448 4.801 4.350 0.003 0.000 0.268 143 E C -0.911 175.324 176.600 -0.608 0.000 0.885 143 E CA -0.965 55.216 56.400 -0.365 0.000 0.767 143 E CB 2.539 32.079 29.700 -0.267 0.000 1.220 143 E HN 0.083 nan 8.360 nan 0.000 0.427 144 V N 3.193 122.595 119.914 -0.853 0.000 2.472 144 V HA 0.493 4.615 4.120 0.003 0.000 0.290 144 V C -0.791 174.650 176.094 -1.089 0.000 1.037 144 V CA -0.262 61.519 62.300 -0.865 0.000 0.908 144 V CB 0.311 31.713 31.823 -0.702 0.000 0.985 144 V HN 0.517 nan 8.190 nan 0.000 0.454 145 F N 2.060 121.629 119.950 -0.635 0.000 2.675 145 F HA 0.614 5.143 4.527 0.003 0.000 0.324 145 F C 0.027 175.592 175.800 -0.392 0.000 1.106 145 F CA -0.737 56.959 58.000 -0.507 0.000 0.970 145 F CB 1.346 40.026 39.000 -0.534 0.000 1.385 145 F HN 0.509 nan 8.300 nan 0.000 0.489 146 C N 2.714 122.079 119.300 0.109 0.000 2.355 146 C HA 0.780 5.242 4.460 0.003 0.000 0.332 146 C C -0.014 175.172 174.990 0.326 0.000 1.255 146 C CA -0.760 58.369 59.018 0.185 0.000 1.792 146 C CB -0.082 27.727 27.740 0.114 0.000 2.300 146 C HN 0.710 nan 8.230 nan 0.000 0.515 147 V N 3.761 123.902 119.914 0.379 0.000 2.788 147 V HA 0.239 4.361 4.120 0.003 0.000 0.307 147 V C 0.156 176.335 176.094 0.143 0.000 1.069 147 V CA 0.563 63.025 62.300 0.269 0.000 1.173 147 V CB 0.612 32.511 31.823 0.127 0.000 0.925 147 V HN 0.881 nan 8.190 nan 0.000 0.492 148 D N 5.090 125.543 120.400 0.088 0.000 2.458 148 D HA 0.424 5.066 4.640 0.003 0.000 0.258 148 D C -1.677 174.630 176.300 0.012 0.000 1.134 148 D CA -1.910 52.116 54.000 0.042 0.000 0.915 148 D CB 1.830 42.648 40.800 0.029 0.000 1.028 148 D HN 0.381 nan 8.370 nan 0.000 0.508 149 P HA -0.151 nan 4.420 nan 0.000 0.212 149 P C 0.383 177.676 177.300 -0.012 0.000 1.174 149 P CA 1.160 64.256 63.100 -0.007 0.000 0.934 149 P CB 0.198 31.895 31.700 -0.005 0.000 0.791 150 A N -0.963 121.853 122.820 -0.006 0.000 3.033 150 A HA 0.126 4.448 4.320 0.003 0.000 0.250 150 A C 0.894 178.472 177.584 -0.009 0.000 1.633 150 A CA 0.372 52.404 52.037 -0.008 0.000 1.290 150 A CB -1.339 17.658 19.000 -0.004 0.000 1.048 150 A HN 0.142 nan 8.150 nan 0.000 0.648 151 K N -0.662 119.730 120.400 -0.014 0.000 3.118 151 K HA 0.256 4.578 4.320 0.003 0.000 0.157 151 K C 0.642 177.225 176.600 -0.027 0.000 1.043 151 K CA 0.638 56.914 56.287 -0.018 0.000 1.073 151 K CB -0.325 32.167 32.500 -0.014 0.000 0.685 151 K HN 1.060 nan 8.250 nan 0.000 0.390 152 G N -0.110 108.671 108.800 -0.032 0.000 2.195 152 G HA2 -0.224 3.738 3.960 0.003 0.000 0.224 152 G HA3 -0.224 3.738 3.960 0.003 0.000 0.224 152 G C 0.728 175.592 174.900 -0.060 0.000 0.990 152 G CA 0.489 45.563 45.100 -0.043 0.000 0.639 152 G HN 0.999 nan 8.290 nan 0.000 0.514 153 G N 0.045 108.810 108.800 -0.060 0.000 3.127 153 G HA2 -0.216 3.746 3.960 0.003 0.000 0.280 153 G HA3 -0.216 3.746 3.960 0.003 0.000 0.280 153 G C 0.112 174.925 174.900 -0.145 0.000 1.491 153 G CA 0.896 45.939 45.100 -0.094 0.000 1.029 153 G HN 1.235 nan 8.290 nan 0.000 0.582 154 K N 1.512 121.769 120.400 -0.238 0.000 2.182 154 K HA 0.525 4.847 4.320 0.003 0.000 0.262 154 K C -0.201 176.316 176.600 -0.137 0.000 0.957 154 K CA -0.639 55.421 56.287 -0.377 0.000 0.842 154 K CB 1.802 33.876 32.500 -0.710 0.000 1.099 154 K HN 0.429 nan 8.250 nan 0.000 0.438 155 K N 3.042 123.433 120.400 -0.015 0.000 2.326 155 K HA 0.174 4.496 4.320 0.003 0.000 0.275 155 K C -2.333 174.276 176.600 0.016 0.000 1.018 155 K CA -1.664 54.586 56.287 -0.061 0.000 0.962 155 K CB 0.099 32.444 32.500 -0.258 0.000 0.953 155 K HN 0.285 nan 8.250 nan 0.000 0.475 156 P HA 0.014 nan 4.420 nan 0.000 0.272 156 P C -0.869 176.467 177.300 0.060 0.000 1.223 156 P CA -0.377 62.737 63.100 0.025 0.000 0.784 156 P CB 0.613 32.313 31.700 0.001 0.000 0.923 157 A N 3.058 125.923 122.820 0.076 0.000 2.520 157 A HA 0.072 4.394 4.320 0.003 0.000 0.235 157 A C 0.549 178.181 177.584 0.080 0.000 1.065 157 A CA 0.043 52.137 52.037 0.095 0.000 0.764 157 A CB -0.246 18.799 19.000 0.074 0.000 1.002 157 A HN 0.443 nan 8.150 nan 0.000 0.502 158 R N 0.436 120.999 120.500 0.104 0.000 2.615 158 R HA 0.420 4.762 4.340 0.003 0.000 0.270 158 R C -0.761 175.594 176.300 0.092 0.000 1.081 158 R CA -0.199 55.962 56.100 0.102 0.000 1.154 158 R CB 0.366 30.741 30.300 0.124 0.000 1.063 158 R HN 0.648 nan 8.270 nan 0.000 0.519 159 L N 2.551 123.831 121.223 0.096 0.000 2.317 159 L HA 0.488 4.830 4.340 0.003 0.000 0.281 159 L C -0.440 176.509 176.870 0.133 0.000 1.024 159 L CA -0.933 53.965 54.840 0.096 0.000 0.810 159 L CB 1.493 43.592 42.059 0.067 0.000 1.240 159 L HN 0.433 nan 8.230 nan 0.000 0.427 160 I N 3.020 123.684 120.570 0.156 0.000 2.465 160 I HA 0.506 4.678 4.170 0.003 0.000 0.291 160 I C -0.895 175.372 176.117 0.250 0.000 1.014 160 I CA -0.386 61.039 61.300 0.210 0.000 1.093 160 I CB 1.935 40.064 38.000 0.215 0.000 1.267 160 I HN 0.183 nan 8.210 nan 0.000 0.431 161 V N 9.147 129.207 119.914 0.244 0.000 2.407 161 V HA 0.539 4.661 4.120 0.003 0.000 0.291 161 V C -1.164 175.064 176.094 0.223 0.000 1.018 161 V CA -0.523 61.873 62.300 0.160 0.000 0.842 161 V CB 1.042 32.952 31.823 0.145 0.000 0.996 161 V HN 0.662 nan 8.190 nan 0.000 0.426 162 Y N 4.738 125.092 120.300 0.089 0.000 2.534 162 Y HA 0.914 5.467 4.550 0.004 0.000 0.345 162 Y C -3.134 172.816 175.900 0.083 0.000 1.031 162 Y CA -2.964 55.188 58.100 0.087 0.000 1.022 162 Y CB 1.925 40.429 38.460 0.073 0.000 1.292 162 Y HN 0.409 nan 8.280 nan 0.000 0.459 163 P HA 0.186 nan 4.420 nan 0.000 0.284 163 P C -0.983 176.453 177.300 0.227 0.000 1.292 163 P CA -0.268 62.922 63.100 0.150 0.000 0.800 163 P CB 1.444 33.228 31.700 0.139 0.000 1.188 164 D N -0.891 119.614 120.400 0.175 0.000 2.400 164 D HA -0.041 4.601 4.640 0.003 0.000 0.238 164 D C 1.366 177.785 176.300 0.198 0.000 1.157 164 D CA -0.285 53.829 54.000 0.190 0.000 0.889 164 D CB 0.286 41.228 40.800 0.237 0.000 1.199 164 D HN 0.095 nan 8.370 nan 0.000 0.436 165 L N 3.537 124.845 121.223 0.142 0.000 2.089 165 L HA -0.060 4.282 4.340 0.003 0.000 0.213 165 L C 2.016 179.033 176.870 0.245 0.000 1.079 165 L CA 2.604 57.526 54.840 0.136 0.000 0.758 165 L CB -1.090 40.986 42.059 0.028 0.000 0.891 165 L HN 0.662 nan 8.230 nan 0.000 0.433 166 G N -1.347 107.666 108.800 0.355 0.000 2.418 166 G HA2 -0.198 3.764 3.960 0.003 0.000 0.217 166 G HA3 -0.198 3.764 3.960 0.003 0.000 0.217 166 G C 1.514 176.564 174.900 0.250 0.000 1.158 166 G CA 1.062 46.428 45.100 0.442 0.000 0.771 166 G HN 0.367 nan 8.290 nan 0.000 0.545 167 V N 0.755 120.797 119.914 0.213 0.000 2.427 167 V HA -0.135 3.987 4.120 0.003 0.000 0.248 167 V C 2.892 179.082 176.094 0.162 0.000 1.051 167 V CA 1.758 64.153 62.300 0.157 0.000 1.048 167 V CB -0.451 31.450 31.823 0.130 0.000 0.666 167 V HN 0.327 nan 8.190 nan 0.000 0.456 168 R N -0.202 120.398 120.500 0.166 0.000 2.096 168 R HA -0.113 4.229 4.340 0.003 0.000 0.235 168 R C 2.216 178.588 176.300 0.120 0.000 1.127 168 R CA 1.379 57.566 56.100 0.145 0.000 0.968 168 R CB -0.591 29.782 30.300 0.122 0.000 0.861 168 R HN 0.430 nan 8.270 nan 0.000 0.440 169 V N 0.420 120.405 119.914 0.119 0.000 2.358 169 V HA -0.272 3.850 4.120 0.003 0.000 0.246 169 V C 2.499 178.639 176.094 0.077 0.000 1.047 169 V CA 1.494 63.836 62.300 0.071 0.000 1.035 169 V CB -0.466 31.392 31.823 0.059 0.000 0.658 169 V HN 0.435 nan 8.190 nan 0.000 0.452 170 C N -0.034 119.354 119.300 0.147 0.000 2.413 170 C HA -0.154 4.308 4.460 0.003 0.000 0.277 170 C C 2.666 177.832 174.990 0.294 0.000 1.265 170 C CA 0.941 60.120 59.018 0.269 0.000 1.752 170 C CB -1.039 26.928 27.740 0.379 0.000 1.998 170 C HN 0.621 nan 8.230 nan 0.000 0.489 171 E N 0.809 121.139 120.200 0.217 0.000 2.058 171 E HA -0.235 4.117 4.350 0.003 0.000 0.194 171 E C 2.144 178.860 176.600 0.194 0.000 0.997 171 E CA 1.281 57.817 56.400 0.226 0.000 0.801 171 E CB -0.137 29.702 29.700 0.231 0.000 0.746 171 E HN 0.639 nan 8.360 nan 0.000 0.450 172 K N 0.384 120.864 120.400 0.133 0.000 2.032 172 K HA -0.127 4.195 4.320 0.003 0.000 0.209 172 K C 2.188 178.836 176.600 0.081 0.000 1.048 172 K CA 1.513 57.861 56.287 0.101 0.000 0.927 172 K CB -0.135 32.359 32.500 -0.010 0.000 0.712 172 K HN 0.104 nan 8.250 nan 0.000 0.441 173 M N 0.277 119.880 119.600 0.004 0.000 2.108 173 M HA -0.202 4.280 4.480 0.003 0.000 0.261 173 M C 2.403 178.730 176.300 0.046 0.000 1.066 173 M CA 1.810 57.041 55.300 -0.114 0.000 1.107 173 M CB -0.381 31.930 32.600 -0.481 0.000 1.356 173 M HN 0.257 nan 8.290 nan 0.000 0.406 174 A N -0.537 122.433 122.820 0.250 0.000 1.930 174 A HA 0.066 4.388 4.320 0.003 0.000 0.215 174 A C 1.840 179.526 177.584 0.171 0.000 1.176 174 A CA 1.124 53.365 52.037 0.339 0.000 0.632 174 A CB -0.128 19.109 19.000 0.395 0.000 0.819 174 A HN 0.496 nan 8.150 nan 0.000 0.445 175 L N -3.159 118.143 121.223 0.132 0.000 3.174 175 L HA 0.206 4.548 4.340 0.003 0.000 0.283 175 L C 1.749 178.627 176.870 0.014 0.000 1.187 175 L CA 0.010 54.866 54.840 0.026 0.000 1.018 175 L CB 0.162 42.212 42.059 -0.014 0.000 1.433 175 L HN 0.444 nan 8.230 nan 0.000 0.593 176 Y N 1.357 121.644 120.300 -0.021 0.000 2.181 176 Y HA -0.299 4.253 4.550 0.003 0.000 0.288 176 Y C 2.170 178.049 175.900 -0.035 0.000 1.146 176 Y CA 2.178 60.261 58.100 -0.029 0.000 1.164 176 Y CB 0.116 38.564 38.460 -0.020 0.000 0.982 176 Y HN 0.220 nan 8.280 nan 0.000 0.515 177 D N 0.049 120.438 120.400 -0.017 0.000 2.123 177 D HA -0.211 4.431 4.640 0.003 0.000 0.196 177 D C 2.137 178.336 176.300 -0.168 0.000 0.992 177 D CA 1.811 55.755 54.000 -0.092 0.000 0.833 177 D CB -0.352 40.452 40.800 0.006 0.000 0.954 177 D HN 0.500 nan 8.370 nan 0.000 0.455 178 I N 0.328 120.811 120.570 -0.146 0.000 2.208 178 I HA -0.294 3.879 4.170 0.003 0.000 0.245 178 I C 2.405 178.384 176.117 -0.231 0.000 1.097 178 I CA 1.656 62.852 61.300 -0.173 0.000 1.363 178 I CB -0.610 37.264 38.000 -0.209 0.000 1.051 178 I HN 0.200 nan 8.210 nan 0.000 0.413 179 T N -1.780 112.600 114.554 -0.289 0.000 2.881 179 T HA -0.179 4.173 4.350 0.003 0.000 0.270 179 T C 1.732 176.253 174.700 -0.298 0.000 1.068 179 T CA 0.894 62.821 62.100 -0.287 0.000 1.131 179 T CB -0.160 68.539 68.868 -0.282 0.000 0.871 179 T HN 0.277 nan 8.240 nan 0.000 0.479 180 Q N 0.726 120.311 119.800 -0.359 0.000 2.331 180 Q HA 0.200 4.542 4.340 0.003 0.000 0.203 180 Q C 1.835 177.729 176.000 -0.177 0.000 0.944 180 Q CA 0.925 56.565 55.803 -0.270 0.000 0.892 180 Q CB 0.156 28.716 28.738 -0.296 0.000 0.983 180 Q HN 0.659 nan 8.270 nan 0.000 0.482 181 K N -0.833 119.460 120.400 -0.179 0.000 2.403 181 K HA 0.114 4.436 4.320 0.003 0.000 0.199 181 K C 1.740 178.245 176.600 -0.159 0.000 1.199 181 K CA -0.107 56.097 56.287 -0.139 0.000 0.924 181 K CB 0.298 32.739 32.500 -0.099 0.000 1.137 181 K HN -0.063 nan 8.250 nan 0.000 0.510 182 L N 2.431 123.552 121.223 -0.171 0.000 2.072 182 L HA 0.029 4.371 4.340 0.003 0.000 0.205 182 L C -1.333 175.396 176.870 -0.235 0.000 1.079 182 L CA 1.570 56.322 54.840 -0.148 0.000 0.752 182 L CB -0.578 41.435 42.059 -0.077 0.000 0.906 182 L HN -0.051 nan 8.230 nan 0.000 0.436 183 P HA -0.182 nan 4.420 nan 0.000 0.215 183 P C 1.474 178.431 177.300 -0.572 0.000 1.157 183 P CA 1.520 64.240 63.100 -0.633 0.000 0.863 183 P CB -0.011 30.879 31.700 -1.349 0.000 0.787 184 Q N -0.853 118.653 119.800 -0.491 0.000 2.124 184 Q HA -0.129 4.213 4.340 0.003 0.000 0.202 184 Q C 2.200 178.096 176.000 -0.174 0.000 0.977 184 Q CA 1.604 57.260 55.803 -0.245 0.000 0.850 184 Q CB -0.664 27.992 28.738 -0.137 0.000 0.901 184 Q HN 0.157 nan 8.270 nan 0.000 0.429 185 A N 0.344 123.067 122.820 -0.163 0.000 1.902 185 A HA -0.148 4.174 4.320 0.003 0.000 0.217 185 A C 2.199 179.718 177.584 -0.108 0.000 1.181 185 A CA 1.785 53.758 52.037 -0.108 0.000 0.623 185 A CB -0.622 18.327 19.000 -0.085 0.000 0.818 185 A HN 0.349 nan 8.150 nan 0.000 0.443 186 V N -4.578 115.245 119.914 -0.153 0.000 3.174 186 V HA 0.147 4.270 4.120 0.003 0.000 0.254 186 V C 1.868 177.806 176.094 -0.259 0.000 1.120 186 V CA 1.561 63.775 62.300 -0.144 0.000 1.114 186 V CB -0.334 31.424 31.823 -0.108 0.000 0.756 186 V HN 0.440 nan 8.190 nan 0.000 0.467 187 M N 0.171 119.547 119.600 -0.373 0.000 2.331 187 M HA 0.515 4.997 4.480 0.003 0.000 0.266 187 M C 1.544 177.699 176.300 -0.242 0.000 1.055 187 M CA 0.679 55.627 55.300 -0.587 0.000 1.048 187 M CB 0.749 32.929 32.600 -0.701 0.000 1.460 187 M HN 0.532 nan 8.290 nan 0.000 0.519 188 G N 1.925 110.638 108.800 -0.146 0.000 2.634 188 G HA2 -0.410 3.552 3.960 0.003 0.000 0.309 188 G HA3 -0.410 3.552 3.960 0.003 0.000 0.309 188 G C 0.891 175.765 174.900 -0.043 0.000 1.265 188 G CA 0.687 45.751 45.100 -0.060 0.000 0.998 188 G HN 0.513 nan 8.290 nan 0.000 0.551 189 A N -0.831 121.992 122.820 0.005 0.000 2.125 189 A HA 0.244 4.566 4.320 0.003 0.000 0.219 189 A C 2.616 180.113 177.584 -0.145 0.000 1.156 189 A CA 2.596 54.616 52.037 -0.027 0.000 0.671 189 A CB -0.515 18.561 19.000 0.127 0.000 0.794 189 A HN 1.282 nan 8.150 nan 0.000 0.459 190 S N -1.478 114.226 115.700 0.007 0.000 2.453 190 S HA -0.046 4.426 4.470 0.003 0.000 0.231 190 S C 0.618 175.233 174.600 0.024 0.000 1.005 190 S CA 0.115 58.363 58.200 0.080 0.000 0.949 190 S CB -0.359 62.953 63.200 0.186 0.000 0.774 190 S HN 0.636 nan 8.310 nan 0.000 0.510 191 Y N 3.295 123.481 120.300 -0.190 0.000 2.650 191 Y HA 0.409 4.961 4.550 0.003 0.000 0.342 191 Y C 1.229 176.978 175.900 -0.251 0.000 1.110 191 Y CA -1.160 56.822 58.100 -0.197 0.000 1.438 191 Y CB 0.004 38.343 38.460 -0.202 0.000 1.181 191 Y HN 0.034 nan 8.280 nan 0.000 0.526 192 G N 4.566 113.057 108.800 -0.515 0.000 2.464 192 G HA2 -0.218 3.744 3.960 0.003 0.000 0.217 192 G HA3 -0.218 3.744 3.960 0.003 0.000 0.217 192 G C 1.001 175.541 174.900 -0.599 0.000 1.138 192 G CA 0.089 44.908 45.100 -0.469 0.000 0.793 192 G HN 0.645 nan 8.290 nan 0.000 0.539 193 F N 1.428 120.910 119.950 -0.780 0.000 2.699 193 F HA 0.041 4.570 4.527 0.004 0.000 0.298 193 F C 2.824 178.410 175.800 -0.356 0.000 1.154 193 F CA 0.845 58.609 58.000 -0.392 0.000 1.457 193 F CB -0.031 38.792 39.000 -0.295 0.000 1.106 193 F HN 0.359 nan 8.300 nan 0.000 0.585 194 Q N -0.732 118.736 119.800 -0.554 0.000 2.435 194 Q HA -0.085 4.257 4.340 0.003 0.000 0.207 194 Q C -0.566 175.239 176.000 -0.325 0.000 0.956 194 Q CA 0.760 56.358 55.803 -0.343 0.000 0.917 194 Q CB -0.301 28.192 28.738 -0.408 0.000 0.997 194 Q HN 0.284 nan 8.270 nan 0.000 0.497 195 Y N 1.871 122.100 120.300 -0.119 0.000 2.342 195 Y HA 0.300 4.852 4.550 0.004 0.000 0.334 195 Y C 0.617 176.246 175.900 -0.451 0.000 1.067 195 Y CA -1.308 56.666 58.100 -0.210 0.000 1.128 195 Y CB 1.505 39.851 38.460 -0.190 0.000 1.200 195 Y HN 0.104 nan 8.280 nan 0.000 0.464 196 S N 2.694 118.032 115.700 -0.603 0.000 2.608 196 S HA 0.218 4.690 4.470 0.003 0.000 0.261 196 S C -2.001 172.359 174.600 -0.400 0.000 1.314 196 S CA -0.983 56.528 58.200 -1.148 0.000 0.992 196 S CB 1.185 63.857 63.200 -0.879 0.000 0.935 196 S HN 0.425 nan 8.310 nan 0.000 0.564 197 P HA -0.051 nan 4.420 nan 0.000 0.215 197 P C 1.595 178.857 177.300 -0.062 0.000 1.153 197 P CA 2.011 65.057 63.100 -0.090 0.000 0.853 197 P CB -0.298 31.395 31.700 -0.011 0.000 0.788 198 A N -0.416 122.347 122.820 -0.094 0.000 1.902 198 A HA -0.259 4.063 4.320 0.003 0.000 0.217 198 A C 2.207 179.751 177.584 -0.067 0.000 1.181 198 A CA 1.636 53.654 52.037 -0.033 0.000 0.623 198 A CB -1.299 17.672 19.000 -0.049 0.000 0.818 198 A HN 0.212 nan 8.150 nan 0.000 0.443 199 Q N -1.151 118.585 119.800 -0.107 0.000 2.172 199 Q HA -0.115 4.227 4.340 0.003 0.000 0.200 199 Q C 2.304 178.129 176.000 -0.293 0.000 0.964 199 Q CA 1.306 57.039 55.803 -0.116 0.000 0.855 199 Q CB -0.144 28.607 28.738 0.022 0.000 0.918 199 Q HN 0.705 nan 8.270 nan 0.000 0.444 200 R N 0.407 120.765 120.500 -0.236 0.000 2.081 200 R HA -0.133 4.210 4.340 0.003 0.000 0.235 200 R C 2.075 178.274 176.300 -0.167 0.000 1.131 200 R CA 1.196 57.136 56.100 -0.265 0.000 0.960 200 R CB -0.148 30.089 30.300 -0.104 0.000 0.856 200 R HN 0.080 nan 8.270 nan 0.000 0.436 201 V N 1.445 121.297 119.914 -0.104 0.000 2.287 201 V HA -0.265 3.857 4.120 0.003 0.000 0.248 201 V C 2.380 178.405 176.094 -0.115 0.000 1.053 201 V CA 2.310 64.561 62.300 -0.083 0.000 1.027 201 V CB -0.629 31.189 31.823 -0.009 0.000 0.646 201 V HN 0.514 nan 8.190 nan 0.000 0.447 202 E N -0.710 119.428 120.200 -0.104 0.000 2.077 202 E HA -0.287 4.065 4.350 0.003 0.000 0.193 202 E C 2.236 178.772 176.600 -0.107 0.000 0.989 202 E CA 1.754 58.096 56.400 -0.097 0.000 0.800 202 E CB -0.285 29.378 29.700 -0.063 0.000 0.746 202 E HN 0.682 nan 8.360 nan 0.000 0.452 203 Y N 1.268 121.384 120.300 -0.307 0.000 2.128 203 Y HA -0.206 4.346 4.550 0.003 0.000 0.284 203 Y C 1.992 177.777 175.900 -0.192 0.000 1.154 203 Y CA 1.721 59.635 58.100 -0.311 0.000 1.149 203 Y CB -0.375 37.718 38.460 -0.612 0.000 0.976 203 Y HN 0.035 nan 8.280 nan 0.000 0.505 204 L N -0.697 120.376 121.223 -0.250 0.000 2.046 204 L HA -0.250 4.092 4.340 0.003 0.000 0.208 204 L C 2.528 179.270 176.870 -0.214 0.000 1.077 204 L CA 1.226 55.905 54.840 -0.269 0.000 0.747 204 L CB -0.696 41.254 42.059 -0.182 0.000 0.896 204 L HN 0.276 nan 8.230 nan 0.000 0.432 205 L N -0.094 121.004 121.223 -0.209 0.000 2.042 205 L HA -0.261 4.081 4.340 0.003 0.000 0.210 205 L C 2.702 179.506 176.870 -0.111 0.000 1.076 205 L CA 1.392 56.116 54.840 -0.193 0.000 0.749 205 L CB -0.433 41.462 42.059 -0.273 0.000 0.893 205 L HN 0.218 nan 8.230 nan 0.000 0.432 206 K N 0.356 120.669 120.400 -0.145 0.000 2.057 206 K HA -0.101 4.221 4.320 0.003 0.000 0.206 206 K C 2.038 178.557 176.600 -0.134 0.000 1.050 206 K CA 1.423 57.640 56.287 -0.117 0.000 0.935 206 K CB -0.281 32.159 32.500 -0.100 0.000 0.715 206 K HN 0.204 nan 8.250 nan 0.000 0.439 207 A N 0.679 123.351 122.820 -0.248 0.000 1.908 207 A HA -0.194 4.128 4.320 0.003 0.000 0.218 207 A C 2.224 179.762 177.584 -0.076 0.000 1.181 207 A CA 1.495 53.391 52.037 -0.235 0.000 0.627 207 A CB -1.214 17.538 19.000 -0.414 0.000 0.818 207 A HN 0.693 nan 8.150 nan 0.000 0.445 208 W N 0.416 121.583 121.300 -0.221 0.000 2.355 208 W HA -0.159 4.503 4.660 0.003 0.000 0.309 208 W C 2.429 178.874 176.519 -0.124 0.000 1.206 208 W CA 1.805 59.054 57.345 -0.161 0.000 1.284 208 W CB -0.196 29.168 29.460 -0.161 0.000 1.145 208 W HN 0.434 nan 8.180 nan 0.000 0.502 209 A N 1.030 123.877 122.820 0.045 0.000 2.019 209 A HA -0.255 4.067 4.320 0.003 0.000 0.219 209 A C 1.730 179.263 177.584 -0.085 0.000 1.164 209 A CA 1.861 53.883 52.037 -0.024 0.000 0.644 209 A CB -0.945 18.049 19.000 -0.011 0.000 0.805 209 A HN 0.620 nan 8.150 nan 0.000 0.449 210 E N -0.413 119.729 120.200 -0.096 0.000 2.502 210 E HA -0.004 4.348 4.350 0.003 0.000 0.194 210 E C -0.262 176.266 176.600 -0.120 0.000 1.062 210 E CA 0.006 56.351 56.400 -0.091 0.000 0.867 210 E CB 0.061 29.716 29.700 -0.074 0.000 0.888 210 E HN 0.202 nan 8.360 nan 0.000 0.510 211 K N 1.480 121.769 120.400 -0.186 0.000 2.156 211 K HA 0.200 4.522 4.320 0.003 0.000 0.271 211 K C 0.641 177.122 176.600 -0.199 0.000 0.995 211 K CA -0.594 55.566 56.287 -0.211 0.000 0.890 211 K CB 1.536 33.848 32.500 -0.315 0.000 1.073 211 K HN -0.132 nan 8.250 nan 0.000 0.454 212 K N 0.801 121.115 120.400 -0.144 0.000 2.097 212 K HA -0.139 4.183 4.320 0.003 0.000 0.206 212 K C 0.134 176.652 176.600 -0.137 0.000 1.049 212 K CA 1.350 57.568 56.287 -0.115 0.000 0.933 212 K CB 0.093 32.545 32.500 -0.080 0.000 0.717 212 K HN 0.598 nan 8.250 nan 0.000 0.442 213 D N 0.120 120.421 120.400 -0.165 0.000 2.381 213 D HA 0.162 4.804 4.640 0.003 0.000 0.245 213 D C -2.821 173.339 176.300 -0.234 0.000 1.297 213 D CA -2.099 51.805 54.000 -0.161 0.000 0.931 213 D CB 1.286 42.035 40.800 -0.086 0.000 1.334 213 D HN -0.126 nan 8.370 nan 0.000 0.535 214 P HA 0.224 nan 4.420 nan 0.000 0.275 214 P C -0.450 176.518 177.300 -0.554 0.000 1.227 214 P CA -0.575 62.042 63.100 -0.804 0.000 0.781 214 P CB 1.048 31.587 31.700 -1.934 0.000 0.906 215 M N 2.612 121.990 119.600 -0.370 0.000 2.327 215 M HA 0.611 5.093 4.480 0.003 0.000 0.298 215 M C -1.116 175.142 176.300 -0.072 0.000 1.065 215 M CA -0.284 54.886 55.300 -0.216 0.000 0.916 215 M CB 2.341 34.859 32.600 -0.138 0.000 1.630 215 M HN 0.538 nan 8.290 nan 0.000 0.442 216 G N 4.065 112.920 108.800 0.093 0.000 2.533 216 G HA2 0.838 4.800 3.960 0.003 0.000 0.304 216 G HA3 0.838 4.800 3.960 0.003 0.000 0.304 216 G C -1.812 173.143 174.900 0.092 0.000 1.263 216 G CA -0.621 44.539 45.100 0.100 0.000 0.964 216 G HN 0.786 nan 8.290 nan 0.000 0.479 217 F N -0.377 119.532 119.950 -0.069 0.000 2.645 217 F HA 0.816 5.345 4.527 0.003 0.000 0.310 217 F C -0.191 175.594 175.800 -0.025 0.000 1.102 217 F CA -1.416 56.545 58.000 -0.065 0.000 0.952 217 F CB 1.622 40.570 39.000 -0.087 0.000 1.326 217 F HN 0.618 nan 8.300 nan 0.000 0.456 218 S N 0.939 116.757 115.700 0.197 0.000 2.549 218 S HA 0.638 5.110 4.470 0.003 0.000 0.297 218 S C -1.647 173.193 174.600 0.400 0.000 1.115 218 S CA -0.587 57.710 58.200 0.161 0.000 1.059 218 S CB 1.632 64.883 63.200 0.085 0.000 1.046 218 S HN 0.860 nan 8.310 nan 0.000 0.506 219 Y N 1.551 122.003 120.300 0.253 0.000 2.328 219 Y HA 0.471 5.023 4.550 0.003 0.000 0.336 219 Y C -1.005 175.036 175.900 0.234 0.000 0.960 219 Y CA -0.800 57.502 58.100 0.337 0.000 1.134 219 Y CB 1.442 40.220 38.460 0.531 0.000 1.166 219 Y HN 0.853 nan 8.280 nan 0.000 0.464 220 D N 4.535 124.787 120.400 -0.247 0.000 2.412 220 D HA 0.215 4.857 4.640 0.003 0.000 0.224 220 D C -0.801 175.344 176.300 -0.259 0.000 1.093 220 D CA -0.110 53.805 54.000 -0.142 0.000 0.850 220 D CB 0.947 41.697 40.800 -0.083 0.000 1.046 220 D HN 0.487 nan 8.370 nan 0.000 0.507 221 T N 3.557 118.123 114.554 0.021 0.000 2.832 221 T HA 0.161 4.513 4.350 0.003 0.000 0.296 221 T C 0.523 175.305 174.700 0.136 0.000 0.968 221 T CA -0.432 61.760 62.100 0.153 0.000 1.107 221 T CB 0.651 69.839 68.868 0.532 0.000 0.916 221 T HN 0.289 nan 8.240 nan 0.000 0.517 222 R N 2.185 122.726 120.500 0.069 0.000 2.404 222 R HA 0.160 4.502 4.340 0.003 0.000 0.315 222 R C 0.247 176.653 176.300 0.177 0.000 1.032 222 R CA -0.177 55.962 56.100 0.065 0.000 0.992 222 R CB -0.632 29.641 30.300 -0.046 0.000 0.959 222 R HN 0.912 nan 8.270 nan 0.000 0.428 223 C N 6.525 125.961 119.300 0.228 0.000 3.268 223 C HA -0.185 4.277 4.460 0.003 0.000 0.277 223 C C 1.281 176.479 174.990 0.346 0.000 1.259 223 C CA 0.168 59.374 59.018 0.313 0.000 2.353 223 C CB -2.359 25.629 27.740 0.414 0.000 1.482 223 C HN 1.078 nan 8.230 nan 0.000 0.513 224 F N 1.934 122.006 119.950 0.204 0.000 2.063 224 F HA -0.158 4.371 4.527 0.003 0.000 0.298 224 F C 1.859 177.770 175.800 0.184 0.000 1.109 224 F CA 2.603 60.722 58.000 0.199 0.000 1.212 224 F CB -0.108 39.002 39.000 0.182 0.000 0.973 224 F HN 0.583 nan 8.300 nan 0.000 0.480 225 D N -0.404 120.217 120.400 0.369 0.000 2.158 225 D HA -0.179 4.463 4.640 0.003 0.000 0.197 225 D C 2.430 178.768 176.300 0.064 0.000 0.995 225 D CA 1.744 55.886 54.000 0.236 0.000 0.846 225 D CB -0.560 40.391 40.800 0.251 0.000 0.941 225 D HN 0.263 nan 8.370 nan 0.000 0.456 226 S N -0.566 115.179 115.700 0.075 0.000 2.453 226 S HA -0.095 4.377 4.470 0.003 0.000 0.231 226 S C 2.035 176.547 174.600 -0.147 0.000 1.005 226 S CA 1.324 59.453 58.200 -0.118 0.000 0.949 226 S CB -0.174 62.896 63.200 -0.216 0.000 0.774 226 S HN 0.532 nan 8.310 nan 0.000 0.510 227 T N -0.389 114.162 114.554 -0.005 0.000 3.055 227 T HA 0.117 4.469 4.350 0.003 0.000 0.265 227 T C 0.644 175.257 174.700 -0.144 0.000 1.111 227 T CA 0.061 62.156 62.100 -0.008 0.000 1.118 227 T CB -0.436 68.408 68.868 -0.041 0.000 0.909 227 T HN 0.039 nan 8.240 nan 0.000 0.501 228 V N 4.129 123.919 119.914 -0.206 0.000 2.450 228 V HA 0.278 4.400 4.120 0.003 0.000 0.281 228 V C 1.173 177.212 176.094 -0.093 0.000 1.019 228 V CA -0.178 62.034 62.300 -0.147 0.000 1.062 228 V CB -0.055 31.724 31.823 -0.074 0.000 0.979 228 V HN 0.723 nan 8.190 nan 0.000 0.477 229 T N 1.100 115.616 114.554 -0.064 0.000 2.902 229 T HA 0.330 4.682 4.350 0.003 0.000 0.280 229 T C 0.991 175.670 174.700 -0.034 0.000 0.992 229 T CA -0.609 61.458 62.100 -0.055 0.000 1.015 229 T CB 1.295 70.137 68.868 -0.044 0.000 1.044 229 T HN 0.646 nan 8.240 nan 0.000 0.520 230 E N 0.011 120.191 120.200 -0.034 0.000 2.085 230 E HA -0.190 4.162 4.350 0.003 0.000 0.194 230 E C 2.307 178.906 176.600 -0.001 0.000 0.994 230 E CA 1.062 57.455 56.400 -0.012 0.000 0.801 230 E CB -0.105 29.587 29.700 -0.012 0.000 0.743 230 E HN 0.628 nan 8.360 nan 0.000 0.453 231 R N 0.869 121.363 120.500 -0.011 0.000 2.081 231 R HA -0.175 4.167 4.340 0.003 0.000 0.235 231 R C 1.535 177.838 176.300 0.006 0.000 1.131 231 R CA 1.706 57.802 56.100 -0.006 0.000 0.960 231 R CB 0.010 30.295 30.300 -0.025 0.000 0.856 231 R HN 0.103 nan 8.270 nan 0.000 0.436 232 D N 0.468 120.871 120.400 0.006 0.000 2.123 232 D HA -0.179 4.463 4.640 0.003 0.000 0.196 232 D C 1.868 178.184 176.300 0.027 0.000 0.992 232 D CA 1.397 55.416 54.000 0.032 0.000 0.833 232 D CB -0.114 40.704 40.800 0.029 0.000 0.954 232 D HN 0.345 nan 8.370 nan 0.000 0.455 233 I N 0.385 120.969 120.570 0.024 0.000 2.353 233 I HA -0.158 4.014 4.170 0.003 0.000 0.248 233 I C 2.419 178.547 176.117 0.018 0.000 1.119 233 I CA 0.726 62.046 61.300 0.033 0.000 1.417 233 I CB -0.018 38.022 38.000 0.067 0.000 1.078 233 I HN -0.122 nan 8.210 nan 0.000 0.421 234 R N -0.071 120.442 120.500 0.022 0.000 2.115 234 R HA -0.088 4.254 4.340 0.003 0.000 0.230 234 R C 2.252 178.543 176.300 -0.014 0.000 1.111 234 R CA 1.618 57.731 56.100 0.022 0.000 0.976 234 R CB -0.481 29.840 30.300 0.034 0.000 0.870 234 R HN 0.291 nan 8.270 nan 0.000 0.445 235 T N 0.923 115.469 114.554 -0.013 0.000 2.777 235 T HA -0.126 4.226 4.350 0.003 0.000 0.266 235 T C 1.428 176.056 174.700 -0.120 0.000 1.040 235 T CA 1.281 63.367 62.100 -0.025 0.000 1.141 235 T CB -0.069 68.826 68.868 0.045 0.000 0.868 235 T HN 0.359 nan 8.240 nan 0.000 0.444 236 E N 0.858 120.952 120.200 -0.176 0.000 2.085 236 E HA -0.192 4.160 4.350 0.003 0.000 0.194 236 E C 2.291 178.375 176.600 -0.859 0.000 0.994 236 E CA 1.130 57.261 56.400 -0.448 0.000 0.801 236 E CB -0.114 29.379 29.700 -0.346 0.000 0.743 236 E HN 0.546 nan 8.360 nan 0.000 0.453 237 E N 0.550 120.464 120.200 -0.477 0.000 2.085 237 E HA -0.219 4.133 4.350 0.003 0.000 0.194 237 E C 2.148 178.661 176.600 -0.144 0.000 0.994 237 E CA 1.613 57.855 56.400 -0.264 0.000 0.801 237 E CB 0.005 29.734 29.700 0.048 0.000 0.743 237 E HN 0.251 nan 8.360 nan 0.000 0.453 238 S N 0.307 115.943 115.700 -0.107 0.000 2.399 238 S HA -0.159 4.313 4.470 0.003 0.000 0.231 238 S C 2.043 176.613 174.600 -0.049 0.000 1.022 238 S CA 1.096 59.269 58.200 -0.046 0.000 0.983 238 S CB -0.566 62.618 63.200 -0.027 0.000 0.803 238 S HN 0.301 nan 8.310 nan 0.000 0.480 239 I N 0.349 120.849 120.570 -0.116 0.000 2.202 239 I HA -0.150 4.022 4.170 0.003 0.000 0.242 239 I C 2.415 178.572 176.117 0.067 0.000 1.091 239 I CA 1.356 62.623 61.300 -0.056 0.000 1.368 239 I CB -0.607 37.344 38.000 -0.083 0.000 1.058 239 I HN 0.201 nan 8.210 nan 0.000 0.410 240 Y N 1.169 121.486 120.300 0.028 0.000 2.114 240 Y HA -0.250 4.302 4.550 0.003 0.000 0.282 240 Y C 2.640 178.558 175.900 0.030 0.000 1.165 240 Y CA 0.788 58.907 58.100 0.030 0.000 1.148 240 Y CB -1.234 37.261 38.460 0.058 0.000 0.972 240 Y HN 0.283 nan 8.280 nan 0.000 0.504 241 Q N -0.486 119.422 119.800 0.180 0.000 2.436 241 Q HA 0.062 4.404 4.340 0.003 0.000 0.209 241 Q C 2.304 178.342 176.000 0.064 0.000 0.965 241 Q CA 0.855 56.722 55.803 0.107 0.000 0.910 241 Q CB -0.391 28.391 28.738 0.073 0.000 0.980 241 Q HN 0.520 nan 8.270 nan 0.000 0.491 242 A N 0.224 123.078 122.820 0.057 0.000 2.066 242 A HA -0.053 4.269 4.320 0.003 0.000 0.218 242 A C 1.262 178.866 177.584 0.034 0.000 1.157 242 A CA 0.161 52.218 52.037 0.034 0.000 0.670 242 A CB -0.275 18.738 19.000 0.022 0.000 0.804 242 A HN 0.359 nan 8.150 nan 0.000 0.453 243 C N 0.033 119.362 119.300 0.049 0.000 2.705 243 C HA 0.368 4.830 4.460 0.003 0.000 0.382 243 C C 1.131 176.140 174.990 0.032 0.000 1.322 243 C CA -0.498 58.542 59.018 0.036 0.000 2.290 243 C CB 0.310 28.075 27.740 0.041 0.000 2.650 243 C HN 0.454 nan 8.230 nan 0.000 0.695 244 S N 1.540 117.253 115.700 0.022 0.000 2.448 244 S HA 0.545 5.017 4.470 0.003 0.000 0.279 244 S C -0.440 174.176 174.600 0.026 0.000 1.195 244 S CA -0.146 58.067 58.200 0.021 0.000 1.051 244 S CB -0.216 62.992 63.200 0.014 0.000 0.948 244 S HN 0.423 nan 8.310 nan 0.000 0.493 245 L N 4.729 125.972 121.223 0.033 0.000 2.371 245 L HA 0.573 4.915 4.340 0.003 0.000 0.262 245 L C -2.226 174.670 176.870 0.043 0.000 1.006 245 L CA -2.427 52.438 54.840 0.043 0.000 0.818 245 L CB 1.957 44.051 42.059 0.057 0.000 1.354 245 L HN 0.359 nan 8.230 nan 0.000 0.415 246 P HA 0.022 nan 4.420 nan 0.000 0.271 246 P C 0.202 177.537 177.300 0.058 0.000 1.218 246 P CA -0.174 62.957 63.100 0.051 0.000 0.780 246 P CB 1.060 32.796 31.700 0.060 0.000 0.901 247 E N 1.519 121.746 120.200 0.046 0.000 2.097 247 E HA -0.283 4.069 4.350 0.003 0.000 0.196 247 E C 1.612 178.241 176.600 0.050 0.000 1.000 247 E CA 1.564 57.987 56.400 0.038 0.000 0.804 247 E CB 0.021 29.736 29.700 0.026 0.000 0.740 247 E HN 0.601 nan 8.360 nan 0.000 0.454 248 E N -0.224 120.022 120.200 0.077 0.000 2.085 248 E HA -0.218 4.134 4.350 0.003 0.000 0.194 248 E C 1.942 178.622 176.600 0.133 0.000 0.994 248 E CA 1.113 57.579 