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 2jl9_1_A DATA FIRST_RESID 3 DATA SEQUENCE RAPAFPLSDI KAQMLFANNI KAQQASKRSF KEGAIETYEG LLSVDPRFLS DATA SEQUENCE FKNELSRYLT DHFPANVDEY GRVYGNGVRT NFFGMRHMNG FPMIPATWPL DATA SEQUENCE ASNLKKRADA DLADGPVSER DNLLFRAAVR LMFSDLEPVP LKIRKGSSTC DATA SEQUENCE IPYFSNDMGT KIEIAERALE KAEEAGNLML QGKFDDAYQL HQMGGAYYVV DATA SEQUENCE YRAQSTDAIT LDPKTGKFVS KDRMVADFEY AVTGGEQGSL FAASKDASRL DATA SEQUENCE KEQYGIDVPD GFFCERRRTA MGGPFALNAP IMAVAQPVRN KIYSKYAYTF DATA SEQUENCE HHTTRLNKEE KVKEWSLCVA TDVSDHDTFW PGWLRDLICD ELLNMGYAPW DATA SEQUENCE WVKLFETSLK LPVYVGAPAP EQGHTLLGDP SNPDLEVGLS SGQGATDLMG DATA SEQUENCE TLLMSITYLV MQLDHTAPHL NSRIKDMPSA CRFLDSYWQG HEEIRQISKS DATA SEQUENCE DDAMLGWTKG RALVGGHRLF EMLKEGKVNP SPYMKISYQH GGAFLGDILL DATA SEQUENCE YDSRREPGSA IFVGNINSML NNQFSPEYGV QSGVRDRSKR KRPFPGLAWA DATA SEQUENCE SMKDTYGACP IYSDVLEAIE RCWWNAFGES YRAYREDMLK RDTLELSRYV DATA SEQUENCE ASMARQAGLA ELTPIDLEVL ADPNKLQYKW TEADVSANIH EVLMHGVSVE DATA SEQUENCE KTERFLRSVM P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.262 176.300 -0.064 0.000 0.893 3 R CA 0.000 56.057 56.100 -0.072 0.000 0.921 3 R CB 0.000 30.254 30.300 -0.076 0.000 0.687 4 A N 3.639 126.407 122.820 -0.087 0.000 2.318 4 A HA 0.739 5.467 4.320 0.680 0.000 0.317 4 A C -2.453 175.074 177.584 -0.095 0.000 1.159 4 A CA -1.895 50.100 52.037 -0.069 0.000 0.799 4 A CB 0.915 19.880 19.000 -0.059 0.000 1.194 4 A HN 0.586 nan 8.150 nan 0.000 0.479 5 P HA 0.334 nan 4.420 nan 0.000 0.265 5 P C -0.494 176.579 177.300 -0.378 0.000 1.193 5 P CA 0.426 63.380 63.100 -0.242 0.000 0.765 5 P CB 0.868 32.523 31.700 -0.076 0.000 0.823 6 A N 3.432 125.866 122.820 -0.643 0.000 2.476 6 A HA 0.622 5.350 4.320 0.680 0.000 0.280 6 A C -1.151 176.126 177.584 -0.512 0.000 1.081 6 A CA -0.510 51.300 52.037 -0.377 0.000 0.753 6 A CB 0.291 19.373 19.000 0.137 0.000 1.248 6 A HN 0.307 nan 8.150 nan 0.000 0.424 7 F N 2.414 122.441 119.950 0.127 0.000 2.458 7 F HA 0.734 5.669 4.527 0.679 0.000 0.330 7 F C -2.224 173.644 175.800 0.113 0.000 1.082 7 F CA -2.627 55.437 58.000 0.107 0.000 0.995 7 F CB 1.220 40.284 39.000 0.106 0.000 1.170 7 F HN 0.282 nan 8.300 nan 0.000 0.478 8 P HA 0.173 nan 4.420 nan 0.000 0.281 8 P C 0.595 178.044 177.300 0.247 0.000 1.281 8 P CA -0.560 62.653 63.100 0.189 0.000 0.811 8 P CB 1.067 32.837 31.700 0.117 0.000 