56.400 0.109 0.000 0.801 248 E CB -0.172 29.643 29.700 0.191 0.000 0.743 248 E HN 0.358 nan 8.360 nan 0.000 0.453 249 A N 1.294 124.213 122.820 0.166 0.000 1.902 249 A HA -0.186 4.136 4.320 0.003 0.000 0.217 249 A C 2.146 179.794 177.584 0.106 0.000 1.181 249 A CA 1.476 53.617 52.037 0.174 0.000 0.623 249 A CB -0.469 18.623 19.000 0.152 0.000 0.818 249 A HN 0.194 nan 8.150 nan 0.000 0.443 250 R N -0.845 119.703 120.500 0.080 0.000 2.083 250 R HA -0.108 4.234 4.340 0.003 0.000 0.237 250 R C 2.291 178.627 176.300 0.061 0.000 1.137 250 R CA 1.894 58.037 56.100 0.071 0.000 0.951 250 R CB -0.935 29.391 30.300 0.044 0.000 0.851 250 R HN 0.548 nan 8.270 nan 0.000 0.434 251 T N 1.058 115.624 114.554 0.021 0.000 2.674 251 T HA -0.145 4.207 4.350 0.003 0.000 0.265 251 T C 2.020 176.680 174.700 -0.067 0.000 1.039 251 T CA 1.503 63.596 62.100 -0.013 0.000 1.150 251 T CB -0.321 68.512 68.868 -0.058 0.000 0.864 251 T HN 0.393 nan 8.240 nan 0.000 0.427 252 A N 0.963 123.682 122.820 -0.168 0.000 1.933 252 A HA -0.027 4.295 4.320 0.003 0.000 0.218 252 A C 2.305 179.828 177.584 -0.101 0.000 1.175 252 A CA 1.253 53.108 52.037 -0.304 0.000 0.628 252 A CB -0.827 17.836 19.000 -0.563 0.000 0.814 252 A HN 0.534 nan 8.150 nan 0.000 0.444 253 I N -1.536 119.054 120.570 0.034 0.000 2.252 253 I HA -0.240 3.932 4.170 0.003 0.000 0.245 253 I C 2.498 178.699 176.117 0.139 0.000 1.102 253 I CA 1.695 63.072 61.300 0.129 0.000 1.385 253 I CB -0.394 37.725 38.000 0.197 0.000 1.064 253 I HN 0.533 nan 8.210 nan 0.000 0.414 254 H N 0.171 119.256 119.070 0.026 0.000 2.353 254 H HA -0.159 4.399 4.556 0.003 0.000 0.300 254 H C 2.445 177.749 175.328 -0.039 0.000 1.090 254 H CA 1.951 58.005 56.048 0.010 0.000 1.327 254 H CB -0.071 29.688 29.762 -0.005 0.000 1.383 254 H HN 0.154 nan 8.280 nan 0.000 0.508 255 S N -0.751 114.841 115.700 -0.180 0.000 2.356 255 S HA -0.085 4.387 4.470 0.003 0.000 0.223 255 S C 2.266 176.700 174.600 -0.277 0.000 1.032 255 S CA 1.221 59.265 58.200 -0.260 0.000 1.005 255 S CB -0.403 62.673 63.200 -0.207 0.000 0.867 255 S HN 0.474 nan 8.310 nan 0.000 0.449 256 L N 0.738 121.800 121.223 -0.269 0.000 2.083 256 L HA -0.097 4.245 4.340 0.003 0.000 0.209 256 L C 2.770 179.283 176.870 -0.595 0.000 1.083 256 L CA 1.515 56.084 54.840 -0.453 0.000 0.752 256 L CB -0.966 40.818 42.059 -0.459 0.000 0.899 256 L HN 0.341 nan 8.230 nan 0.000 0.433 257 T N -1.002 113.389 114.554 -0.273 0.000 2.708 257 T HA -0.152 4.200 4.350 0.003 0.000 0.266 257 T C 1.775 176.406 174.700 -0.115 0.000 1.037 257 T CA 1.203 63.275 62.100 -0.047 0.000 1.146 257 T CB -0.054 68.885 68.868 0.118 0.000 0.865 257 T HN 0.262 nan 8.240 nan 0.000 0.435 258 E N 0.679 120.742 120.200 -0.228 0.000 2.299 258 E HA 0.076 4.428 4.350 0.003 0.000 0.193 258 E C 2.261 178.779 176.600 -0.137 0.000 0.998 258 E CA 0.550 56.838 56.400 -0.187 0.000 0.851 258 E CB 0.018 29.537 29.700 -0.301 0.000 0.795 258 E HN 0.440 nan 8.360 nan 0.000 0.492 259 R N -0.529 119.866 120.500 -0.176 0.000 2.237 259 R HA 0.128 4.470 4.340 0.003 0.000 0.195 259 R C 1.693 177.919 176.300 -0.124 0.000 0.956 259 R CA 0.281 56.303 56.100 -0.131 0.000 1.029 259 R CB 0.388 30.604 30.300 -0.140 0.000 0.972 259 R HN 0.017 nan 8.270 nan 0.000 0.493 260 L N -2.308 118.805 121.223 -0.184 0.000 2.678 260 L HA 0.190 4.532 4.340 0.003 0.000 0.187 260 L C 1.210 178.082 176.870 0.004 0.000 1.073 260 L CA 0.703 55.456 54.840 -0.144 0.000 0.883 260 L CB -0.305 41.593 42.059 -0.269 0.000 1.501 260 L HN -0.141 nan 8.230 nan 0.000 0.488 261 Y N 0.842 121.152 120.300 0.017 0.000 2.181 261 Y HA -0.078 4.474 4.550 0.004 0.000 0.288 261 Y C 2.647 178.552 175.900 0.008 0.000 1.146 261 Y CA 1.658 59.779 58.100 0.035 0.000 1.164 261 Y CB -1.398 37.107 38.460 0.075 0.000 0.982 261 Y HN 0.222 nan 8.280 nan 0.000 0.515 262 V N -2.741 117.252 119.914 0.133 0.000 3.041 262 V HA 0.445 4.567 4.120 0.003 0.000 0.260 262 V C 0.996 177.102 176.094 0.019 0.000 1.105 262 V CA 0.959 63.298 62.300 0.064 0.000 1.125 262 V CB -0.829 31.018 31.823 0.040 0.000 0.730 262 V HN 0.408 nan 8.190 nan 0.000 0.479 263 G N -2.240 106.555 108.800 -0.007 0.000 2.359 263 G HA2 0.592 4.554 3.960 0.003 0.000 0.293 263 G HA3 0.592 4.554 3.960 0.003 0.000 0.293 263 G C -0.485 174.291 174.900 -0.207 0.000 1.300 263 G CA -0.017 45.029 45.100 -0.091 0.000 0.888 263 G HN 1.626 nan 8.290 nan 0.000 0.541 264 G N -0.974 107.461 108.800 -0.609 0.000 2.336 264 G HA2 0.674 4.636 3.960 0.003 0.000 0.300 264 G HA3 0.674 4.636 3.960 0.003 0.000 0.300 264 G C -3.496 170.718 174.900 -1.143 0.000 1.375 264 G CA 0.141 44.767 45.100 -0.790 0.000 0.885 264 G HN 0.837 nan 8.290 nan 0.000 0.599 265 P HA 0.426 nan 4.420 nan 0.000 0.275 265 P C -0.485 176.633 177.300 -0.304 0.000 1.228 265 P CA -0.037 62.801 63.100 -0.437 0.000 0.786 265 P CB 0.945 32.591 31.700 -0.090 0.000 0.927 266 M N 2.424 121.782 119.600 -0.403 0.000 2.383 266 M HA 0.485 4.967 4.480 0.003 0.000 0.325 266 M C -0.641 175.404 176.300 -0.425 0.000 1.092 266 M CA -0.490 54.664 55.300 -0.243 0.000 0.961 266 M CB 1.451 33.947 32.600 -0.173 0.000 1.672 266 M HN 0.168 nan 8.290 nan 0.000 0.438 267 F N 1.098 121.012 119.950 -0.059 0.000 2.546 267 F HA 0.439 4.966 4.527 0.001 0.000 0.320 267 F C 0.385 176.165 175.800 -0.033 0.000 1.076 267 F CA -1.009 56.971 58.000 -0.034 0.000 0.928 267 F CB 1.237 40.209 39.000 -0.048 0.000 1.189 267 F HN 0.595 nan 8.300 nan 0.000 0.465 268 N N -0.716 118.077 118.700 0.154 0.000 2.364 268 N HA 0.119 4.861 4.740 0.003 0.000 0.264 268 N C 0.833 176.389 175.510 0.077 0.000 1.263 268 N CA -0.007 53.099 53.050 0.093 0.000 0.959 268 N CB 0.120 38.651 38.487 0.073 0.000 1.204 268 N HN 0.538 nan 8.380 nan 0.000 0.550 269 S N -1.237 114.494 115.700 0.051 0.000 2.474 269 S HA -0.093 4.379 4.470 0.003 0.000 0.235 269 S C 1.112 175.727 174.600 0.026 0.000 0.997 269 S CA 0.642 58.863 58.200 0.035 0.000 0.949 269 S CB -0.431 62.794 63.200 0.041 0.000 0.766 269 S HN 0.609 nan 8.310 nan 0.000 0.517 270 K N 0.629 121.052 120.400 0.038 0.000 2.418 270 K HA 0.207 4.529 4.320 0.003 0.000 0.195 270 K C 1.341 177.962 176.600 0.034 0.000 1.035 270 K CA 0.447 56.752 56.287 0.031 0.000 1.003 270 K CB -0.210 32.311 32.500 0.036 0.000 0.793 270 K HN 0.584 nan 8.250 nan 0.000 0.494 271 G N 1.604 110.440 108.800 0.061 0.000 2.157 271 G HA2 -0.270 3.692 3.960 0.003 0.000 0.239 271 G HA3 -0.270 3.692 3.960 0.003 0.000 0.239 271 G C -0.243 174.778 174.900 0.202 0.000 0.982 271 G CA -0.212 44.930 45.100 0.071 0.000 0.650 271 G HN 0.327 nan 8.290 nan 0.000 0.527 272 Q N 0.896 120.806 119.800 0.185 0.000 2.299 272 Q HA 0.480 4.822 4.340 0.003 0.000 0.246 272 Q C 0.222 176.340 176.000 0.197 0.000 0.935 272 Q CA 0.131 56.040 55.803 0.177 0.000 0.887 272 Q CB 0.745 29.539 28.738 0.094 0.000 1.223 272 Q HN 0.225 nan 8.270 nan 0.000 0.439 273 T N 0.934 115.543 114.554 0.092 0.000 2.817 273 T HA -0.023 4.329 4.350 0.003 0.000 0.295 273 T C 0.433 175.045 174.700 -0.146 0.000 0.958 273 T CA -0.274 61.674 62.100 -0.254 0.000 1.157 273 T CB 0.448 69.190 68.868 -0.210 0.000 0.898 273 T HN 0.754 nan 8.240 nan 0.000 0.536 274 C N 3.142 122.323 119.300 -0.197 0.000 2.689 274 C HA 0.621 5.083 4.460 0.003 0.000 0.336 274 C C 1.326 176.349 174.990 0.056 0.000 1.304 274 C CA 0.832 59.856 59.018 0.010 0.000 1.860 274 C CB -0.901 26.881 27.740 0.070 0.000 2.405 274 C HN 1.111 nan 8.230 nan 0.000 0.557 275 G N -1.542 107.167 108.800 -0.153 0.000 2.325 275 G HA2 0.392 4.354 3.960 0.003 0.000 0.295 275 G HA3 0.392 4.354 3.960 0.003 0.000 0.295 275 G C -2.358 172.406 174.900 -0.227 0.000 1.274 275 G CA -0.251 44.712 45.100 -0.228 0.000 0.857 275 G HN 0.160 nan 8.290 nan 0.000 0.499 276 Y N 0.477 120.558 120.300 -0.365 0.000 2.457 276 Y HA 0.747 5.299 4.550 0.003 0.000 0.343 276 Y C 0.055 175.809 175.900 -0.243 0.000 0.994 276 Y CA -0.893 57.055 58.100 -0.254 0.000 1.031 276 Y CB 2.012 40.353 38.460 -0.199 0.000 1.246 276 Y HN 0.675 nan 8.280 nan 0.000 0.449 277 R N 4.774 125.062 120.500 -0.353 0.000 2.460 277 R HA 0.556 4.898 4.340 0.003 0.000 0.303 277 R C -0.687 175.481 176.300 -0.220 0.000 0.968 277 R CA -0.578 55.344 56.100 -0.296 0.000 0.889 277 R CB 0.901 31.075 30.300 -0.210 0.000 1.123 277 R HN 0.920 nan 8.270 nan 0.000 0.455 278 R N 3.081 123.412 120.500 -0.282 0.000 2.642 278 R HA 0.216 4.558 4.340 0.003 0.000 0.435 278 R C -0.561 175.608 176.300 -0.219 0.000 1.046 278 R CA -0.332 55.675 56.100 -0.156 0.000 1.103 278 R CB 0.459 30.699 30.300 -0.100 0.000 1.425 278 R HN 0.777 nan 8.270 nan 0.000 0.586 279 C N -1.817 117.306 119.300 -0.294 0.000 3.321 279 C HA 0.621 5.083 4.460 0.003 0.000 0.363 279 C C -0.255 174.664 174.990 -0.119 0.000 1.705 279 C CA -1.534 57.342 59.018 -0.236 0.000 1.298 279 C CB 1.194 28.712 27.740 -0.370 0.000 2.086 279 C HN 0.368 nan 8.230 nan 0.000 0.438 280 R N 1.284 121.758 120.500 -0.043 0.000 2.538 280 R HA 0.461 4.803 4.340 0.003 0.000 0.282 280 R C 0.111 176.458 176.300 0.078 0.000 1.009 280 R CA 0.994 57.123 56.100 0.049 0.000 1.063 280 R CB -0.157 30.212 30.300 0.114 0.000 0.945 280 R HN 1.222 nan 8.270 nan 0.000 0.414 281 A N 3.680 126.564 122.820 0.107 0.000 2.409 281 A HA 0.215 4.537 4.320 0.003 0.000 0.262 281 A C 0.943 178.622 177.584 0.159 0.000 1.113 281 A CA 0.096 52.219 52.037 0.144 0.000 0.790 281 A CB 0.370 19.468 19.000 0.163 0.000 1.046 281 A HN 1.010 nan 8.150 nan 0.000 0.496 282 S N 1.993 117.802 115.700 0.182 0.000 2.489 282 S HA 0.091 4.563 4.470 0.003 0.000 0.228 282 S C 1.051 175.746 174.600 0.160 0.000 0.995 282 S CA 0.675 58.980 58.200 0.175 0.000 0.934 282 S CB 0.116 63.429 63.200 0.188 0.000 0.771 282 S HN 1.261 nan 8.310 nan 0.000 0.522 283 G N 1.842 110.754 108.800 0.186 0.000 4.757 283 G HA2 0.526 4.488 3.960 0.003 0.000 0.303 283 G HA3 0.526 4.488 3.960 0.003 0.000 0.303 283 G C -0.158 174.852 174.900 0.182 0.000 1.318 283 G CA -0.145 45.065 45.100 0.183 0.000 1.020 283 G HN 0.521 nan 8.290 nan 0.000 0.589 284 V N -2.388 117.617 119.914 0.152 0.000 3.113 284 V HA 0.612 4.734 4.120 0.003 0.000 0.316 284 V C 1.384 177.535 176.094 0.094 0.000 1.125 284 V CA -0.936 61.466 62.300 0.169 0.000 1.026 284 V CB 1.658 33.638 31.823 0.261 0.000 1.080 284 V HN 0.082 nan 8.190 nan 0.000 0.444 285 L N 1.907 123.197 121.223 0.112 0.000 2.083 285 L HA -0.022 4.320 4.340 0.003 0.000 0.209 285 L C 2.245 179.108 176.870 -0.011 0.000 1.083 285 L CA 3.018 57.898 54.840 0.066 0.000 0.752 285 L CB -0.686 41.440 42.059 0.112 0.000 0.899 285 L HN 1.087 nan 8.230 nan 0.000 0.433 286 T N -5.685 108.802 114.554 -0.112 0.000 3.169 286 T HA 0.019 4.371 4.350 0.003 0.000 0.250 286 T C 1.512 176.160 174.700 -0.085 0.000 1.111 286 T CA 0.681 62.676 62.100 -0.175 0.000 1.010 286 T CB -0.710 67.896 68.868 -0.436 0.000 0.984 286 T HN 0.272 nan 8.240 nan 0.000 0.537 287 T N 1.773 116.309 114.554 -0.030 0.000 2.674 287 T HA -0.124 4.228 4.350 0.003 0.000 0.265 287 T C 2.212 176.957 174.700 0.074 0.000 1.039 287 T CA 1.707 63.832 62.100 0.040 0.000 1.150 287 T CB -0.556 68.355 68.868 0.072 0.000 0.864 287 T HN 0.535 nan 8.240 nan 0.000 0.427 288 S N 0.560 116.287 115.700 0.045 0.000 2.357 288 S HA -0.020 4.452 4.470 0.003 0.000 0.221 288 S C 2.168 176.849 174.600 0.135 0.000 1.031 288 S CA 1.392 59.632 58.200 0.066 0.000 0.982 288 S CB -0.420 62.726 63.200 -0.089 0.000 0.853 288 S HN 0.492 nan 8.310 nan 0.000 0.458 289 M N 0.972 120.625 119.600 0.088 0.000 2.080 289 M HA -0.027 4.455 4.480 0.003 0.000 0.260 289 M C 2.061 178.452 176.300 0.152 0.000 1.068 289 M CA 2.106 57.475 55.300 0.117 0.000 1.109 289 M CB -0.994 31.622 32.600 0.028 0.000 1.342 289 M HN 0.425 nan 8.290 nan 0.000 0.405 290 G N 0.455 109.340 108.800 0.142 0.000 2.446 290 G HA2 -0.285 3.677 3.960 0.003 0.000 0.217 290 G HA3 -0.285 3.677 3.960 0.003 0.000 0.217 290 G C 1.185 176.211 174.900 0.211 0.000 1.168 290 G CA 1.278 46.480 45.100 0.170 0.000 0.771 290 G HN 0.489 nan 8.290 nan 0.000 0.551 291 N N 0.343 119.173 118.700 0.216 0.000 2.166 291 N HA -0.077 4.665 4.740 0.003 0.000 0.186 291 N C 2.385 177.974 175.510 0.131 0.000 1.019 291 N CA 1.602 54.787 53.050 0.225 0.000 0.856 291 N CB -0.736 37.794 38.487 0.072 0.000 0.993 291 N HN 0.265 nan 8.380 nan 0.000 0.426 292 T N 1.410 116.069 114.554 0.174 0.000 2.737 292 T HA 0.033 4.385 4.350 0.003 0.000 0.265 292 T C 2.086 176.913 174.700 0.211 0.000 1.038 292 T CA 0.698 62.919 62.100 0.201 0.000 1.144 292 T CB -0.169 68.895 68.868 0.328 0.000 0.866 292 T HN 0.170 nan 8.240 nan 0.000 0.434 293 I N 0.977 121.661 120.570 0.190 0.000 2.252 293 I HA -0.156 4.016 4.170 0.003 0.000 0.245 293 I C 2.662 178.919 176.117 0.234 0.000 1.102 293 I CA 1.103 62.509 61.300 0.178 0.000 1.385 293 I CB -0.510 37.563 38.000 0.121 0.000 1.064 293 I HN 0.247 nan 8.210 nan 0.000 0.414 294 T N -0.417 114.286 114.554 0.249 0.000 2.857 294 T HA -0.184 4.168 4.350 0.003 0.000 0.266 294 T C 2.041 176.958 174.700 0.361 0.000 1.048 294 T CA 1.171 63.441 62.100 0.282 0.000 1.139 294 T CB -0.395 68.656 68.868 0.306 0.000 0.874 294 T HN 0.482 nan 8.240 nan 0.000 0.455 295 C N 0.717 120.265 119.300 0.413 0.000 2.432 295 C HA -0.097 4.365 4.460 0.003 0.000 0.277 295 C C 2.354 177.514 174.990 0.283 0.000 1.249 295 C CA 0.545 59.788 59.018 0.376 0.000 1.725 295 C CB -1.387 26.446 27.740 0.154 0.000 2.028 295 C HN 0.652 nan 8.230 nan 0.000 0.477 296 Y N 1.368 121.754 120.300 0.142 0.000 2.097 296 Y HA -0.168 4.384 4.550 0.003 0.000 0.282 296 Y C 2.271 178.216 175.900 0.073 0.000 1.152 296 Y CA 2.521 60.683 58.100 0.105 0.000 1.136 296 Y CB -0.594 37.914 38.460 0.081 0.000 0.975 296 Y HN 0.214 nan 8.280 nan 0.000 0.498 297 V N 0.780 120.735 119.914 0.069 0.000 2.295 297 V HA -0.336 3.786 4.120 0.003 0.000 0.246 297 V C 2.281 178.280 176.094 -0.158 0.000 1.049 297 V CA 2.425 64.644 62.300 -0.136 0.000 1.024 297 V CB -0.703 31.027 31.823 -0.155 0.000 0.648 297 V HN 0.341 nan 8.190 nan 0.000 0.447 298 K N 0.347 120.757 120.400 0.017 0.000 2.063 298 K HA -0.144 4.178 4.320 0.003 0.000 0.208 298 K C 2.313 178.973 176.600 0.100 0.000 1.048 298 K CA 1.579 57.922 56.287 0.094 0.000 0.928 298 K CB -0.445 32.198 32.500 0.238 0.000 0.713 298 K HN 0.482 nan 8.250 nan 0.000 0.442 299 A N 1.186 124.049 122.820 0.073 0.000 1.898 299 A HA -0.125 4.197 4.320 0.003 0.000 0.216 299 A C 2.070 179.712 177.584 0.096 0.000 1.181 299 A CA 0.992 53.106 52.037 0.128 0.000 0.620 299 A CB -0.422 18.705 19.000 0.212 0.000 0.819 299 A HN 0.194 nan 8.150 nan 0.000 0.442 300 L N -0.170 120.973 121.223 -0.133 0.000 2.027 300 L HA -0.006 4.336 4.340 0.003 0.000 0.206 300 L C 2.711 179.555 176.870 -0.043 0.000 1.074 300 L CA 2.078 56.814 54.840 -0.173 0.000 0.745 300 L CB -0.936 40.848 42.059 -0.458 0.000 0.898 300 L HN 0.344 nan 8.230 nan 0.000 0.433 301 A N -0.523 122.273 122.820 -0.040 0.000 1.908 301 A HA -0.173 4.149 4.320 0.003 0.000 0.218 301 A C 2.426 180.124 177.584 0.190 0.000 1.181 301 A CA 2.001 54.086 52.037 0.080 0.000 0.627 301 A CB -1.145 17.858 19.000 0.005 0.000 0.818 301 A HN 0.560 nan 8.150 nan 0.000 0.445 302 A N -1.278 121.664 122.820 0.203 0.000 1.969 302 A HA -0.109 4.213 4.320 0.003 0.000 0.218 302 A C 2.277 179.934 177.584 0.121 0.000 1.169 302 A CA 1.502 53.543 52.037 0.007 0.000 0.635 302 A CB -1.192 17.486 19.000 -0.536 0.000 0.810 302 A HN 0.595 nan 8.150 nan 0.000 0.445 303 C N -0.460 119.004 119.300 0.273 0.000 2.413 303 C HA -0.110 4.352 4.460 0.003 0.000 0.276 303 C C 2.740 177.763 174.990 0.055 0.000 1.236 303 C CA 1.433 60.596 59.018 0.243 0.000 1.735 303 C CB -1.033 26.803 27.740 0.160 0.000 2.031 303 C HN 0.631 nan 8.230 nan 0.000 0.474 304 K N 1.107 121.489 120.400 -0.029 0.000 2.026 304 K HA -0.117 4.205 4.320 0.003 0.000 0.208 304 K C 2.281 178.619 176.600 -0.436 0.000 1.048 304 K CA 1.614 57.800 56.287 -0.169 0.000 0.929 304 K CB -0.394 32.035 32.500 -0.118 0.000 0.713 304 K HN 0.471 nan 8.250 nan 0.000 0.439 305 A N 1.480 123.976 122.820 -0.539 0.000 1.917 305 A HA -0.178 4.144 4.320 0.003 0.000 0.219 305 A C 2.318 179.796 177.584 -0.178 0.000 1.182 305 A CA 2.106 53.849 52.037 -0.490 0.000 0.633 305 A CB -0.703 18.206 19.000 -0.151 0.000 0.819 305 A HN 0.369 nan 8.150 nan 0.000 0.448 306 A N -2.222 120.558 122.820 -0.066 0.000 2.123 306 A HA 0.400 4.722 4.320 0.003 0.000 0.214 306 A C 1.893 179.480 177.584 0.006 0.000 1.152 306 A CA 1.294 53.339 52.037 0.012 0.000 0.728 306 A CB -0.828 18.246 19.000 0.124 0.000 0.814 306 A HN 1.993 nan 8.150 nan 0.000 0.464 307 G N -0.520 108.269 108.800 -0.018 0.000 2.160 307 G HA2 -0.188 3.774 3.960 0.003 0.000 0.244 307 G HA3 -0.188 3.774 3.960 0.003 0.000 0.244 307 G C 0.031 174.940 174.900 0.014 0.000 1.022 307 G CA 0.042 45.138 45.100 -0.006 0.000 0.741 307 G HN 0.319 nan 8.290 nan 0.000 0.508 308 I N 0.563 121.154 120.570 0.036 0.000 2.752 308 I HA 0.059 4.231 4.170 0.003 0.000 0.289 308 I C 1.157 177.284 176.117 0.017 0.000 1.197 308 I CA 0.140 61.464 61.300 0.039 0.000 1.432 308 I CB 0.874 38.915 38.000 0.068 0.000 1.359 308 I HN -0.072 nan 8.210 nan 0.000 0.571 309 V N 6.640 126.558 119.914 0.006 0.000 2.348 309 V HA 0.394 4.516 4.120 0.003 0.000 0.270 309 V C 0.734 176.816 176.094 -0.019 0.000 1.037 309 V CA -0.400 61.896 62.300 -0.006 0.000 0.872 309 V CB 0.655 32.471 31.823 -0.010 0.000 1.002 309 V HN 1.016 nan 8.190 nan 0.000 0.464 310 A N 6.274 129.086 122.820 -0.014 0.000 2.546 310 A HA -0.076 4.246 4.320 0.003 0.000 0.295 310 A C -1.815 175.752 177.584 -0.027 0.000 1.455 310 A CA -0.137 51.889 52.037 -0.019 0.000 0.730 310 A CB -1.525 17.456 19.000 -0.031 0.000 1.111 310 A HN 0.623 nan 8.150 nan 0.000 0.411 311 P HA 0.359 nan 4.420 nan 0.000 0.271 311 P C -0.151 177.143 177.300 -0.010 0.000 1.220 311 P CA 0.530 63.613 63.100 -0.028 0.000 0.768 311 P CB 0.948 32.640 31.700 -0.013 0.000 0.848 312 T N 4.730 119.264 114.554 -0.032 0.000 2.809 312 T HA 0.518 4.870 4.350 0.003 0.000 0.284 312 T C 0.175 174.884 174.700 0.014 0.000 0.992 312 T CA -0.389 61.715 62.100 0.008 0.000 0.957 312 T CB 0.571 69.407 68.868 -0.054 0.000 0.942 312 T HN 0.292 nan 8.240 nan 0.000 0.439 313 M N 3.088 122.763 119.600 0.125 0.000 2.578 313 M HA 0.647 5.129 4.480 0.003 0.000 0.321 313 M C -1.215 175.243 176.300 0.263 0.000 1.182 313 M CA -1.198 54.179 55.300 0.128 0.000 0.965 313 M CB 2.128 34.814 32.600 0.145 0.000 1.694 313 M HN 0.338 nan 8.290 nan 0.000 0.461 314 L N 2.569 123.903 121.223 0.186 0.000 2.372 314 L HA 0.641 4.983 4.340 0.003 0.000 0.273 314 L C -1.555 175.358 176.870 0.072 0.000 0.989 314 L CA -0.450 54.505 54.840 0.192 0.000 0.841 314 L CB 1.635 43.817 42.059 0.204 0.000 1.225 314 L HN 0.491 nan 8.230 nan 0.000 0.414 315 V N 4.075 124.018 119.914 0.048 0.000 2.448 315 V HA 0.476 4.598 4.120 0.003 0.000 0.295 315 V C -0.611 175.392 176.094 -0.152 0.000 1.025 315 V CA -0.453 61.858 62.300 0.018 0.000 0.859 315 V CB 1.504 33.416 31.823 0.148 0.000 0.988 315 V HN 0.859 nan 8.190 nan 0.000 0.431 316 C N 4.752 123.907 119.300 -0.240 0.000 2.653 316 C HA 0.761 5.223 4.460 0.003 0.000 0.291 316 C C 1.310 176.205 174.990 -0.159 0.000 1.064 316 C CA -0.028 58.640 59.018 -0.582 0.000 1.469 316 C CB -0.369 26.939 27.740 -0.721 0.000 1.861 316 C HN 1.371 nan 8.230 nan 0.000 0.434 317 G N 4.350 113.233 108.800 0.137 0.000 2.629 317 G HA2 -0.324 3.638 3.960 0.003 0.000 0.313 317 G HA3 -0.324 3.638 3.960 0.003 0.000 0.313 317 G C 0.724 175.526 174.900 -0.163 0.000 1.217 317 G CA 1.077 46.255 45.100 0.130 0.000 0.994 317 G HN 0.739 nan 8.290 nan 0.000 0.549 318 D N 1.220 121.443 120.400 -0.296 0.000 2.340 318 D HA 0.126 4.768 4.640 0.003 0.000 0.220 318 D C 0.381 176.583 176.300 -0.165 0.000 1.039 318 D CA 0.738 54.392 54.000 -0.577 0.000 0.866 318 D CB -0.093 40.306 40.800 -0.669 0.000 0.913 318 D HN 0.413 nan 8.370 nan 0.000 0.523 319 D N 0.717 121.071 120.400 -0.076 0.000 2.295 319 D HA 0.260 4.902 4.640 0.003 0.000 0.248 319 D C -1.019 175.287 176.300 0.011 0.000 1.154 319 D CA -0.525 53.468 54.000 -0.011 0.000 0.857 319 D CB 1.060 41.839 40.800 -0.035 0.000 1.117 319 D HN 0.045 nan 8.370 nan 0.000 0.468 320 L N 4.989 126.260 121.223 0.080 0.000 2.381 320 L HA 0.428 4.770 4.340 0.003 0.000 0.274 320 L C -1.552 175.339 176.870 0.035 0.000 0.988 320 L CA -0.627 54.272 54.840 0.098 0.000 0.824 320 L CB 1.906 44.101 42.059 0.227 0.000 1.263 320 L HN 0.097 nan 8.230 nan 0.000 0.410 321 V N 5.519 125.410 119.914 -0.038 0.000 2.540 321 V HA 0.655 4.777 4.120 0.003 0.000 0.302 321 V C -0.735 175.205 176.094 -0.256 0.000 1.035 321 V CA -0.637 61.577 62.300 -0.143 0.000 0.873 321 V CB 2.113 33.886 31.823 -0.083 0.000 0.992 321 V HN 0.520 nan 8.190 nan 0.000 0.428 322 V N 6.344 125.918 119.914 -0.566 0.000 2.483 322 V HA 0.543 4.665 4.120 0.003 0.000 0.297 322 V C -0.435 175.376 176.094 -0.472 0.000 1.027 322 V CA -0.372 61.559 62.300 -0.614 0.000 0.855 322 V CB 1.742 32.917 31.823 -1.080 0.000 0.995 322 V HN 0.686 nan 8.190 nan 0.000 0.424 323 I N 4.756 125.191 120.570 -0.225 0.000 2.404 323 I HA 0.728 4.900 4.170 0.003 0.000 0.293 323 I C 0.249 176.289 176.117 -0.129 0.000 0.992 323 I CA 0.134 61.364 61.300 -0.116 0.000 1.149 323 I CB 2.044 40.036 38.000 -0.013 0.000 1.315 323 I HN 0.816 nan 8.210 nan 0.000 0.446 324 S N 3.963 119.584 115.700 -0.131 0.000 2.776 324 S HA 0.492 4.964 4.470 0.003 0.000 0.292 324 S C -1.059 173.461 174.600 -0.133 0.000 1.187 324 S CA -1.081 57.054 58.200 -0.109 0.000 0.834 324 S CB 1.719 64.884 63.200 -0.058 0.000 1.199 324 S HN 0.413 nan 8.310 nan 0.000 0.514 325 E N 1.890 122.034 120.200 -0.094 0.000 2.257 325 E HA 0.262 4.614 4.350 0.003 0.000 0.278 325 E C -0.156 176.417 176.600 -0.044 0.000 1.049 325 E CA 0.035 56.381 56.400 -0.089 0.000 0.876 325 E CB 1.428 31.089 29.700 -0.065 0.000 1.035 325 E HN 0.576 nan 8.360 nan 0.000 0.419 326 S N 2.846 118.528 115.700 -0.030 0.000 2.549 326 S HA -0.035 4.437 4.470 0.003 0.000 0.286 326 S C 0.671 175.287 174.600 0.027 0.000 1.314 326 S CA -0.120 58.113 58.200 0.054 0.000 1.062 326 S CB 0.348 63.632 63.200 0.140 0.000 0.865 326 S HN 0.280 nan 8.310 nan 0.000 0.498 327 Q N 2.677 122.501 119.800 0.041 0.000 2.198 327 Q HA 0.303 4.646 4.340 0.003 0.000 0.209 327 Q C 0.800 176.810 176.000 0.017 0.000 0.848 327 Q CA 0.509 56.323 55.803 0.018 0.000 0.974 327 Q CB 0.367 29.115 28.738 0.016 0.000 1.115 327 Q HN 1.026 nan 8.270 nan 0.000 0.494 328 G N -0.170 108.645 108.800 0.025 0.000 2.587 328 G HA2 -0.205 3.757 3.960 0.003 0.000 0.686 328 G HA3 -0.205 3.757 3.960 0.003 0.000 0.686 328 G C 0.511 175.427 174.900 0.027 0.000 1.236 328 G CA -0.300 44.800 45.100 -0.000 0.000 0.820 328 G HN -0.004 nan 8.290 nan 0.000 0.645 329 T N 0.114 114.657 114.554 -0.018 0.000 2.607 329 T HA -0.163 4.189 4.350 0.003 0.000 0.267 329 T C 2.014 176.742 174.700 0.047 0.000 1.049 329 T CA 2.228 64.336 62.100 0.013 0.000 1.162 329 T CB -0.297 68.546 68.868 -0.042 0.000 0.863 329 T HN 0.651 nan 8.240 nan 0.000 0.424 330 E N 0.514 120.725 120.200 0.018 0.000 2.072 330 E HA -0.141 4.211 4.350 0.003 0.000 0.191 330 E C 2.307 178.919 176.600 0.020 0.000 0.985 330 E CA 0.945 57.355 56.400 0.017 0.000 0.801 330 E CB 0.032 29.735 29.700 0.005 0.000 0.750 330 E HN 0.561 nan 8.360 nan 0.000 0.452 331 E N 0.331 120.543 120.200 0.020 0.000 2.106 331 E HA -0.183 4.169 4.350 0.003 0.000 0.192 331 E C 1.743 178.358 176.600 0.025 0.000 0.984 331 E CA 1.074 57.485 56.400 0.019 0.000 0.806 331 E CB 0.004 29.713 29.700 0.015 0.000 0.750 331 E HN 0.267 nan 8.360 nan 0.000 0.458 332 D N 0.867 121.297 120.400 0.050 0.000 2.104 332 D HA -0.159 4.483 4.640 0.003 0.000 0.194 332 D C 1.874 178.181 176.300 0.010 0.000 0.994 332 D CA 0.923 54.954 54.000 0.053 0.000 0.830 332 D CB -0.140 40.745 40.800 0.142 0.000 0.959 332 D HN 0.152 nan 8.370 nan 0.000 0.452 333 E N 0.509 120.724 120.200 0.025 0.000 2.077 333 E HA -0.177 4.175 4.350 0.003 0.000 0.193 333 E C 2.174 178.764 176.600 -0.018 0.000 0.989 333 E CA 0.463 56.862 56.400 -0.002 0.000 0.800 333 E CB -0.152 29.558 29.700 0.016 0.000 0.746 333 E HN 0.299 nan 8.360 nan 0.000 0.452 334 R N 0.961 121.458 120.500 -0.005 0.000 2.080 334 R HA -0.146 4.196 4.340 0.003 0.000 0.236 334 R C 1.845 178.139 176.300 -0.010 0.000 1.137 334 R CA 1.638 57.735 56.100 -0.005 0.000 0.943 334 R CB -0.092 30.208 30.300 0.001 0.000 0.846 334 R HN 0.082 nan 8.270 nan 0.000 0.431 335 N N 0.722 119.416 118.700 -0.010 0.000 2.166 335 N HA -0.156 4.586 4.740 0.003 0.000 0.186 335 N C 1.719 177.216 175.510 -0.023 0.000 1.019 335 N CA 0.916 53.964 53.050 -0.004 0.000 0.856 335 N CB -0.297 38.192 38.487 0.004 0.000 0.993 335 N HN 0.151 nan 8.380 nan 0.000 0.426 336 L N 1.331 122.494 121.223 -0.101 0.000 2.083 336 L HA -0.052 4.290 4.340 0.003 0.000 0.209 336 L C 2.301 179.137 176.870 -0.056 0.000 1.083 336 L CA 1.348 56.059 54.840 -0.214 0.000 0.752 336 L CB -0.325 41.518 42.059 -0.359 0.000 0.899 336 L HN 0.093 nan 8.230 nan 0.000 0.433 337 R N -1.133 119.349 120.500 -0.030 0.000 2.081 337 R HA -0.139 4.203 4.340 0.003 0.000 0.235 337 R C 2.255 178.561 176.300 0.010 0.000 1.131 337 R CA 1.289 57.389 56.100 0.000 0.000 0.960 337 R CB -0.579 29.717 30.300 -0.007 0.000 0.856 337 R HN 0.399 nan 8.270 nan 0.000 0.436 338 A N 0.772 123.599 122.820 0.011 0.000 1.902 338 A HA -0.195 4.127 4.320 0.003 0.000 0.217 338 A C 1.950 179.533 177.584 -0.002 0.000 1.181 338 A CA 1.079 53.116 52.037 -0.000 0.000 0.623 338 A CB -0.633 18.369 19.000 0.004 0.000 0.818 338 A HN 0.376 nan 8.150 nan 0.000 0.443 339 F N 1.422 121.309 119.950 -0.106 0.000 2.095 339 F HA -0.192 4.337 4.527 0.004 0.000 0.298 339 F C 2.467 178.180 175.800 -0.146 0.000 1.104 339 F CA 2.422 60.350 58.000 -0.120 0.000 1.232 339 F CB -0.629 38.298 39.000 -0.123 0.000 0.987 339 F HN 0.209 nan 8.300 nan 0.000 0.475 340 T N 0.070 114.646 114.554 0.036 0.000 2.746 340 T HA -0.193 4.159 4.350 0.003 0.000 0.267 340 T C 1.689 176.335 174.700 -0.089 0.000 1.039 340 T CA 1.775 63.899 62.100 0.039 0.000 1.142 340 T CB -0.362 68.632 68.868 0.211 0.000 0.866 340 T HN 0.400 nan 8.240 nan 0.000 0.444 341 E N 1.051 121.193 120.200 -0.096 0.000 2.110 341 E HA -0.051 4.301 4.350 0.003 0.000 0.193 341 E C 2.515 178.967 176.600 -0.246 0.000 0.988 341 E CA 0.968 57.293 56.400 -0.125 0.000 0.804 341 E CB -0.198 29.450 29.700 -0.086 0.000 0.745 341 E HN 0.489 nan 8.360 nan 0.000 0.458 342 A N 1.193 123.801 122.820 -0.352 0.000 1.873 342 A HA -0.159 4.163 4.320 0.003 0.000 0.215 342 A C 2.159 179.230 177.584 -0.855 0.000 1.186 342 A CA 1.085 52.751 52.037 -0.618 0.000 0.616 342 A CB -0.281 18.404 19.000 -0.526 0.000 0.823 342 A HN 0.098 nan 8.150 nan 0.000 0.442 343 M N -0.082 119.136 119.600 -0.636 0.000 2.106 343 M HA -0.139 4.344 4.480 0.003 0.000 0.259 343 M C 2.199 178.388 176.300 -0.184 0.000 1.068 343 M CA 2.143 57.202 55.300 -0.403 0.000 1.100 343 M CB -1.971 30.304 32.600 -0.541 0.000 1.351 343 M HN 0.462 nan 8.290 nan 0.000 0.404 344 T N 0.173 114.632 114.554 -0.158 0.000 2.684 344 T HA -0.143 4.209 4.350 0.003 0.000 0.267 344 T C 1.937 176.575 174.700 -0.104 0.000 1.036 344 T CA 1.255 63.311 62.100 -0.073 0.000 1.148 344 T CB -0.240 68.598 68.868 -0.051 0.000 0.863 344 T HN 0.396 nan 8.240 nan 0.000 0.436 345 R N 0.041 120.413 120.500 -0.214 0.000 2.120 345 R HA -0.070 4.272 4.340 0.003 0.000 0.234 345 R C 1.730 178.002 176.300 -0.047 0.000 1.123 345 R CA 1.142 57.140 56.100 -0.170 0.000 0.975 345 R CB -0.309 29.842 30.300 -0.247 0.000 0.866 345 R HN 0.437 nan 8.270 nan 0.000 0.446 346 Y N 0.105 120.367 120.300 -0.064 0.000 2.529 346 Y HA 0.109 4.661 4.550 0.003 0.000 0.290 346 Y C 0.844 176.710 175.900 -0.056 0.000 1.177 346 Y CA -0.468 57.586 58.100 -0.076 0.000 1.305 346 Y CB -0.230 38.211 38.460 -0.032 0.000 1.047 346 Y HN -0.048 nan 8.280 nan 0.000 0.522 347 S N -0.079 115.674 115.700 0.087 0.000 3.968 347 S HA -0.079 4.393 4.470 0.003 0.000 0.373 347 S C -0.097 174.533 174.600 0.049 0.000 0.974 347 S CA 0.451 58.683 58.200 0.055 0.000 1.124 347 S CB -1.424 61.794 63.200 0.031 0.000 0.862 347 S HN 0.697 nan 8.310 nan 0.000 0.492 348 A N 2.015 124.885 122.820 0.084 0.000 3.409 348 A HA 0.586 4.908 4.320 0.003 0.000 0.282 348 A C -2.380 175.332 177.584 0.212 0.000 1.064 348 A CA -0.798 51.322 52.037 0.137 0.000 0.889 348 A CB 0.940 20.071 19.000 0.219 0.000 1.251 348 A HN 0.411 nan 8.150 nan 0.000 0.538 349 P HA 0.303 nan 4.420 nan 0.000 0.272 349 P C -2.896 174.451 177.300 0.079 0.000 1.230 349 P CA -1.065 62.091 63.100 0.093 0.000 0.788 349 P CB 0.449 32.139 31.700 -0.016 0.000 0.949 350 P HA 0.120 nan 4.420 nan 0.000 0.282 350 P C 0.735 177.960 177.300 -0.124 0.000 1.249 350 P CA -0.014 62.979 63.100 -0.178 0.000 0.806 350 P CB 0.920 32.532 31.700 -0.148 0.000 0.984 351 G N 1.952 110.668 108.800 -0.140 0.000 2.417 351 G HA2 0.008 3.970 3.960 0.003 0.000 0.212 351 G HA3 0.008 3.970 3.960 0.003 0.000 0.212 351 G C 0.001 174.855 174.900 -0.076 0.000 1.187 351 G CA 0.292 45.344 45.100 -0.081 0.000 0.804 351 G HN 0.497 nan 8.290 nan 0.000 0.534 352 D N 0.653 120.999 120.400 -0.090 0.000 2.481 352 D HA 0.372 5.014 4.640 0.003 0.000 0.244 352 D C -2.770 173.484 176.300 -0.077 0.000 1.057 352 D CA -1.186 52.776 54.000 -0.064 0.000 0.848 352 D CB 2.231 43.006 40.800 -0.041 0.000 1.388 352 D HN -0.055 nan 8.370 nan 0.000 0.475 353 P HA 0.128 nan 4.420 nan 