1.154 9 L N 1.208 122.580 121.223 0.249 0.000 2.191 9 L HA -0.155 4.593 4.340 0.680 0.000 0.212 9 L C 1.856 178.849 176.870 0.204 0.000 1.103 9 L CA 2.247 57.263 54.840 0.294 0.000 0.769 9 L CB -1.822 40.412 42.059 0.292 0.000 0.908 9 L HN 0.371 nan 8.230 nan 0.000 0.438 10 S N -2.111 113.681 115.700 0.153 0.000 2.453 10 S HA -0.091 4.787 4.470 0.680 0.000 0.231 10 S C 1.024 175.694 174.600 0.117 0.000 1.005 10 S CA 0.164 58.432 58.200 0.113 0.000 0.949 10 S CB -0.635 62.616 63.200 0.084 0.000 0.774 10 S HN 0.574 nan 8.310 nan 0.000 0.510 11 D N 0.990 121.479 120.400 0.148 0.000 2.372 11 D HA 0.105 5.153 4.640 0.680 0.000 0.243 11 D C 1.158 177.512 176.300 0.090 0.000 1.121 11 D CA -0.249 53.828 54.000 0.129 0.000 0.898 11 D CB 1.035 41.950 40.800 0.192 0.000 1.202 11 D HN 0.140 nan 8.370 nan 0.000 0.428 12 I N 3.608 124.205 120.570 0.044 0.000 2.335 12 I HA -0.238 4.340 4.170 0.680 0.000 0.251 12 I C 1.935 178.046 176.117 -0.010 0.000 1.129 12 I CA 1.510 62.825 61.300 0.025 0.000 1.402 12 I CB 0.025 38.030 38.000 0.009 0.000 1.069 12 I HN 0.352 nan 8.210 nan 0.000 0.424 13 K N 0.651 120.992 120.400 -0.098 0.000 2.211 13 K HA -0.050 4.678 4.320 0.680 0.000 0.203 13 K C 2.097 178.655 176.600 -0.071 0.000 1.050 13 K CA 1.127 57.295 56.287 -0.199 0.000 0.945 13 K CB -0.262 31.907 32.500 -0.551 0.000 0.732 13 K HN 0.525 nan 8.250 nan 0.000 0.451 14 A N 1.395 124.261 122.820 0.077 0.000 1.832 14 A HA -0.148 4.580 4.320 0.680 0.000 0.214 14 A C 2.095 179.847 177.584 0.280 0.000 1.204 14 A CA 0.888 53.084 52.037 0.265 0.000 0.606 14 A CB -0.400 18.829 19.000 0.382 0.000 0.849 14 A HN 0.116 nan 8.150 nan 0.000 0.445 15 Q N -0.522 119.416 119.800 0.230 0.000 2.156 15 Q HA -0.200 4.547 4.340 0.680 0.000 0.211 15 Q C 2.004 178.123 176.000 0.198 0.000 0.995 15 Q CA 1.568 57.510 55.803 0.232 0.000 0.877 15 Q CB -0.489 28.331 28.738 0.136 0.000 0.920 15 Q HN 0.651 nan 8.270 nan 0.000 0.416 16 M N -0.149 119.508 119.600 0.094 0.000 2.632 16 M HA -0.075 4.813 4.480 0.680 0.000 0.256 16 M C 1.747 178.072 176.300 0.041 0.000 1.080 16 M CA 0.753 56.096 55.300 0.072 0.000 1.084 16 M CB -0.278 32.350 32.600 0.047 0.000 1.439 16 M HN 0.181 nan 8.290 nan 0.000 0.509 17 L N -1.189 119.958 121.223 -0.128 0.000 2.446 17 L HA 0.065 4.813 4.340 0.680 0.000 0.219 17 L C -0.223 176.251 176.870 -0.659 0.000 1.116 17 L CA 0.245 