0.000 0.268 353 P C -2.273 175.024 177.300 -0.005 0.000 1.204 353 P CA -0.777 62.313 63.100 -0.017 0.000 0.768 353 P CB -0.220 31.476 31.700 -0.006 0.000 0.842 354 P HA 0.143 nan 4.420 nan 0.000 0.269 354 P C -0.492 176.790 177.300 -0.029 0.000 1.209 354 P CA 0.036 63.161 63.100 0.041 0.000 0.776 354 P CB 0.938 32.660 31.700 0.038 0.000 0.876 355 R N 3.125 123.632 120.500 0.011 0.000 2.534 355 R HA 0.422 4.764 4.340 0.003 0.000 0.301 355 R C -2.506 173.794 176.300 0.001 0.000 0.961 355 R CA -2.297 53.801 56.100 -0.004 0.000 0.871 355 R CB 1.727 32.037 30.300 0.017 0.000 1.170 355 R HN 0.322 nan 8.270 nan 0.000 0.446 356 P HA 0.090 nan 4.420 nan 0.000 0.271 356 P C -1.192 175.973 177.300 -0.226 0.000 1.216 356 P CA 0.092 63.113 63.100 -0.132 0.000 0.771 356 P CB 1.090 32.711 31.700 -0.133 0.000 0.864 357 E N 2.377 122.394 120.200 -0.305 0.000 2.238 357 E HA 0.234 4.586 4.350 0.003 0.000 0.267 357 E C -0.598 175.818 176.600 -0.307 0.000 0.887 357 E CA -0.499 55.777 56.400 -0.207 0.000 0.769 357 E CB 1.497 31.165 29.700 -0.053 0.000 1.187 357 E HN 0.448 nan 8.360 nan 0.000 0.416 358 Y N -0.128 120.301 120.300 0.216 0.000 2.660 358 Y HA 0.195 4.747 4.550 0.004 0.000 0.254 358 Y C 0.097 176.226 175.900 0.382 0.000 1.176 358 Y CA -0.456 57.833 58.100 0.315 0.000 1.195 358 Y CB 0.998 39.552 38.460 0.156 0.000 1.190 358 Y HN 0.258 nan 8.280 nan 0.000 0.535 359 D N 0.337 120.887 120.400 0.250 0.000 2.696 359 D HA 0.121 4.763 4.640 0.003 0.000 0.251 359 D C 0.556 176.596 176.300 -0.433 0.000 1.188 359 D CA -0.414 53.595 54.000 0.014 0.000 0.876 359 D CB 1.835 42.637 40.800 0.004 0.000 1.334 359 D HN 0.115 nan 8.370 nan 0.000 0.540 360 L N 4.678 125.307 121.223 -0.990 0.000 2.127 360 L HA -0.106 4.237 4.340 0.003 0.000 0.211 360 L C 1.881 178.379 176.870 -0.621 0.000 1.089 360 L CA 1.986 56.017 54.840 -1.348 0.000 0.757 360 L CB -0.485 40.604 42.059 -1.617 0.000 0.899 360 L HN 0.639 nan 8.230 nan 0.000 0.434 361 E N -0.792 119.168 120.200 -0.400 0.000 2.418 361 E HA -0.189 4.163 4.350 0.003 0.000 0.197 361 E C 1.820 178.302 176.600 -0.197 0.000 1.026 361 E CA 0.955 57.210 56.400 -0.243 0.000 0.862 361 E CB -0.447 29.157 29.700 -0.160 0.000 0.799 361 E HN 0.601 nan 8.360 nan 0.000 0.518 362 L N 0.947 122.046 121.223 -0.206 0.000 2.558 362 L HA 0.236 4.578 4.340 0.003 0.000 0.225 362 L C 1.106 177.903 176.870 -0.122 0.000 1.128 362 L CA -0.085 54.669 54.840 -0.143 0.000 0.868 362 L CB 0.037 42.032 42.059 -0.105 0.000 1.006 362 L HN 0.078 nan 8.230 nan 0.000 0.454 363 I N 1.038 121.506 120.570 -0.171 0.000 2.416 363 I HA 0.038 4.210 4.170 0.003 0.000 0.288 363 I C 0.664 176.726 176.117 -0.092 0.000 1.051 363 I CA -0.049 61.174 61.300 -0.128 0.000 1.375 363 I CB 1.126 39.020 38.000 -0.176 0.000 1.407 363 I HN 0.103 nan 8.210 nan 0.000 0.516 364 T N 2.088 116.614 114.554 -0.047 0.000 2.799 364 T HA 0.380 4.732 4.350 0.003 0.000 0.286 364 T C -0.202 174.487 174.700 -0.019 0.000 0.973 364 T CA -0.704 61.382 62.100 -0.023 0.000 1.035 364 T CB 1.553 70.421 68.868 -0.000 0.000 0.932 364 T HN 0.508 nan 8.240 nan 0.000 0.469 365 S N 2.515 118.205 115.700 -0.018 0.000 2.596 365 S HA 0.419 4.891 4.470 0.003 0.000 0.318 365 S C 0.404 174.996 174.600 -0.012 0.000 1.097 365 S CA -0.629 57.557 58.200 -0.024 0.000 1.080 365 S CB -0.580 62.595 63.200 -0.042 0.000 0.991 365 S HN 1.175 nan 8.310 nan 0.000 0.471 366 C N 3.826 123.119 119.300 -0.011 0.000 4.235 366 C HA -0.158 4.304 4.460 0.003 0.000 0.301 366 C C 1.306 176.325 174.990 0.048 0.000 1.409 366 C CA 0.691 59.713 59.018 0.006 0.000 2.024 366 C CB -3.283 24.434 27.740 -0.038 0.000 1.286 366 C HN 1.323 nan 8.230 nan 0.000 0.746 367 S N -2.316 113.410 115.700 0.045 0.000 3.084 367 S HA -0.189 4.283 4.470 0.003 0.000 0.277 367 S C 0.343 174.981 174.600 0.063 0.000 1.295 367 S CA 1.363 59.594 58.200 0.051 0.000 1.170 367 S CB -0.806 62.430 63.200 0.060 0.000 1.412 367 S HN 1.004 nan 8.310 nan 0.000 0.669 368 S N 2.268 118.016 115.700 0.079 0.000 2.621 368 S HA 0.745 5.217 4.470 0.003 0.000 0.302 368 S C -0.146 174.486 174.600 0.053 0.000 1.093 368 S CA -0.822 57.447 58.200 0.116 0.000 1.017 368 S CB 1.498 64.818 63.200 0.200 0.000 1.077 368 S HN 0.609 nan 8.310 nan 0.000 0.517 369 N N -0.620 118.109 118.700 0.048 0.000 2.455 369 N HA 0.406 5.148 4.740 0.003 0.000 0.278 369 N C -1.421 174.059 175.510 -0.050 0.000 1.291 369 N CA -0.653 52.387 53.050 -0.017 0.000 0.780 369 N CB 0.918 39.392 38.487 -0.021 0.000 1.520 369 N HN 0.299 nan 8.380 nan 0.000 0.486 370 V N 0.515 120.367 119.914 -0.103 0.000 2.614 370 V HA 0.317 4.439 4.120 0.003 0.000 0.291 370 V C 0.629 176.630 176.094 -0.155 0.000 1.049 370 V CA 0.010 62.233 62.300 -0.129 0.000 1.038 370 V CB 0.708 32.446 31.823 -0.141 0.000 0.980 370 V HN 0.820 nan 8.190 nan 0.000 0.481 371 S N 3.225 118.743 115.700 -0.304 0.000 2.667 371 S HA 0.827 5.300 4.470 0.003 0.000 0.292 371 S C -1.189 173.218 174.600 -0.322 0.000 1.126 371 S CA -0.532 57.463 58.200 -0.340 0.000 0.881 371 S CB 2.071 64.969 63.200 -0.503 0.000 1.132 371 S HN 0.676 nan 8.310 nan 0.000 0.492 372 V N 1.249 121.070 119.914 -0.155 0.000 2.841 372 V HA 0.970 5.092 4.120 0.003 0.000 0.310 372 V C -0.458 175.619 176.094 -0.028 0.000 1.090 372 V CA 0.200 62.392 62.300 -0.181 0.000 0.930 372 V CB 1.378 32.980 31.823 -0.370 0.000 1.014 372 V HN 1.316 nan 8.190 nan 0.000 0.425 373 A N 5.374 128.143 122.820 -0.084 0.000 2.567 373 A HA 0.897 5.219 4.320 0.003 0.000 0.289 373 A C -1.706 175.667 177.584 -0.351 0.000 1.177 373 A CA -0.830 51.066 52.037 -0.235 0.000 0.694 373 A CB 1.567 20.309 19.000 -0.430 0.000 1.292 373 A HN 0.852 nan 8.150 nan 0.000 0.425 374 L N 0.851 121.776 121.223 -0.497 0.000 2.309 374 L HA 0.620 4.962 4.340 0.003 0.000 0.282 374 L C 0.951 177.437 176.870 -0.641 0.000 1.036 374 L CA -0.540 53.971 54.840 -0.549 0.000 0.806 374 L CB 1.512 43.211 42.059 -0.600 0.000 1.220 374 L HN 0.937 nan 8.230 nan 0.000 0.429 375 G N 2.242 110.835 108.800 -0.345 0.000 2.606 375 G HA2 0.511 4.473 3.960 0.003 0.000 0.262 375 G HA3 0.511 4.473 3.960 0.003 0.000 0.262 375 G C -2.714 172.183 174.900 -0.005 0.000 1.394 375 G CA -1.307 43.685 45.100 -0.181 0.000 1.044 375 G HN 0.333 nan 8.290 nan 0.000 0.553 376 P HA 0.163 nan 4.420 nan 0.000 0.265 376 P C -0.189 177.155 177.300 0.072 0.000 1.193 376 P CA 0.251 63.408 63.100 0.095 0.000 0.765 376 P CB 0.394 32.125 31.700 0.051 0.000 0.823 377 R N 2.466 123.019 120.500 0.087 0.000 3.651 377 R HA -0.215 4.127 4.340 0.003 0.000 0.292 377 R C 1.090 177.419 176.300 0.049 0.000 1.161 377 R CA 0.522 56.655 56.100 0.055 0.000 0.787 377 R CB -2.798 27.520 30.300 0.031 0.000 1.249 377 R HN 0.936 nan 8.270 nan 0.000 0.476 378 G N 0.445 109.289 108.800 0.073 0.000 2.184 378 G HA2 -0.439 3.523 3.960 0.003 0.000 0.264 378 G HA3 -0.439 3.523 3.960 0.003 0.000 0.264 378 G C 0.261 175.140 174.900 -0.035 0.000 0.975 378 G CA 0.678 45.796 45.100 0.030 0.000 0.642 378 G HN 0.674 nan 8.290 nan 0.000 0.536 379 R N 0.599 121.077 120.500 -0.038 0.000 2.537 379 R HA 0.495 4.837 4.340 0.003 0.000 0.280 379 R C 0.289 176.524 176.300 -0.109 0.000 1.058 379 R CA -0.514 55.556 56.100 -0.050 0.000 1.057 379 R CB 0.669 30.953 30.300 -0.026 0.000 0.973 379 R HN 0.254 nan 8.270 nan 0.000 0.438 380 R N 2.739 123.170 120.500 -0.115 0.000 2.442 380 R HA 0.157 4.499 4.340 0.003 0.000 0.291 380 R C -0.208 175.945 176.300 -0.245 0.000 1.069 380 R CA -0.309 55.655 56.100 -0.226 0.000 1.022 380 R CB 0.466 30.619 30.300 -0.245 0.000 0.976 380 R HN 0.492 nan 8.270 nan 0.000 0.443 381 R N 3.195 123.508 120.500 -0.312 0.000 2.439 381 R HA 0.276 4.618 4.340 0.003 0.000 0.310 381 R C -0.860 175.324 176.300 -0.193 0.000 0.955 381 R CA -0.855 55.138 56.100 -0.179 0.000 0.853 381 R CB 1.128 31.355 30.300 -0.121 0.000 1.171 381 R HN 0.494 nan 8.270 nan 0.000 0.449 382 Y N 3.293 123.641 120.300 0.081 0.000 2.334 382 Y HA 0.381 4.933 4.550 0.003 0.000 0.328 382 Y C 0.358 176.364 175.900 0.176 0.000 1.130 382 Y CA -0.286 57.859 58.100 0.075 0.000 1.163 382 Y CB 1.068 39.521 38.460 -0.012 0.000 1.207 382 Y HN 0.525 nan 8.280 nan 0.000 0.471 383 Y N -0.025 120.354 120.300 0.132 0.000 2.689 383 Y HA 0.633 5.185 4.550 0.003 0.000 0.333 383 Y C -2.263 173.705 175.900 0.113 0.000 1.208 383 Y CA -1.933 56.225 58.100 0.097 0.000 1.055 383 Y CB 0.557 39.047 38.460 0.050 0.000 1.304 383 Y HN 0.435 nan 8.280 nan 0.000 0.455 384 L N 2.630 123.972 121.223 0.198 0.000 2.290 384 L HA 0.847 5.189 4.340 0.003 0.000 0.284 384 L C -0.165 176.908 176.870 0.340 0.000 1.078 384 L CA -0.069 54.865 54.840 0.156 0.000 0.815 384 L CB 0.599 42.752 42.059 0.157 0.000 1.162 384 L HN 0.962 nan 8.230 nan 0.000 0.435 385 A N 5.581 128.534 122.820 0.221 0.000 2.387 385 A HA 1.015 5.337 4.320 0.003 0.000 0.303 385 A C -0.793 176.913 177.584 0.203 0.000 1.145 385 A CA -0.660 51.550 52.037 0.288 0.000 0.801 385 A CB 1.462 20.531 19.000 0.116 0.000 1.342 385 A HN 0.821 nan 8.150 nan 0.000 0.440 386 R N 0.103 120.637 120.500 0.055 0.000 2.766 386 R HA 0.475 4.817 4.340 0.003 0.000 0.270 386 R C -1.472 174.723 176.300 -0.175 0.000 1.035 386 R CA -0.813 55.237 56.100 -0.083 0.000 0.911 386 R CB 0.789 30.951 30.300 -0.229 0.000 1.243 386 R HN 0.574 nan 8.270 nan 0.000 0.460 387 D N 1.387 121.663 120.400 -0.207 0.000 2.390 387 D HA 0.092 4.734 4.640 0.003 0.000 0.249 387 D C -1.450 174.524 176.300 -0.544 0.000 1.144 387 D CA -1.582 52.238 54.000 -0.300 0.000 0.880 387 D CB 1.420 42.112 40.800 -0.181 0.000 1.182 387 D HN 0.352 nan 8.370 nan 0.000 0.451 388 P HA 0.017 nan 4.420 nan 0.000 0.255 388 P C 1.099 177.994 177.300 -0.674 0.000 1.248 388 P CA 0.128 62.473 63.100 -1.258 0.000 0.807 388 P CB 0.416 31.141 31.700 -1.625 0.000 1.150 389 T N -0.079 114.236 114.554 -0.398 0.000 2.674 389 T HA -0.119 4.233 4.350 0.003 0.000 0.265 389 T C 1.811 176.412 174.700 -0.165 0.000 1.039 389 T CA 2.280 64.248 62.100 -0.221 0.000 1.150 389 T CB -1.141 67.654 68.868 -0.121 0.000 0.864 389 T HN 0.177 nan 8.240 nan 0.000 0.427 390 T N 2.368 116.837 114.554 -0.143 0.000 2.708 390 T HA -0.064 4.288 4.350 0.003 0.000 0.266 390 T C -0.557 174.071 174.700 -0.119 0.000 1.037 390 T CA 1.246 63.288 62.100 -0.096 0.000 1.146 390 T CB -1.254 67.595 68.868 -0.032 0.000 0.865 390 T HN 0.330 nan 8.240 nan 0.000 0.435 391 P HA -0.011 nan 4.420 nan 0.000 0.215 391 P C 1.540 178.842 177.300 0.003 0.000 1.153 391 P CA 0.938 64.002 63.100 -0.060 0.000 0.853 391 P CB -0.199 31.402 31.700 -0.165 0.000 0.788 392 L N -1.349 119.813 121.223 -0.101 0.000 2.056 392 L HA -0.142 4.200 4.340 0.003 0.000 0.207 392 L C 2.481 179.361 176.870 0.018 0.000 1.078 392 L CA 1.497 56.316 54.840 -0.035 0.000 0.749 392 L CB -1.166 40.825 42.059 -0.114 0.000 0.901 392 L HN -0.052 nan 8.230 nan 0.000 0.433 393 A N 0.314 123.133 122.820 -0.001 0.000 1.902 393 A HA -0.203 4.119 4.320 0.003 0.000 0.217 393 A C 2.382 180.023 177.584 0.094 0.000 1.181 393 A CA 1.496 53.559 52.037 0.044 0.000 0.623 393 A CB -0.452 18.552 19.000 0.006 0.000 0.818 393 A HN 0.328 nan 8.150 nan 0.000 0.443 394 R N -0.543 119.987 120.500 0.050 0.000 2.092 394 R HA -0.021 4.321 4.340 0.003 0.000 0.231 394 R C 2.462 178.924 176.300 0.270 0.000 1.119 394 R CA 1.047 57.208 56.100 0.101 0.000 0.970 394 R CB -0.473 29.833 30.300 0.011 0.000 0.864 394 R HN 0.507 nan 8.270 nan 0.000 0.440 395 A N 1.581 124.576 122.820 0.292 0.000 1.908 395 A HA -0.151 4.171 4.320 0.003 0.000 0.218 395 A C 2.409 180.203 177.584 0.351 0.000 1.181 395 A CA 1.769 54.085 52.037 0.465 0.000 0.627 395 A CB -0.637 18.659 19.000 0.494 0.000 0.818 395 A HN 0.393 nan 8.150 nan 0.000 0.445 396 A N -1.346 121.594 122.820 0.200 0.000 1.877 396 A HA -0.198 4.124 4.320 0.003 0.000 0.216 396 A C 2.116 179.832 177.584 0.220 0.000 1.186 396 A CA 1.453 53.575 52.037 0.142 0.000 0.620 396 A CB -0.904 18.157 19.000 0.103 0.000 0.822 396 A HN 0.842 nan 8.150 nan 0.000 0.443 397 W N 1.076 122.434 121.300 0.097 0.000 2.358 397 W HA -0.145 4.517 4.660 0.003 0.000 0.303 397 W C 1.608 178.209 176.519 0.136 0.000 1.208 397 W CA 1.937 59.338 57.345 0.093 0.000 1.274 397 W CB -0.290 29.204 29.460 0.056 0.000 1.138 397 W HN 0.562 nan 8.180 nan 0.000 0.515 398 E N -0.830 119.666 120.200 0.495 0.000 2.418 398 E HA -0.113 4.239 4.350 0.003 0.000 0.197 398 E C 1.926 178.759 176.600 0.389 0.000 1.026 398 E CA 1.352 58.035 56.400 0.472 0.000 0.862 398 E CB -0.100 29.936 29.700 0.560 0.000 0.799 398 E HN 0.102 nan 8.360 nan 0.000 0.518 399 T N 0.203 114.936 114.554 0.299 0.000 2.857 399 T HA -0.085 4.267 4.350 0.003 0.000 0.266 399 T C 1.928 176.684 174.700 0.093 0.000 1.048 399 T CA 0.855 63.062 62.100 0.179 0.000 1.139 399 T CB 0.146 69.097 68.868 0.140 0.000 0.874 399 T HN 0.082 nan 8.240 nan 0.000 0.455 400 V N 0.274 120.210 119.914 0.036 0.000 2.949 400 V HA 0.295 4.417 4.120 0.003 0.000 0.245 400 V C 0.072 176.136 176.094 -0.050 0.000 1.086 400 V CA 0.433 62.704 62.300 -0.049 0.000 1.097 400 V CB 0.037 31.774 31.823 -0.144 0.000 0.762 400 V HN 0.134 nan 8.190 nan 0.000 0.470 401 R N 1.619 122.098 120.500 -0.035 0.000 2.371 401 R HA 0.318 4.660 4.340 0.003 0.000 0.312 401 R C -0.581 175.850 176.300 0.219 0.000 0.980 401 R CA -0.475 55.651 56.100 0.043 0.000 0.867 401 R CB 0.466 30.736 30.300 -0.051 0.000 1.163 401 R HN 0.606 nan 8.270 nan 0.000 0.492 402 H N 1.737 120.881 119.070 0.123 0.000 2.964 402 H HA 0.120 4.678 4.556 0.004 0.000 0.328 402 H C -0.747 174.671 175.328 0.149 0.000 1.030 402 H CA 0.505 56.646 56.048 0.155 0.000 1.445 402 H CB 0.816 30.649 29.762 0.118 0.000 1.449 402 H HN 0.339 nan 8.280 nan 0.000 0.581 403 S N 7.371 122.957 115.700 -0.190 0.000 2.480 403 S HA 0.128 4.600 4.470 0.003 0.000 0.286 403 S C -1.385 172.835 174.600 -0.633 0.000 1.180 403 S CA -1.326 56.712 58.200 -0.271 0.000 1.075 403 S CB 1.817 64.994 63.200 -0.038 0.000 0.996 403 S HN 0.698 nan 8.310 nan 0.000 0.487 404 P HA -0.018 nan 4.420 nan 0.000 0.218 404 P C -0.071 177.002 177.300 -0.379 0.000 1.148 404 P CA 1.120 63.855 63.100 -0.608 0.000 0.822 404 P CB 0.001 31.198 31.700 -0.838 0.000 0.784 405 I N 0.870 121.287 120.570 -0.255 0.000 2.466 405 I HA 0.195 4.367 4.170 0.003 0.000 0.279 405 I C 0.323 176.396 176.117 -0.073 0.000 1.033 405 I CA -1.550 59.675 61.300 -0.125 0.000 1.123 405 I CB 0.601 38.537 38.000 -0.107 0.000 1.237 405 I HN -0.036 nan 8.210 nan 0.000 0.460 406 N N 3.474 122.144 118.700 -0.049 0.000 2.476 406 N HA 0.378 5.121 4.740 0.003 0.000 0.287 406 N C 0.724 176.202 175.510 -0.054 0.000 1.262 406 N CA -0.178 52.845 53.050 -0.045 0.000 0.980 406 N CB 0.869 39.289 38.487 -0.112 0.000 1.163 406 N HN 0.396 nan 8.380 nan 0.000 0.592 407 S N -2.700 112.972 115.700 -0.047 0.000 2.593 407 S HA 0.027 4.499 4.470 0.003 0.000 0.235 407 S C 1.417 176.001 174.600 -0.028 0.000 1.059 407 S CA -0.451 57.751 58.200 0.003 0.000 0.953 407 S CB -0.725 62.510 63.200 0.059 0.000 0.897 407 S HN 0.766 nan 8.310 nan 0.000 0.507 408 W N 1.644 122.901 121.300 -0.071 0.000 2.363 408 W HA 0.025 4.687 4.660 0.003 0.000 0.296 408 W C 1.419 177.790 176.519 -0.247 0.000 1.212 408 W CA 0.389 57.629 57.345 -0.174 0.000 1.260 408 W CB -0.923 28.222 29.460 -0.525 0.000 1.131 408 W HN 0.362 nan 8.180 nan 0.000 0.530 409 L N 2.816 123.399 121.223 -1.066 0.000 2.093 409 L HA 0.150 4.492 4.340 0.003 0.000 0.208 409 L C 2.675 179.058 176.870 -0.812 0.000 1.085 409 L CA 2.598 56.771 54.840 -1.112 0.000 0.755 409 L CB -1.382 39.724 42.059 -1.589 0.000 0.904 409 L HN 0.054 nan 8.230 nan 0.000 0.435 410 G N -0.944 107.502 108.800 -0.590 0.000 2.422 410 G HA2 -0.314 3.648 3.960 0.003 0.000 0.218 410 G HA3 -0.314 3.648 3.960 0.003 0.000 0.218 410 G C 1.428 176.333 174.900 0.009 0.000 1.146 410 G CA 1.023 46.020 45.100 -0.172 0.000 0.769 410 G HN 0.541 nan 8.290 nan 0.000 0.547 411 N N -0.033 118.726 118.700 0.098 0.000 2.216 411 N HA 0.037 4.779 4.740 0.003 0.000 0.183 411 N C 2.141 177.762 175.510 0.185 0.000 1.017 411 N CA 0.518 53.751 53.050 0.306 0.000 0.861 411 N CB -0.095 38.656 38.487 0.440 0.000 0.986 411 N HN 0.277 nan 8.380 nan 0.000 0.428 412 I N 0.841 121.456 120.570 0.075 0.000 2.208 412 I HA -0.264 3.908 4.170 0.003 0.000 0.245 412 I C 1.847 177.967 176.117 0.005 0.000 1.097 412 I CA 1.143 62.463 61.300 0.033 0.000 1.363 412 I CB -0.196 37.862 38.000 0.096 0.000 1.051 412 I HN 0.175 nan 8.210 nan 0.000 0.413 413 I N 0.097 120.658 120.570 -0.015 0.000 2.233 413 I HA -0.281 3.891 4.170 0.003 0.000 0.243 413 I C 2.562 178.789 176.117 0.183 0.000 1.093 413 I CA 1.392 62.739 61.300 0.078 0.000 1.380 413 I CB -0.358 37.660 38.000 0.031 0.000 1.067 413 I HN 0.271 nan 8.210 nan 0.000 0.413 414 Q N -0.286 119.564 119.800 0.084 0.000 2.119 414 Q HA -0.146 4.196 4.340 0.003 0.000 0.201 414 Q C 0.753 176.581 176.000 -0.287 0.000 0.972 414 Q CA 1.393 57.162 55.803 -0.056 0.000 0.847 414 Q CB 0.071 28.667 28.738 -0.237 0.000 0.903 414 Q HN 0.533 nan 8.270 nan 0.000 0.433 415 Y N -1.052 119.254 120.300 0.011 0.000 2.720 415 Y HA 0.382 4.934 4.550 0.003 0.000 0.277 415 Y C 1.363 177.011 175.900 -0.420 0.000 1.144 415 Y CA -0.251 57.745 58.100 -0.174 0.000 1.221 415 Y CB -0.077 38.248 38.460 -0.225 0.000 1.163 415 Y HN 0.067 nan 8.280 nan 0.000 0.537 416 A N 1.061 123.674 122.820 -0.345 0.000 1.927 416 A HA -0.189 4.133 4.320 0.003 0.000 0.220 416 A C -0.399 176.908 177.584 -0.463 0.000 1.185 416 A CA 1.802 53.604 52.037 -0.392 0.000 0.639 416 A CB -1.400 17.393 19.000 -0.346 0.000 0.820 416 A HN 0.283 nan 8.150 nan 0.000 0.451 417 P HA 0.034 nan 4.420 nan 0.000 0.241 417 P C 0.609 177.622 177.300 -0.477 0.000 1.191 417 P CA 1.138 63.908 63.100 -0.550 0.000 0.771 417 P CB -0.420 30.847 31.700 -0.720 0.000 0.929 418 T N -2.888 111.408 114.554 -0.430 0.000 2.898 418 T HA 0.148 4.500 4.350 0.003 0.000 0.301 418 T C 1.255 175.583 174.700 -0.620 0.000 1.049 418 T CA -0.587 61.267 62.100 -0.410 0.000 1.095 418 T CB 0.566 69.059 68.868 -0.626 0.000 0.976 418 T HN -0.101 nan 8.240 nan 0.000 0.539 419 I N 1.771 121.867 120.570 -0.789 0.000 2.286 419 I HA -0.073 4.099 4.170 0.003 0.000 0.248 419 I C 2.113 177.922 176.117 -0.515 0.000 1.115 419 I CA 1.248 62.027 61.300 -0.868 0.000 1.392 419 I CB -0.157 37.188 38.000 -1.091 0.000 1.065 419 I HN 0.890 nan 8.210 nan 0.000 0.418 420 W N 0.024 121.101 121.300 -0.371 0.000 2.418 420 W HA -0.046 4.616 4.660 0.003 0.000 0.292 420 W C 1.934 178.307 176.519 -0.244 0.000 1.213 420 W CA 0.651 57.811 57.345 -0.308 0.000 1.283 420 W CB -1.661 27.650 29.460 -0.248 0.000 1.119 420 W HN -0.043 nan 8.180 nan 0.000 0.542 421 V N 2.522 121.974 119.914 -0.769 0.000 2.295 421 V HA -0.283 3.839 4.120 0.003 0.000 0.246 421 V C 2.905 178.835 176.094 -0.273 0.000 1.049 421 V CA 2.400 64.395 62.300 -0.508 0.000 1.024 421 V CB -0.781 30.648 31.823 -0.657 0.000 0.648 421 V HN 0.077 nan 8.190 nan 0.000 0.447 422 R N -0.576 119.693 120.500 -0.386 0.000 2.066 422 R HA -0.075 4.267 4.340 0.003 0.000 0.232 422 R C 2.242 178.334 176.300 -0.347 0.000 1.131 422 R CA 1.652 57.535 56.100 -0.363 0.000 0.955 422 R CB -0.304 29.670 30.300 -0.543 0.000 0.851 422 R HN 0.436 nan 8.270 nan 0.000 0.432 423 M N -0.464 118.821 119.600 -0.525 0.000 2.394 423 M HA -0.016 4.466 4.480 0.003 0.000 0.266 423 M C 1.793 178.028 176.300 -0.107 0.000 1.098 423 M CA 0.886 55.945 55.300 -0.403 0.000 1.149 423 M CB 0.536 32.810 32.600 -0.543 0.000 1.369 423 M HN -0.018 nan 8.290 nan 0.000 0.450 424 V N -0.294 119.419 119.914 -0.335 0.000 2.735 424 V HA 0.006 4.128 4.120 0.003 0.000 0.234 424 V C 2.095 177.989 176.094 -0.334 0.000 1.121 424 V CA 0.478 62.313 62.300 -0.774 0.000 1.160 424 V CB -0.432 30.841 31.823 -0.916 0.000 0.908 424 V HN 0.320 nan 8.190 nan 0.000 0.495 425 L N -0.492 120.712 121.223 -0.031 0.000 2.017 425 L HA -0.185 4.157 4.340 0.003 0.000 0.208 425 L C 2.609 179.722 176.870 0.405 0.000 1.073 425 L CA 1.875 56.871 54.840 0.259 0.000 0.745 425 L CB -0.487 41.790 42.059 0.364 0.000 0.894 425 L HN 0.344 nan 8.230 nan 0.000 0.432 426 M N -0.848 118.962 119.600 0.350 0.000 2.117 426 M HA -0.181 4.301 4.480 0.003 0.000 0.262 426 M C 2.280 179.052 176.300 0.787 0.000 1.065 426 M CA 1.969 57.595 55.300 0.543 0.000 1.114 426 M CB -0.665 32.098 32.600 0.272 0.000 1.361 426 M HN 0.253 nan 8.290 nan 0.000 0.408 427 T N -1.317 113.663 114.554 0.710 0.000 2.708 427 T HA -0.215 4.137 4.350 0.003 0.000 0.266 427 T C 1.656 176.641 174.700 0.475 0.000 1.037 427 T CA 1.868 64.382 62.100 0.689 0.000 1.146 427 T CB -0.514 68.787 68.868 0.721 0.000 0.865 427 T HN 0.467 nan 8.240 nan 0.000 0.435 428 H N 0.334 119.557 119.070 0.255 0.000 2.326 428 H HA 0.018 4.576 4.556 0.003 0.000 0.301 428 H C 1.740 176.955 175.328 -0.189 0.000 1.081 428 H CA 1.515 57.579 56.048 0.026 0.000 1.334 428 H CB -0.471 29.161 29.762 -0.217 0.000 1.385 428 H HN 0.346 nan 8.280 nan 0.000 0.504 429 F N -1.133 118.764 119.950 -0.088 0.000 2.293 429 F HA 0.014 4.543 4.527 0.003 0.000 0.297 429 F C 1.910 177.544 175.800 -0.276 0.000 1.089 429 F CA 0.504 58.252 58.000 -0.421 0.000 1.377 429 F CB -0.478 38.057 39.000 -0.774 0.000 1.051 429 F HN 0.136 nan 8.300 nan 0.000 0.511 430 F N -0.489 119.580 119.950 0.197 0.000 2.234 430 F HA -0.194 4.335 4.527 0.004 0.000 0.299 430 F C 2.747 178.574 175.800 0.046 0.000 1.087 430 F CA 1.502 59.608 58.000 0.177 0.000 1.340 430 F CB -0.940 38.245 39.000 0.309 0.000 1.031 430 F HN -0.081 nan 8.300 nan 0.000 0.500 431 S N 0.292 116.070 115.700 0.130 0.000 2.356 431 S HA -0.154 4.318 4.470 0.003 0.000 0.223 431 S C 2.192 176.743 174.600 -0.082 0.000 1.032 431 S CA 1.232 59.434 58.200 0.003 0.000 1.005 431 S CB -0.347 62.840 63.200 -0.023 0.000 0.867 431 S HN 0.177 nan 8.310 nan 0.000 0.449 432 I N 1.807 122.249 120.570 -0.214 0.000 2.226 432 I HA -0.118 4.054 4.170 0.003 0.000 0.245 432 I C 2.317 178.371 176.117 -0.105 0.000 1.100 432 I CA 1.164 62.324 61.300 -0.233 0.000 1.374 432 I CB -1.426 36.324 38.000 -0.417 0.000 1.057 432 I HN 0.371 nan 8.210 nan 0.000 0.413 433 L N -0.514 120.666 121.223 -0.071 0.000 2.083 433 L HA -0.224 4.118 4.340 0.003 0.000 0.209 433 L C 2.664 179.545 176.870 0.018 0.000 1.083 433 L CA 1.297 56.129 54.840 -0.014 0.000 0.752 433 L CB -0.421 41.621 42.059 -0.028 0.000 0.899 433 L HN 0.220 nan 8.230 nan 0.000 0.433 434 M N -1.189 118.430 119.600 0.032 0.000 2.200 434 M HA -0.151 4.331 4.480 0.003 0.000 0.265 434 M C 2.314 178.616 176.300 0.004 0.000 1.066 434 M CA 1.162 56.483 55.300 0.034 0.000 1.127 434 M CB -0.219 32.407 32.600 0.045 0.000 1.379 434 M HN 0.058 nan 8.290 nan 0.000 0.420 435 V N 0.469 120.372 119.914 -0.019 0.000 2.332 435 V HA -0.295 3.827 4.120 0.003 0.000 0.248 435 V C 2.045 178.127 176.094 -0.020 0.000 1.055 435 V CA 1.845 64.128 62.300 -0.028 0.000 1.038 435 V CB -0.720 31.072 31.823 -0.050 0.000 0.651 435 V HN 0.549 nan 8.190 nan 0.000 0.450 436 Q N -1.137 118.651 119.800 -0.019 0.000 2.389 436 Q HA -0.033 4.309 4.340 0.003 0.000 0.204 436 Q C 0.782 176.782 176.000 0.000 0.000 0.944 436 Q CA 0.544 56.339 55.803 -0.013 0.000 0.908 436 Q CB 0.121 28.848 28.738 -0.017 0.000 1.002 436 Q HN 0.646 nan 8.270 nan 0.000 0.493 437 D N 0.447 120.853 120.400 0.009 0.000 2.723 437 D HA -0.135 4.507 4.640 0.003 0.000 0.236 437 D C -0.328 175.988 176.300 0.027 0.000 1.138 437 D CA 1.353 55.365 54.000 0.020 0.000 0.676 437 D CB -1.145 39.664 40.800 0.015 0.000 1.069 437 D HN 0.428 nan 8.370 nan 0.000 0.430 438 T N -3.154 111.420 114.554 0.032 0.000 3.339 438 T HA 0.319 4.671 4.350 0.003 0.000 0.292 438 T C 2.035 176.771 174.700 0.060 0.000 1.012 438 T CA -0.266 61.858 62.100 0.041 0.000 0.937 438 T CB -0.321 68.565 68.868 0.030 0.000 1.164 438 T HN 0.222 nan 8.240 nan 0.000 0.509 439 L N 0.720 121.985 121.223 0.071 0.000 2.043 439 L HA -0.055 4.287 4.340 0.003 0.000 0.212 439 L C 1.862 178.793 176.870 0.103 0.000 1.075 439 L CA 1.650 56.549 54.840 0.099 0.000 0.752 439 L CB -0.214 41.926 42.059 0.135 0.000 0.891 439 L HN 0.354 nan 8.230 nan 0.000 0.432 440 D N -0.252 120.201 120.400 0.089 0.000 2.706 440 D HA 0.069 4.711 4.640 0.003 0.000 0.236 440 D C -0.143 176.204 176.300 0.079 0.000 1.231 440 D CA 0.021 54.073 54.000 0.086 0.000 0.828 440 D CB 0.182 41.025 40.800 0.073 0.000 1.015 440 D HN 0.232 nan 8.370 nan 0.000 0.484 441 Q N 0.247 120.098 119.800 0.084 0.000 2.333 441 Q HA 0.350 4.692 4.340 0.003 0.000 0.267 441 Q C -0.606 175.455 176.000 0.103 0.000 1.012 441 Q CA -0.994 54.860 55.803 0.085 0.000 0.824 441 Q CB 1.463 30.246 28.738 0.075 0.000 1.290 441 Q HN 0.031 nan 8.270 nan 0.000 0.449 442 N N 1.820 120.586 118.700 0.111 0.000 2.412 442 N HA 0.143 4.886 4.740 0.003 0.000 0.254 442 N C -1.099 174.500 175.510 0.147 0.000 1.232 442 N CA 0.619 53.750 53.050 0.135 0.000 0.880 442 N CB 0.449 39.023 38.487 0.145 0.000 1.076 442 N HN 0.368 nan 8.380 nan 0.000 0.458 443 L N 1.851 123.170 121.223 0.160 0.000 2.381 443 L HA 0.464 4.806 4.340 0.003 0.000 0.268 443 L C -0.364 176.638 176.870 0.220 0.000 0.997 443 L CA -1.047 53.889 54.840 0.160 0.000 0.818 443 L CB 1.685 43.788 42.059 0.073 0.000 1.310 443 L HN 0.438 nan 8.230 nan 0.000 0.416 444 N N 2.470 121.281 118.700 0.184 0.000 2.456 444 N HA 0.620 5.362 4.740 0.003 0.000 0.288 444 N C -0.989 174.607 175.510 0.143 0.000 1.059 444 N CA -0.113 53.031 53.050 0.156 0.000 0.946 444 N CB 1.845 40.397 38.487 0.108 0.000 1.150 444 N HN 0.374 nan 8.380 nan 0.000 0.479 445 F N -1.429 118.494 119.950 -0.044 0.000 2.662 445 F HA 0.597 5.126 4.527 0.004 0.000 0.312 445 F C -0.267 175.525 175.800 -0.014 0.000 1.113 445 F CA -1.403 56.533 58.000 -0.106 0.000 0.951 445 F CB 1.107 39.970 39.000 -0.227 0.000 1.344 445 F HN 0.155 nan 8.300 nan 0.000 0.462 446 E N 1.993 122.254 120.200 0.102 0.000 2.175 446 E HA 0.623 4.975 4.350 0.003 0.000 0.278 446 E C -1.415 175.308 176.600 0.204 0.000 0.969 446 E CA -0.511 55.928 56.400 0.064 0.000 0.796 446 E CB 1.459 31.189 29.700 0.050 0.000 1.104 446 E HN 0.826 nan 8.360 nan 0.000 0.395 447 M N 5.320 125.048 119.600 0.214 0.000 2.284 447 M HA 0.270 4.752 4.480 0.003 0.000 0.281 447 M C -1.195 175.383 176.300 0.463 0.000 1.083 447 M CA -0.370 55.119 55.300 0.315 0.000 0.965 447 M CB 0.738 33.428 32.600 0.149 0.000 1.717 447 M HN 0.716 nan 8.290 nan 0.000 0.479 448 Y N 2.002 122.404 120.300 0.169 0.000 2.836 448 Y HA -0.322 4.230 4.550 0.003 0.000 0.470 448 Y C 1.273 177.200 175.900 0.045 0.000 1.156 448 Y CA 2.268 60.477 58.100 0.182 0.000 2.676 448 Y CB -1.618 36.979 38.460 0.228 0.000 1.184 448 Y HN 0.806 nan 8.280 nan 0.000 0.622 449 G N -0.543 108.335 108.800 0.130 0.000 3.596 449 G HA2 0.437 4.399 3.960 0.003 0.000 0.274 449 G HA3 0.437 4.399 3.960 0.003 0.000 0.274 449 G C -0.358 174.514 174.900 -0.047 0.000 1.007 449 G CA 0.800 45.874 45.100 -0.044 0.000 0.825 449 G HN 0.508 nan 8.290 nan 0.000 0.508 450 S N -0.248 115.430 115.700 -0.038 0.000 2.542 450 S HA 0.631 5.103 4.470 0.003 0.000 0.293 450 S C -0.587 173.760 174.600 -0.421 0.000 1.089 450 S CA -0.412 57.616 58.200 -0.287 0.000 0.961 450 S CB 1.923 64.806 63.200 -0.529 0.000 1.062 450 S HN 0.020 nan 8.310 nan 0.000 0.483 451 V N 4.726 124.380 119.914 -0.434 0.000 2.432 451 V HA 0.438 4.560 4.120 0.003 0.000 0.275 451 V C -1.042 174.644 176.094 -0.681 0.000 1.043 451 V CA -0.183 61.905 62.300 -0.354 0.000 0.925 451 V CB 0.140 31.928 31.823 -0.059 0.000 0.985 451 V HN 0.840 nan 8.190 nan 0.000 0.466 452 Y N 1.906 121.746 120.300 -0.767 0.000 2.587 452 Y HA 0.626 5.178 4.550 0.004 0.000 0.337 452 Y C 0.443 175.972 175.900 -0.619 0.000 1.065 452 Y CA -0.735 56.804 58.100 -0.934 0.000 1.126 452 Y CB 2.135 39.733 38.460 -1.437 0.000 1.279 452 Y HN 0.511 nan 8.280 nan 0.000 0.489 453 S N 1.216 116.834 115.700 -0.136 0.000 2.605 453 S HA 0.819 5.291 4.470 0.003 0.000 0.308 453 S C -1.708 173.057 174.600 0.275 0.000 1.113 453 S CA -0.412 57.880 58.200 0.153 0.000 1.049 453 S CB 0.469 63.809 63.200 0.234 0.000 1.001 453 S HN 0.444 nan 8.310 nan 0.000 0.480 454 V N 4.770 124.903 119.914 0.364 0.000 2.925 454 V HA 0.535 4.657 4.120 0.003 0.000 0.311 454 V C -0.560 175.650 176.094 0.193 0.000 1.104 454 V CA -1.110 61.380 62.300 0.317 0.000 0.954 454 V CB 2.304 34.363 31.823 0.394 0.000 1.022 454 V HN 0.888 nan 8.190 nan 0.000 0.427 455 N N 3.925 122.719 118.700 0.156 0.000 2.422 455 N HA 0.348 5.090 4.740 0.003 0.000 0.266 455 N C -2.000 173.583 175.510 0.121 0.000 1.007 455 N CA -1.879 51.245 53.050 0.124 0.000 0.941 455 N CB 2.335 40.889 38.487 0.112 0.000 1.115 455 N HN 0.232 nan 8.380 nan 0.000 0.492 456 P HA -0.074 nan 4.420 nan 0.000 0.218 456 P C 1.368 178.818 177.300 0.249 0.000 1.146 456 P CA 0.980 64.153 63.100 0.122 0.000 0.813 456 P CB 0.331 32.038 31.700 0.011 0.000 0.778 457 L N -0.907 120.444 121.223 0.214 0.000 2.362 457 L HA -0.123 4.219 4.340 0.003 0.000 0.219 457 L C 1.227 178.181 176.870 0.140 0.000 1.134 457 L CA 1.124 56.090 54.840 0.210 0.000 0.807 457 L CB -0.636 41.513 42.059 0.150 0.000 0.927 457 L HN -0.038 nan 8.230 nan 0.000 0.447 458 D N -0.521 119.954 120.400 0.125 0.000 2.339 458 D HA 0.033 4.675 4.640 0.003 0.000 0.217 458 D C 2.203 178.561 176.300 0.096 0.000 1.050 458 D CA 0.249 54.298 54.000 0.081 0.000 0.856 458 D CB 0.335 41.178 40.800 0.072 0.000 0.922 458 D HN 0.270 nan 8.370 nan 0.000 0.518 459 L N 0.971 122.289 121.223 0.158 0.000 2.042 459 L HA -0.151 4.191 4.340 0.003 0.000 0.210 459 L C -0.461 176.512 176.870 0.171 0.000 1.076 459 L CA 1.528 56.478 54.840 0.183 0.000 0.749 459 L CB -1.391 40.839 42.059 0.285 0.000 0.893 459 L HN 0.045 nan 8.230 nan 0.000 0.432 460 P HA -0.178 nan 4.420 nan 0.000 0.215 460 P C 1.440 178.820 177.300 0.133 0.000 1.153 460 P CA 1.819 64.965 63.100 0.077 0.000 0.853 460 P CB -0.010 31.529 31.700 -0.269 0.000 0.788 461 A N -0.809 122.018 122.820 0.011 0.000 1.898 461 A HA -0.168 4.154 4.320 0.003 0.000 0.216 461 A C 2.210 179.803 177.584 0.015 0.000 1.181 461 A CA 1.446 53.481 52.037 -0.003 0.000 0.620 461 A CB -1.634 17.338 19.000 -0.047 0.000 0.819 461 A HN 0.097 nan 8.150 nan 0.000 0.442 462 I N -0.251 120.332 120.570 0.022 0.000 2.179 462 I HA -0.268 3.904 4.170 0.003 0.000 0.242 462 I C 2.313 178.462 176.117 0.052 0.000 1.088 462 I CA 1.381 62.672 61.300 -0.014 0.000 1.357 462 I CB -0.305 37.718 38.000 0.039 0.000 1.051 462 I HN 0.307 nan 8.210 nan 0.000 0.409 463 I N 0.393 121.054 120.570 0.151 0.000 2.179 463 I HA -0.311 3.861 4.170 0.003 0.000 0.242 463 I C 2.632 178.784 176.117 0.058 0.000 1.088 463 I CA 1.553 62.959 61.300 0.177 0.000 1.357 463 I CB -0.434 37.694 38.000 0.213 0.000 1.051 463 I HN 0.316 nan 8.210 nan 0.000 0.409 464 E N 1.172 121.427 120.200 0.092 0.000 2.058 464 E HA -0.320 4.032 4.350 0.003 0.000 0.194 464 E C 2.298 178.895 176.600 -0.005 0.000 0.997 464 E CA 1.451 57.872 56.400 0.034 0.000 0.801 464 E CB -0.002 29.810 29.700 0.185 0.000 0.746 464 E HN 0.179 nan 8.360 nan 0.000 0.450 465 R N 0.582 121.072 120.500 -0.017 0.000 2.081 465 R HA -0.084 4.258 4.340 0.003 0.000 0.235 465 R C 2.200 178.452 176.300 -0.081 0.000 1.131 465 R CA 1.488 57.552 56.100 -0.060 0.000 0.960 465 R CB -0.465 29.770 30.300 -0.109 0.000 0.856 465 R HN 0.297 nan 8.270 nan 0.000 0.436 466 L N -1.391 119.768 121.223 -0.107 0.000 2.162 466 L HA -0.004 4.338 4.340 0.003 0.000 0.205 466 L C 1.631 178.275 176.870 -0.377 0.000 1.086 466 L CA 0.894 55.595 54.840 -0.231 0.000 0.778 466 L CB -0.243 41.650 42.059 -0.278 0.000 0.928 466 L HN 0.362 nan 8.230 nan 0.000 0.446 467 H N -1.044 117.984 119.070 -0.071 0.000 3.170 467 H HA 0.313 4.871 4.556 0.003 0.000 0.264 467 H C 0.816 176.062 175.328 -0.136 0.000 1.113 467 H CA 0.716 56.700 56.048 -0.107 0.000 1.194 467 H CB 1.118 30.785 29.762 -0.158 0.000 1.553 467 H HN 0.267 nan 8.280 nan 0.000 0.538 468 G N 1.069 109.847 108.800 -0.036 0.000 2.730 468 G HA2 -0.232 3.730 3.960 0.003 0.000 0.686 468 G HA3 -0.232 3.730 3.960 0.003 0.000 0.686 468 G C 0.664 175.485 174.900 -0.132 0.000 1.343 468 G CA -0.182 44.886 45.100 -0.053 0.000 0.826 468 G HN 0.230 nan 8.290 nan 0.000 0.582 469 L N 0.209 121.409 121.223 -0.038 0.000 2.261 469 L HA -0.087 4.255 4.340 0.003 0.000 0.216 469 L C 2.483 179.313 176.870 -0.067 0.000 1.114 469 L CA 1.731 56.588 54.840 0.028 0.000 0.777 469 L CB -0.283 41.864 42.059 0.147 0.000 0.910 469 L HN 0.643 nan 8.230 nan 0.000 0.440 470 D N 0.157 120.500 120.400 -0.094 0.000 2.218 470 D HA -0.164 4.478 4.640 0.003 0.000 0.204 470 D C 2.181 178.359 176.300 -0.202 0.000 0.976 470 D CA 1.246 55.184 54.000 -0.104 0.000 0.853 470 D CB 0.057 40.800 40.800 -0.095 0.000 0.939 470 D HN 0.347 nan 8.370 nan 0.000 0.481 471 A N 0.149 122.748 122.820 -0.368 0.000 2.076 471 A HA -0.169 4.153 4.320 0.003 0.000 0.220 471 A C 1.356 178.721 177.584 -0.365 0.000 1.160 471 A CA 0.930 52.680 52.037 -0.479 0.000 0.653 471 A CB -0.640 17.971 19.000 -0.649 0.000 0.801 471 A HN 0.154 nan 8.150 nan 0.000 0.455 472 F N -1.182 118.770 119.950 0.003 0.000 2.695 472 F HA 0.257 4.787 4.527 0.003 0.000 0.303 472 F C 1.452 177.280 175.800 0.047 0.000 1.091 472 F CA 0.145 58.169 58.000 0.039 0.000 1.300 472 F CB 0.174 39.214 39.000 0.066 0.000 1.071 472 F HN 0.057 nan 8.300 nan 0.000 0.578 473 S N -0.595 115.187 115.700 0.137 0.000 2.960 473 S HA 0.218 4.690 4.470 0.003 0.000 0.256 473 S C 0.464 175.118 174.600 0.089 0.000 1.017 473 S CA -0.279 57.999 58.200 0.130 0.000 1.144 473 S CB 0.290 63.557 63.200 0.111 0.000 1.109 473 S HN -0.076 nan 8.310 nan 0.000 0.638 474 M N 3.950 123.520 119.600 -0.049 0.000 2.251 474 M HA 0.173 4.655 4.480 0.003 0.000 0.343 474 M C 0.433 176.616 176.300 -0.194 0.000 1.245 474 M CA 1.050 56.193 55.300 -0.262 0.000 1.061 474 M CB -0.496 31.832 32.600 -0.452 0.000 1.723 474 M HN 0.482 nan 8.290 nan 0.000 0.449 475 H N -0.474 118.381 119.070 -0.357 0.000 2.942 475 H HA 0.344 4.902 4.556 0.003 0.000 0.316 475 H C -0.656 174.487 175.328 -0.309 0.000 1.323 475 H CA -0.584 55.307 56.048 -0.261 0.000 1.144 475 H CB 0.689 30.408 29.762 -0.073 0.000 1.866 475 H HN 0.591 nan 8.280 nan 0.000 0.545 476 T N 0.863 115.413 114.554 -0.007 0.000 3.580 476 T HA -0.222 4.130 4.350 0.003 0.000 0.402 476 T C -0.531 174.102 174.700 -0.112 0.000 0.765 476 T CA 0.688 62.778 62.100 -0.016 0.000 2.064 476 T CB -2.519 66.334 68.868 -0.025 0.000 1.724 476 T HN 0.429 nan 8.240 nan 0.000 0.719 477 Y N 1.529 121.838 120.300 0.014 0.000 2.426 477 Y HA 0.337 4.889 4.550 0.003 0.000 0.344 477 Y C 1.508 177.440 175.900 0.053 0.000 1.256 477 Y CA 0.154 58.274 58.100 0.033 0.000 1.451 477 Y CB 0.558 39.034 38.460 0.025 0.000 1.342 477 Y HN 0.558 nan 8.280 nan 0.000 0.600 478 S N 1.143 116.998 115.700 0.258 0.000 2.579 478 S HA -0.037 4.435 4.470 0.003 0.000 0.275 478 S C 1.208 175.930 174.600 0.203 0.000 1.345 478 S CA -0.485 57.830 58.200 0.192 0.000 1.031 478 S CB 0.492 63.796 63.200 0.173 0.000 0.892 478 S HN 0.901 nan 8.310 nan 0.000 0.529 479 H N 1.350 120.488 119.070 0.114 0.000 2.353 479 H HA -0.213 4.345 4.556 0.003 0.000 0.298 479 H C 1.941 177.345 175.328 0.126 0.000 1.103 479 H CA 2.615 58.726 56.048 0.104 0.000 1.293 479 H CB -0.461 29.353 29.762 0.086 0.000 1.372 479 H HN 0.977 nan 8.280 nan 0.000 0.501 480 H N 0.147 119.317 119.070 0.167 0.000 2.387 480 H HA -0.087 4.471 4.556 0.003 0.000 0.299 480 H C 1.894 177.246 175.328 0.041 0.000 1.090 480 H CA 1.060 57.166 56.048 0.097 0.000 1.332 480 H CB 0.523 30.330 29.762 0.075 0.000 1.386 480 H HN 0.368 nan 8.280 nan 0.000 0.516 481 E N 0.792 121.013 120.200 0.034 0.000 2.072 481 E HA -0.103 4.249 4.350 0.003 0.000 0.191 481 E C 2.671 179.220 176.600 -0.085 0.000 0.985 481 E CA 0.386 56.771 56.400 -0.025 0.000 0.801 481 E CB -0.146 29.636 29.700 0.137 0.000 0.750 481 E HN 0.520 nan 8.360 nan 0.000 0.452 482 L N 0.835 122.018 121.223 -0.067 0.000 2.046 482 L HA -0.173 4.169 4.340 0.003 0.000 0.208 482 L C 2.766 179.542 176.870 -0.156 0.000 1.077 482 L CA 1.831 56.602 54.840 -0.115 0.000 0.747 482 L CB -0.917 41.074 42.059 -0.113 0.000 0.896 482 L HN 0.222 nan 8.230 nan 0.000 0.432 483 T N -2.638 111.800 114.554 -0.194 0.000 2.777 483 T HA -0.216 4.136 4.350 0.003 0.000 0.266 483 T C 2.025 176.640 174.700 -0.142 0.000 1.040 483 T CA 0.825 62.834 62.100 -0.152 0.000 1.141 483 T CB -0.297 68.518 68.868 -0.088 0.000 0.868 483 T HN 0.169 nan 8.240 nan 0.000 0.444 484 R N 0.441 120.808 120.500 -0.222 0.000 2.094 484 R HA -0.098 4.244 4.340 0.003 0.000 0.239 484 R C 2.461 178.642 176.300 -0.198 0.000 1.137 484 R CA 1.964 57.908 56.100 -0.260 0.000 0.943 484 R CB -0.735 29.331 30.300 -0.391 0.000 0.850 484 R HN 0.387 nan 8.270 nan 0.000 0.433 485 V N 0.274 120.088 119.914 -0.166 0.000 2.323 485 V HA -0.170 3.952 4.120 0.003 0.000 0.244 485 V C 2.390 178.425 176.094 -0.099 0.000 1.041 485 V CA 1.777 63.994 62.300 -0.137 0.000 1.025 485 V CB -0.706 31.064 31.823 -0.087 0.000 0.656 485 V HN 0.492 nan 8.190 nan 0.000 0.451 486 A N -0.120 122.652 122.820 -0.080 0.000 1.908 486 A HA -0.225 4.097 4.320 0.003 0.000 0.218 486 A C 2.495 180.055 177.584 -0.040 0.000 1.181 486 A CA 2.401 54.411 52.037 -0.045 0.000 0.627 486 A CB -0.736 18.239 19.000 -0.042 0.000 0.818 486 A HN 0.503 nan 8.150 nan 0.000 0.445 487 S N -0.270 115.396 115.700 -0.057 0.000 2.356 487 S HA -0.025 4.447 4.470 0.003 0.000 0.223 487 S C 2.342 176.916 174.600 -0.043 0.000 1.032 487 S CA 1.199 59.375 58.200 -0.041 0.000 1.005 487 S CB -0.500 62.672 63.200 -0.046 0.000 0.867 487 S HN 0.811 nan 8.310 nan 0.000 0.449 488 A N 1.443 124.214 122.820 -0.082 0.000 1.902 488 A HA -0.014 4.308 4.320 0.003 0.000 0.217 488 A C 2.122 179.669 177.584 -0.061 0.000 1.181 488 A CA 1.164 53.145 52.037 -0.093 0.000 0.623 488 A CB -0.748 18.146 19.000 -0.176 0.000 0.818 488 A HN 0.449 nan 8.150 nan 0.000 0.443 489 L N -1.162 120.030 121.223 -0.051 0.000 2.046 489 L HA -0.189 4.153 4.340 0.003 0.000 0.208 489 L C 2.902 179.761 176.870 -0.018 0.000 1.077 489 L CA 1.456 56.287 54.840 -0.014 0.000 0.747 489 L CB -0.511 41.569 42.059 0.035 0.000 0.896 489 L HN 0.360 nan 8.230 nan 0.000 0.432 490 R N 0.238 120.734 120.500 -0.007 0.000 2.073 490 R HA -0.201 4.141 4.340 0.003 0.000 0.234 490 R C 2.332 178.660 176.300 0.046 0.000 1.134 490 R CA 1.484 57.589 56.100 0.009 0.000 0.952 490 R CB -0.314 30.002 30.300 0.026 0.000 0.850 490 R HN 0.270 nan 8.270 nan 0.000 0.433 491 K N 1.181 121.614 120.400 0.054 0.000 2.063 491 K HA -0.140 4.182 4.320 0.003 0.000 0.208 491 K C 1.730 178.434 176.600 0.174 0.000 1.048 491 K CA 1.351 57.703 56.287 0.107 0.000 0.928 491 K CB -0.030 32.503 32.500 0.055 0.000 0.713 491 K HN 0.142 nan 8.250 nan 0.000 0.442 492 L N -0.331 120.928 121.223 0.060 0.000 2.591 492 L HA 0.176 4.518 4.340 0.003 0.000 0.228 492 L C 0.918 177.662 176.870 -0.210 0.000 1.133 492 L CA 0.335 55.198 54.840 0.038 0.000 0.880 492 L CB 0.234 42.296 42.059 0.005 0.000 1.033 492 L HN 0.562 nan 8.230 nan 0.000 0.450 493 G N 0.757 109.262 108.800 -0.492 0.000 2.198 493 G HA2 -0.229 3.733 3.960 0.003 0.000 0.257 493 G HA3 -0.229 3.733 3.960 0.003 0.000 0.257 493 G C 0.245 174.881 174.900 -0.440 0.000 1.042 493 G CA 0.152 44.628 45.100 -1.040 0.000 0.791 493 G HN 0.488 nan 8.290 nan 0.000 0.502 494 A N -0.213 122.498 122.820 -0.182 0.000 2.279 494 A HA 0.896 5.218 4.320 0.003 0.000 0.303 494 A C -1.582 176.017 177.584 0.025 0.000 1.108 494 A CA -1.365 50.670 52.037 -0.004 0.000 0.830 494 A CB 0.790 19.866 19.000 0.127 0.000 1.106 494 A HN 0.189 nan 8.150 nan 0.000 0.493 495 P HA 0.238 nan 4.420 nan 0.000 0.269 495 P C -2.464 174.908 177.300 0.121 0.000 1.215 495 P CA -0.794 62.261 63.100 -0.076 0.000 0.780 495 P CB 0.021 31.448 31.700 -0.455 0.000 0.898 496 P HA 0.127 nan 4.420 nan 0.000 0.274 496 P C 0.873 178.323 177.300 0.249 0.000 1.246 496 P CA -0.218 62.964 63.100 0.135 0.000 0.795 496 P CB 0.834 32.569 31.700 0.058 0.000 1.006 497 L N 0.648 122.022 121.223 0.252 0.000 2.081 497 L HA -0.241 4.101 4.340 0.003 0.000 0.212 497 L C 2.853 179.874 176.870 0.251 0.000 1.080 497 L CA 1.952 56.964 54.840 0.286 0.000 0.754 497 L CB -0.871 41.262 42.059 0.124 0.000 0.893 497 L HN 0.481 nan 8.230 nan 0.000 0.433 498 R N -0.385 120.206 120.500 0.152 0.000 2.120 498 R HA -0.107 4.235 4.340 0.003 0.000 0.234 498 R C 1.963 178.321 176.300 0.096 0.000 1.123 498 R CA 1.461 57.635 56.100 0.123 0.000 0.975 498 R CB -0.972 29.372 30.300 0.074 0.000 0.866 498 R HN 0.171 nan 8.270 nan 0.000 0.446 499 V N 0.477 120.407 119.914 0.027 0.000 2.453 499 V HA -0.160 3.962 4.120 0.003 0.000 0.247 499 V C 1.908 177.940 176.094 -0.104 0.000 1.048 499 V CA 1.631 63.870 62.300 -0.103 0.000 1.049 499 V CB -0.647 31.025 31.823 -0.252 0.000 0.672 499 V HN 0.370 nan 8.190 nan 0.000 0.457 500 W N 0.535 121.895 121.300 0.100 0.000 2.363 500 W HA -0.169 4.493 4.660 0.003 0.000 0.296 500 W C 2.563 179.246 176.519 0.273 0.000 1.212 500 W CA 1.745 59.190 57.345 0.167 0.000 1.260 500 W CB -0.217 29.339 29.460 0.160 0.000 1.131 500 W HN 0.111 nan 8.180 nan 0.000 0.530 501 K N 0.207 120.899 120.400 0.487 0.000 2.063 501 K HA -0.188 4.135 4.320 0.003 0.000 0.208 501 K C 2.120 178.836 176.600 0.194 0.000 1.048 501 K CA 1.937 58.500 56.287 0.460 0.000 0.928 501 K CB -0.391 32.348 32.500 0.400 0.000 0.713 501 K HN -0.057 nan 8.250 nan 0.000 0.442 502 S N 0.540 116.307 115.700 0.113 0.000 2.368 502 S HA -0.110 4.362 4.470 0.003 0.000 0.225 502 S C 1.847 176.444 174.600 -0.005 0.000 1.030 502 S CA 1.270 59.483 58.200 0.022 0.000 0.999 502 S CB -0.210 62.983 63.200 -0.011 0.000 0.844 502 S HN 0.353 nan 8.310 nan 0.000 0.459 503 R N 1.047 121.556 120.500 0.017 0.000 2.081 503 R HA 0.006 4.348 4.340 0.003 0.000 0.235 503 R C 2.590 178.889 176.300 -0.001 0.000 1.131 503 R CA 1.227 57.328 56.100 0.001 0.000 0.960 503 R CB -0.502 29.798 30.300 0.001 0.000 0.856 503 R HN 0.400 nan 8.270 nan 0.000 0.436 504 A N 1.293 124.158 122.820 0.076 0.000 1.933 504 A HA -0.184 4.138 4.320 0.003 0.000 0.218 504 A C 2.058 179.439 177.584 -0.337 0.000 1.175 504 A CA 1.243 53.211 52.037 -0.116 0.000 0.628 504 A CB -0.363 18.697 19.000 0.098 0.000 0.814 504 A HN 0.234 nan 8.150 nan 0.000 0.444 505 R N -0.525 119.845 120.500 -0.218 0.000 2.091 505 R HA -0.107 4.235 4.340 0.003 0.000 0.238 505 R C 2.444 178.621 176.300 -0.204 0.000 1.136 505 R CA 1.310 57.280 56.100 -0.217 0.000 0.959 505 R CB -0.439 29.780 30.300 -0.136 0.000 0.856 505 R HN 0.522 nan 8.270 nan 0.000 0.437 506 A N 0.533 123.253 122.820 -0.167 0.000 1.897 506 A HA -0.065 4.257 4.320 0.003 0.000 0.215 506 A C 2.352 179.824 177.584 -0.186 0.000 1.181 506 A CA 1.025 52.975 52.037 -0.145 0.000 0.620 506 A CB -0.432 18.507 19.000 -0.102 0.000 0.821 506 A HN 0.099 nan 8.150 nan 0.000 0.443 507 V N 0.368 120.130 119.914 -0.253 0.000 2.287 507 V HA -0.301 3.821 4.120 0.003 0.000 0.248 507 V C 2.670 178.516 176.094 -0.412 0.000 1.053 507 V CA 2.425 64.533 62.300 -0.319 0.000 1.027 507 V CB -0.828 30.739 31.823 -0.427 0.000 0.646 507 V HN 0.693 nan 8.190 nan 0.000 0.447 508 R N 0.251 120.405 120.500 -0.575 0.000 2.080 508 R HA -0.216 4.126 4.340 0.003 0.000 0.236 508 R C 2.292 178.467 176.300 -0.209 0.000 1.137 508 R CA 1.974 57.827 56.100 -0.411 0.000 0.943 508 R CB -0.530 29.559 30.300 -0.352 0.000 0.846 508 R HN 0.481 nan 8.270 nan 0.000 0.431 509 A N 0.063 122.775 122.820 -0.181 0.000 1.933 509 A HA -0.131 4.191 4.320 0.003 0.000 0.218 509 A C 2.215 179.745 177.584 -0.090 0.000 1.175 509 A CA 1.920 53.887 52.037 -0.116 0.000 0.628 509 A CB -0.483 18.456 19.000 -0.102 0.000 0.814 509 A HN 0.470 nan 8.150 nan 0.000 0.444 510 S N -0.090 115.551 115.700 -0.098 0.000 2.368 510 S HA -0.080 4.392 4.470 0.003 0.000 0.224 510 S C 1.825 176.400 174.600 -0.041 0.000 1.029 510 S CA 1.406 59.569 58.200 -0.062 0.000 0.988 510 S CB -0.468 62.698 63.200 -0.057 0.000 0.838 510 S HN 0.513 nan 8.310 nan 0.000 0.462 511 L N 1.022 122.213 121.223 -0.054 0.000 2.012 511 L HA -0.115 4.227 4.340 0.003 0.000 0.210 511 L C 2.234 179.094 176.870 -0.016 0.000 1.073 511 L CA 1.253 56.082 54.840 -0.018 0.000 0.748 511 L CB -0.581 41.459 42.059 -0.032 0.000 0.891 511 L HN 0.287 nan 8.230 nan 0.000 0.431 512 I N -0.325 120.222 120.570 -0.037 0.000 2.286 512 I HA -0.278 3.894 4.170 0.003 0.000 0.248 512 I C 2.755 178.861 176.117 -0.019 0.000 1.115 512 I CA 1.461 62.745 61.300 -0.027 0.000 1.392 512 I CB -0.296 37.679 38.000 -0.041 0.000 1.065 512 I HN 0.367 nan 8.210 nan 0.000 0.418 513 S N 0.959 116.645 115.700 -0.024 0.000 2.442 513 S HA -0.168 4.304 4.470 0.003 0.000 0.236 513 S C 1.978 176.574 174.600 -0.006 0.000 1.007 513 S CA 0.852 59.041 58.200 -0.017 0.000 0.965 513 S CB -0.404 62.783 63.200 -0.022 0.000 0.773 513 S HN 0.438 nan 8.310 nan 0.000 0.504 514 R N 1.071 121.572 120.500 0.001 0.000 2.275 514 R HA 0.304 4.646 4.340 0.003 0.000 0.199 514 R C 1.544 177.852 176.300 0.014 0.000 0.989 514 R CA 0.337 56.444 56.100 0.012 0.000 1.016 514 R CB -0.553 29.763 30.300 0.025 0.000 0.918 514 R HN 0.568 nan 8.270 nan 0.000 0.473 515 G N 0.244 109.050 108.800 0.010 0.000 2.749 515 G HA2 -0.140 3.822 3.960 0.003 0.000 0.242 515 G HA3 -0.140 3.822 3.960 0.003 0.000 0.242 515 G C 0.471 175.382 174.900 0.018 0.000 1.364 515 G CA -0.351 44.756 45.100 0.011 0.000 0.888 515 G HN 0.621 nan 8.290 nan 0.000 0.566 516 G N -1.034 107.775 108.800 0.016 0.000 2.574 516 G HA2 -0.239 3.723 3.960 0.003 0.000 0.282 516 G HA3 -0.239 3.723 3.960 0.003 0.000 0.282 516 G C 1.030 175.941 174.900 0.019 0.000 1.257 516 G CA 1.328 46.439 45.100 0.018 0.000 0.956 516 G HN 1.519 nan 8.290 nan 0.000 0.560 517 K N 0.570 120.985 120.400 0.024 0.000 2.211 517 K HA 0.202 4.524 4.320 0.003 0.000 0.203 517 K C 3.035 179.658 176.600 0.039 0.000 1.050 517 K CA 1.459 57.760 56.287 0.022 0.000 0.945 517 K CB -0.288 32.233 32.500 0.034 0.000 0.732 517 K HN 0.652 nan 8.250 nan 0.000 0.451 518 A N 1.687 124.542 122.820 0.058 0.000 1.902 518 A HA -0.135 4.187 4.320 0.003 0.000 0.217 518 A C 2.390 179.994 177.584 0.033 0.000 1.181 518 A CA 1.852 53.933 52.037 0.073 0.000 0.623 518 A CB -0.670 18.379 19.000 0.082 0.000 0.818 518 A HN 0.321 nan 8.150 nan 0.000 0.443 519 A N -0.647 122.186 122.820 0.022 0.000 1.972 519 A HA 0.043 4.365 4.320 0.003 0.000 0.219 519 A C 2.189 179.788 177.584 0.024 0.000 1.169 519 A CA 1.650 53.695 52.037 0.014 0.000 0.635 519 A CB -0.776 18.232 19.000 0.013 0.000 0.810 519 A HN 0.370 nan 8.150 nan 0.000 0.446 520 V N -0.866 119.059 119.914 0.018 0.000 2.343 520 V HA -0.314 3.808 4.120 0.003 0.000 0.247 520 V C 2.635 178.729 176.094 -0.000 0.000 1.051 520 V CA 2.000 64.312 62.300 0.020 0.000 1.036 520 V CB -1.097 30.672 31.823 -0.091 0.000 0.654 520 V HN 0.717 nan 8.190 nan 0.000 0.451 521 C N 0.723 119.992 119.300 -0.052 0.000 2.413 521 C HA -0.094 4.368 4.460 0.003 0.000 0.276 521 C C 2.954 177.895 174.990 -0.082 0.000 1.236 521 C CA 0.882 59.816 59.018 -0.140 0.000 1.735 521 C CB -1.711 25.895 27.740 -0.222 0.000 2.031 521 C HN 0.682 nan 8.230 nan 0.000 0.474 522 G N 0.151 108.945 108.800 -0.010 0.000 2.446 522 G HA2 -0.218 3.745 3.960 0.003 0.000 0.217 522 G HA3 -0.218 3.745 3.960 0.003 0.000 0.217 522 G C 1.795 176.723 174.900 0.048 0.000 1.168 522 G CA 0.620 45.755 45.100 0.058 0.000 0.771 522 G HN 0.592 nan 8.290 nan 0.000 0.551 523 R N -1.116 119.394 120.500 0.016 0.000 2.075 523 R HA -0.025 4.317 4.340 0.003 0.000 0.232 523 R C 2.395 178.604 176.300 -0.152 0.000 1.126 523 R CA 1.383 57.454 56.100 -0.048 0.000 0.963 523 R CB -0.391 29.896 30.300 -0.021 0.000 0.858 523 R HN 0.468 nan 8.270 nan 0.000 0.435 524 Y N 0.465 120.588 120.300 -0.294 0.000 2.231 524 Y HA 0.014 4.566 4.550 0.003 0.000 0.294 524 Y C 2.155 177.705 175.900 -0.583 0.000 1.120 524 Y CA 0.802 58.562 58.100 -0.568 0.000 1.141 524 Y CB -0.190 37.748 38.460 -0.869 0.000 1.022 524 Y HN -0.086 nan 8.280 nan 0.000 0.523 525 L N -1.893 119.140 121.223 -0.317 0.000 2.291 525 L HA -0.100 4.242 4.340 0.003 0.000 0.214 525 L C 0.584 177.160 176.870 -0.489 0.000 1.120 525 L CA 1.107 55.708 54.840 -0.400 0.000 0.799 525 L CB -0.257 41.422 42.059 -0.634 0.000 0.925 525 L HN 0.153 nan 8.230 nan 0.000 0.446 526 F N -1.595 118.273 119.950 -0.136 0.000 2.735 526 F HA 0.191 4.720 4.527 0.003 0.000 0.304 526 F C 1.580 177.073 175.800 -0.513 0.000 1.119 526 F CA -0.391 57.343 58.000 -0.444 0.000 1.280 526 F CB -0.400 38.352 39.000 -0.413 0.000 0.994 526 F HN -0.089 nan 8.300 nan 0.000 0.520 527 N N 1.201 119.814 118.700 -0.146 0.000 2.272 527 N HA -0.206 4.537 4.740 0.003 0.000 0.185 527 N C 2.006 177.488 175.510 -0.047 0.000 1.014 527 N CA 1.696 54.685 53.050 -0.100 0.000 0.870 527 N CB -0.210 38.238 38.487 -0.065 0.000 0.975 527 N HN 0.556 nan 8.380 nan 0.000 0.433 528 W N -0.356 120.982 121.300 0.064 0.000 2.421 528 W HA 0.086 4.748 4.660 0.003 0.000 0.270 528 W C 1.176 177.752 176.519 0.095 0.000 1.233 528 W CA 0.724 58.117 57.345 0.081 0.000 1.226 528 W CB -0.785 28.734 29.460 0.098 0.000 1.121 528 W HN 0.058 nan 8.180 nan 0.000 0.579 529 A N 1.361 123.804 122.820 -0.628 0.000 2.218 529 A HA 0.259 4.581 4.320 0.003 0.000 0.209 529 A C 0.856 178.310 177.584 -0.218 0.000 1.168 529 A CA 0.852 52.530 52.037 -0.599 0.000 0.804 529 A CB -0.718 17.643 19.000 -1.066 0.000 0.834 529 A HN 0.127 nan 8.150 nan 0.000 0.482 530 V N -3.512 116.311 119.914 -0.151 0.000 2.667 530 V HA 0.452 4.574 4.120 0.003 0.000 0.308 530 V C 0.613 176.686 176.094 -0.034 0.000 1.048 530 V CA -0.869 61.378 62.300 -0.088 0.000 0.928 530 V CB 1.594 33.356 31.823 -0.101 0.000 1.004 530 V HN 0.270 nan 8.190 nan 0.000 0.444 531 K N 1.166 121.551 120.400 -0.025 0.000 2.076 531 K HA 0.055 4.378 4.320 0.003 0.000 0.204 531 K C 0.721 177.307 176.600 -0.022 0.000 1.051 531 K CA 1.298 57.578 56.287 -0.012 0.000 0.949 531 K CB -0.088 32.408 32.500 -0.008 0.000 0.726 531 K HN 0.789 nan 8.250 nan 0.000 0.443 532 T N 3.607 118.142 114.554 -0.031 0.000 3.455 532 T HA 0.122 4.474 4.350 0.003 0.000 0.286 532 T C -0.347 174.327 174.700 -0.044 0.000 1.157 532 T CA 0.075 62.155 62.100 -0.035 0.000 1.090 532 T CB -0.057 68.790 68.868 -0.035 0.000 1.112 532 T HN 0.052 nan 8.240 nan 0.000 0.779 533 K N 2.370 122.745 120.400 -0.041 0.000 2.237 533 K HA 0.368 4.690 4.320 0.003 0.000 0.270 533 K C 0.142 176.705 176.600 -0.062 0.000 1.015 533 K CA -0.495 55.762 56.287 -0.050 0.000 0.949 533 K CB 0.896 33.376 32.500 -0.034 0.000 0.976 533 K HN 0.412 nan 8.250 nan 0.000 0.472 534 L N 2.078 123.248 121.223 -0.087 0.000 2.418 534 L HA 0.251 4.593 4.340 0.003 0.000 0.265 534 L C 0.480 177.284 176.870 -0.110 0.000 1.143 534 L CA -0.507 54.271 54.840 -0.103 0.000 0.809 534 L CB 0.461 42.434 42.059 -0.142 0.000 1.124 534 L HN 0.490 nan 8.230 nan 0.000 0.456 535 K N 2.880 123.225 120.400 -0.092 0.000 2.285 535 K HA 0.405 4.727 4.320 0.003 0.000 0.286 535 K C -0.952 175.572 176.600 -0.127 0.000 1.072 535 K CA -0.440 55.798 56.287 -0.081 0.000 0.913 535 K CB 0.511 32.984 32.500 -0.044 0.000 1.067 535 K HN 0.456 nan 8.250 nan 0.000 0.479 536 L N 4.164 125.287 121.223 -0.166 0.000 2.305 536 L HA 0.252 4.594 4.340 0.003 0.000 0.281 536 L C 0.710 177.559 176.870 -0.035 0.000 1.085 536 L CA -0.644 54.025 54.840 -0.287 0.000 0.813 536 L CB 1.247 43.024 42.059 -0.471 0.000 1.157 536 L HN 0.718 nan 8.230 nan 0.000 0.436 537 T N 0.364 114.960 114.554 0.070 0.000 2.934 537 T HA 0.523 4.875 4.350 0.003 0.000 0.283 537 T C -2.551 172.291 174.700 0.238 0.000 1.005 537 T CA -2.235 59.948 62.100 0.139 0.000 1.041 537 T CB 1.372 70.304 68.868 0.107 0.000 1.042 537 T HN 0.230 nan 8.240 nan 0.000 0.505 538 P HA 0.233 nan 4.420 nan 0.000 0.268 538 P C -0.613 176.749 177.300 0.104 0.000 1.204 538 P CA -0.281 62.906 63.100 0.145 0.000 0.768 538 P CB 0.253 32.005 31.700 0.086 0.000 0.842 539 L N 6.620 127.881 121.223 0.062 0.000 2.290 539 L HA 0.205 4.547 4.340 0.003 0.000 0.284 539 L C -1.222 175.636 176.870 -0.020 0.000 1.078 539 L CA -1.653 53.167 54.840 -0.033 0.000 0.815 539 L CB 0.956 42.927 42.059 -0.147 0.000 1.162 539 L HN 0.300 nan 8.230 nan 0.000 0.435 540 P HA -0.161 nan 4.420 nan 0.000 0.216 540 P C 0.887 178.169 177.300 -0.031 0.000 1.150 540 P CA 1.063 64.152 63.100 -0.018 0.000 0.837 540 P CB 0.303 31.994 31.700 -0.015 0.000 0.786 541 E N -0.205 119.968 120.200 -0.044 0.000 2.265 541 E HA -0.119 4.233 4.350 0.003 0.000 0.196 541 E C 2.032 178.598 176.600 -0.057 0.000 0.996 541 E CA 1.261 57.632 56.400 -0.049 0.000 0.832 541 E CB -1.050 28.618 29.700 -0.054 0.000 0.756 541 E HN 0.204 nan 8.360 nan 0.000 0.491 542 A N 0.935 123.725 122.820 -0.050 0.000 1.969 542 A HA -0.151 4.171 4.320 0.003 0.000 0.218 542 A C 2.026 179.570 177.584 -0.066 0.000 1.169 542 A CA 1.324 53.329 52.037 -0.053 0.000 0.635 542 A CB -0.192 18.797 19.000 -0.018 0.000 0.810 542 A HN 0.084 nan 8.150 nan 0.000 0.445 543 R N -1.279 119.191 120.500 -0.049 0.000 2.127 543 R HA 0.175 4.517 4.340 0.003 0.000 0.217 543 R C 1.991 178.254 176.300 -0.062 0.000 1.074 543 R CA 0.845 56.915 56.100 -0.051 0.000 0.991 543 R CB -0.325 29.956 30.300 -0.031 0.000 0.895 543 R HN 0.523 nan 8.270 nan 0.000 0.450 544 L N 1.372 122.562 121.223 -0.056 0.000 2.456 544 L HA 0.041 4.383 4.340 0.003 0.000 0.224 544 L C 0.171 176.996 176.870 -0.075 0.000 1.148 544 L CA 0.428 55.236 54.840 -0.054 0.000 0.825 544 L CB 0.146 42.181 42.059 -0.041 0.000 0.937 544 L HN 0.061 nan 8.230 nan 0.000 0.450 545 L N 0.761 121.921 121.223 -0.105 0.000 2.367 545 L HA 0.060 4.402 4.340 0.003 0.000 0.275 545 L C -0.107 176.653 176.870 -0.183 0.000 1.129 545 L CA -0.228 54.519 54.840 -0.155 0.000 0.839 545 L CB 0.364 42.294 42.059 -0.216 0.000 1.133 545 L HN -0.019 nan 8.230 nan 0.000 0.453 546 D N 3.711 124.002 120.400 -0.181 0.000 2.422 546 D HA 0.249 4.891 4.640 0.003 0.000 0.227 546 D C 0.112 176.217 176.300 -0.324 0.000 1.190 546 D CA 0.012 53.903 54.000 -0.182 0.000 0.905 546 D CB 1.030 41.766 40.800 -0.107 0.000 1.034 546 D HN 0.261 nan 8.370 nan 0.000 0.507 547 L N 2.338 123.333 121.223 -0.380 0.000 3.076 547 L HA 0.045 4.387 4.340 0.003 0.000 0.271 547 L C 2.256 178.933 176.870 -0.322 0.000 1.152 547 L CA 0.330 54.780 54.840 -0.650 0.000 0.996 547 L CB -0.252 41.320 42.059 -0.813 0.000 1.453 547 L HN 0.401 nan 8.230 nan 0.000 0.571 548 S N -0.644 114.961 115.700 -0.158 0.000 2.407 548 S HA -0.237 4.235 4.470 0.003 0.000 0.235 548 S C 1.898 176.509 174.600 0.018 0.000 1.036 548 S CA 1.724 59.903 58.200 -0.034 0.000 1.013 548 S CB -0.776 62.405 63.200 -0.031 0.000 0.820 548 S HN 0.513 nan 8.310 nan 0.000 0.476 549 S N -1.050 114.632 115.700 -0.029 0.000 2.501 549 S HA 0.075 4.547 4.470 0.003 0.000 0.220 549 S C 1.270 175.863 174.600 -0.012 0.000 0.997 549 S CA 0.068 58.262 58.200 -0.009 0.000 0.919 549 S CB -0.780 62.399 63.200 -0.034 0.000 0.778 549 S HN 0.576 nan 8.310 nan 0.000 0.523 550 W N 2.516 123.602 121.300 -0.356 0.000 2.275 550 W HA -0.084 4.578 4.660 0.004 0.000 0.321 550 W C 0.003 176.153 176.519 -0.616 0.000 1.269 550 W CA 0.589 57.576 57.345 -0.598 0.000 1.274 550 W CB -1.100 27.715 29.460 -1.076 0.000 1.141 550 W HN 0.278 nan 8.180 nan 0.000 0.493 551 F N 0.408 120.340 119.950 -0.029 0.000 2.413 551 F HA 0.397 4.926 4.527 0.003 0.000 0.359 551 F C 0.820 176.571 175.800 -0.083 0.000 1.122 551 F CA 0.141 57.998 58.000 -0.239 0.000 1.160 551 F CB 0.434 39.227 39.000 -0.345 0.000 1.146 551 F HN -0.444 nan 8.300 nan 0.000 0.514 552 T N 1.119 115.728 114.554 0.091 0.000 2.778 552 T HA 0.395 4.747 4.350 0.003 0.000 0.293 552 T C 1.050 175.799 174.700 0.082 0.000 1.144 552 T CA -0.559 61.615 62.100 0.123 0.000 1.010 552 T CB 0.919 69.814 68.868 0.044 0.000 1.325 552 T HN 0.169 nan 8.240 nan 0.000 0.515 553 V N 1.135 121.110 119.914 0.102 0.000 2.250 553 V HA 0.226 4.348 4.120 0.003 0.000 0.250 553 V C 1.999 177.843 176.094 -0.417 0.000 1.060 553 V CA 1.639 63.844 62.300 -0.158 0.000 1.030 553 V CB -2.299 29.545 31.823 0.035 0.000 0.643 553 V HN 1.664 nan 8.190 nan 0.000 0.445 554 G N -0.585 108.123 108.800 -0.152 0.000 2.545 554 G HA2 0.375 4.338 3.960 0.003 0.000 0.216 554 G HA3 0.375 4.338 3.960 0.003 0.000 0.216 554 G C -0.417 174.439 174.900 -0.072 0.000 1.314 554 G CA -0.343 44.691 45.100 -0.109 0.000 0.906 554 G HN 1.814 nan 8.290 nan 0.000 0.563 555 A N -1.291 121.495 122.820 -0.055 0.000 2.566 555 A HA 0.990 5.312 4.320 0.003 0.000 0.292 555 A C 0.551 178.129 177.584 -0.009 0.000 1.112 555 A CA 0.673 52.700 52.037 -0.017 0.000 0.707 555 A CB 1.162 20.170 19.000 0.014 0.000 1.302 555 A HN 2.537 nan 8.150 nan 0.000 0.409 556 G N -0.613 108.199 108.800 0.021 0.000 2.305 556 G HA2 0.495 4.457 3.960 0.003 0.000 0.243 556 G HA3 0.495 4.457 3.960 0.003 0.000 0.243 556 G C 1.291 176.211 174.900 0.033 0.000 1.288 556 G CA 0.743 45.870 45.100 0.046 0.000 0.901 556 G HN 2.441 nan 8.290 nan 0.000 0.516 557 G N 0.978 109.798 108.800 0.033 0.000 2.196 557 G HA2 0.120 4.082 3.960 0.003 0.000 0.268 557 G HA3 0.120 4.082 3.960 0.003 0.000 0.268 557 G C 1.437 176.322 174.900 -0.026 0.000 0.975 557 G CA 1.104 46.204 45.100 -0.000 0.000 0.648 557 G HN 2.627 nan 8.290 nan 0.000 0.538 558 G N -0.421 108.367 108.800 -0.019 0.000 2.295 558 G HA2 -0.164 3.798 3.960 0.003 0.000 0.287 558 G HA3 -0.164 3.798 3.960 0.003 0.000 0.287 558 G C 0.120 174.986 174.900 -0.055 0.000 1.055 558 G CA 1.000 46.077 45.100 -0.039 0.000 0.922 558 G HN 1.197 nan 8.290 nan 0.000 0.503 559 D N -0.009 120.365 120.400 -0.043 0.000 3.085 559 D HA 0.405 5.047 4.640 0.003 0.000 0.243 559 D C 0.783 177.050 176.300 -0.055 0.000 1.232 559 D CA 0.027 53.996 54.000 -0.053 0.000 0.913 559 D CB -0.333 40.443 40.800 -0.040 0.000 1.108 559 D HN 0.493 nan 8.370 nan 0.000 0.468 560 I N 0.732 121.257 120.570 -0.076 0.000 2.647 560 I HA 0.373 4.545 4.170 0.003 0.000 0.295 560 I C -1.103 174.916 176.117 -0.163 0.000 1.078 560 I CA -1.232 59.999 61.300 -0.115 0.000 1.048 560 I CB 2.025 39.991 38.000 -0.057 0.000 1.239 560 I HN -0.109 nan 8.210 nan 0.000 0.421 561 F N 4.794 124.458 119.950 -0.477 0.000 2.540 561 F HA 0.589 5.118 4.527 0.004 0.000 0.317 561 F C -1.175 174.157 175.800 -0.781 0.000 1.104 561 F CA -0.413 57.272 58.000 -0.524 0.000 0.913 561 F CB 1.362 40.149 39.000 -0.355 0.000 1.170 561 F HN 0.381 nan 8.300 nan 0.000 0.450 562 H N 2.319 120.614 119.070 -1.292 0.000 3.018 562 H HA 0.443 5.001 4.556 0.004 0.000 0.334 562 H C -0.533 174.161 175.328 -1.057 0.000 0.983 562 H CA -0.647 54.811 56.048 -0.983 0.000 1.363 562 H CB 1.690 31.115 29.762 -0.562 0.000 1.668 562 H HN 0.627 nan 8.280 nan 0.000 0.513 563 S N 0.000 115.267 115.700 -0.722 0.000 2.498 563 S HA 0.000 4.472 4.470 0.003 0.000 0.327 563 S CA 0.000 58.011 58.200 -0.315 0.000 1.107 563 S CB 0.000 63.157 63.200 -0.071 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517