54.804 54.840 -0.469 0.000 0.844 17 L CB 0.080 41.626 42.059 -0.856 0.000 0.970 17 L HN 0.066 nan 8.230 nan 0.000 0.457 18 F N -0.159 119.806 119.950 0.026 0.000 2.477 18 F HA 0.596 5.531 4.527 0.680 0.000 0.335 18 F C 0.596 176.398 175.800 0.002 0.000 1.130 18 F CA -1.123 56.886 58.000 0.015 0.000 0.948 18 F CB 0.706 39.640 39.000 -0.110 0.000 1.154 18 F HN -0.238 nan 8.300 nan 0.000 0.439 19 A N 1.584 124.498 122.820 0.156 0.000 2.310 19 A HA 0.207 4.934 4.320 0.680 0.000 0.260 19 A C 0.516 178.173 177.584 0.123 0.000 1.112 19 A CA -0.479 51.625 52.037 0.112 0.000 0.804 19 A CB 0.129 19.216 19.000 0.144 0.000 1.081 19 A HN 0.731 nan 8.150 nan 0.000 0.499 20 N N 1.088 119.849 118.700 0.102 0.000 3.103 20 N HA 0.141 5.288 4.740 0.680 0.000 0.305 20 N C -0.873 174.678 175.510 0.067 0.000 1.232 20 N CA 0.072 53.165 53.050 0.071 0.000 1.190 20 N CB -1.043 37.477 38.487 0.056 0.000 1.461 20 N HN 0.726 nan 8.380 nan 0.000 0.538 21 N N -0.591 118.149 118.700 0.067 0.000 2.708 21 N HA 0.248 5.396 4.740 0.680 0.000 0.257 21 N C 0.525 176.047 175.510 0.020 0.000 1.373 21 N CA -0.752 52.328 53.050 0.049 0.000 0.843 21 N CB 0.557 39.088 38.487 0.072 0.000 1.503 21 N HN -0.275 nan 8.380 nan 0.000 0.504 22 I N 0.435 121.007 120.570 0.004 0.000 2.099 22 I HA -0.199 4.379 4.170 0.680 0.000 0.239 22 I C 2.012 178.101 176.117 -0.047 0.000 1.066 22 I CA 1.379 62.665 61.300 -0.022 0.000 1.324 22 I CB -1.159 36.831 38.000 -0.018 0.000 1.037 22 I HN 0.645 nan 8.210 nan 0.000 0.401 23 K N 0.965 121.351 120.400 -0.024 0.000 2.071 23 K HA -0.247 4.481 4.320 0.680 0.000 0.217 23 K C 2.138 178.650 176.600 -0.146 0.000 1.054 23 K CA 2.102 58.365 56.287 -0.039 0.000 0.937 23 K CB -0.753 31.770 32.500 0.038 0.000 0.719 23 K HN 0.420 nan 8.250 nan 0.000 0.454 24 A N 1.537 124.298 122.820 -0.099 0.000 1.841 24 A HA -0.186 4.541 4.320 0.680 0.000 0.214 24 A C 2.235 179.614 177.584 -0.341 0.000 1.195 24 A CA 1.349 53.235 52.037 -0.251 0.000 0.611 24 A CB -0.444 18.628 19.000 0.120 0.000 0.835 24 A HN 0.277 nan 8.150 nan 0.000 0.443 25 Q N -0.288 119.402 119.800 -0.182 0.000 2.077 25 Q HA -0.279 4.469 4.340 0.680 0.000 0.206 25 Q C 2.161 177.991 176.000 -0.283 0.000 0.989 25 Q CA 2.129 57.798 55.803 -0.223 0.000 0.853 25 Q CB -0.571 28.103 28.738 -0.107 0.000 0.907 25 Q HN 0.821 nan 8.270 nan 0.000 0.418 26 Q N -0.277 119.394 119.800 -0.215 0.000 2.135 26 Q HA -0.145 4.603 4.340 0.680 0.000 0.204 26 Q C 2.012 177.869 176.000 -0.239 0.000 0.981 26 Q CA 1.489 57.186 55.803 -0.176 0.000 0.856 26 Q CB -0.183 28.483 28.738 -0.120 0.000 0.902 26 Q HN 0.429 nan 8.270 nan 0.000 0.425 27 A N 0.653 123.225 122.820 -0.413 0.000 1.902 27 A HA -0.241 4.487 4.320 0.680 0.000 0.217 27 A C 2.228 179.572 177.584 -0.400 0.000 1.181 27 A CA 1.895 53.641 52.037 -0.485 0.000 0.623 27 A CB -0.817 17.446 19.000 -1.227 0.000 0.818 27 A HN 0.503 nan 8.150 nan 0.000 0.443 28 S N 0.190 115.386 115.700 -0.840 0.000 2.356 28 S HA -0.200 4.677 4.470 0.680 0.000 0.223 28 S C 1.834 176.223 174.600 -0.351 0.000 1.032 28 S CA 1.617 59.135 58.200 -1.137 0.000 1.005 28 S CB -0.425 61.697 63.200 -1.797 0.000 0.867 28 S HN 0.608 nan 8.310 nan 0.000 0.449 29 K N 0.526 120.804 120.400 -0.202 0.000 2.228 29 K HA 0.160 4.887 4.320 0.680 0.000 0.202 29 K C 0.829 177.525 176.600 0.161 0.000 1.051 29 K CA 0.023 56.351 56.287 0.068 0.000 0.960 29 K CB -0.139 32.375 32.500 0.023 0.000 0.743 29 K HN 0.186 nan 8.250 nan 0.000 0.458 30 R N 2.490 123.002 120.500 0.020 0.000 2.669 30 R HA -0.117 4.630 4.340 0.680 0.000 0.283 30 R C -0.472 175.929 176.300 0.168 0.000 0.851 30 R CA 0.406 56.546 56.100 0.067 0.000 1.126 30 R CB -0.104 30.231 30.300 0.060 0.000 0.883 30 R HN 0.180 nan 8.270 nan 0.000 0.418 31 S N 4.012 119.829 115.700 0.195 0.000 2.713 31 S HA 0.366 5.244 4.470 0.680 0.000 0.283 31 S C -0.157 174.592 174.600 0.249 0.000 1.161 31 S CA -0.975 57.384 58.200 0.265 0.000 0.999 31 S CB 0.705 64.019 63.200 0.190 0.000 1.039 31 S HN 0.473 nan 8.310 nan 0.000 0.548 32 F N 1.583 121.606 119.950 0.123 0.000 2.623 32 F HA 0.251 5.186 4.527 0.679 0.000 0.386 32 F C 0.417 176.260 175.800 0.072 0.000 1.068 32 F CA 0.527 58.579 58.000 0.088 0.000 1.265 32 F CB -0.005 39.044 39.000 0.082 0.000 1.026 32 F HN 0.618 nan 8.300 nan 0.000 0.568 33 K N 4.652 124.791 120.400 -0.434 0.000 2.324 33 K HA 0.450 5.178 4.320 0.680 0.000 0.253 33 K C -1.302 174.924 176.600 -0.623 0.000 0.932 33 K CA -0.687 55.384 56.287 -0.360 0.000 0.799 33 K CB 1.426 33.818 32.500 -0.181 0.000 1.154 33 K HN 0.729 nan 8.250 nan 0.000 0.425 34 E N 2.191 122.130 120.200 -0.436 0.000 2.381 34 E HA 0.597 5.354 4.350 0.680 0.000 0.286 34 E C -1.345 174.965 176.600 -0.484 0.000 0.960 34 E CA -0.781 55.328 56.400 -0.485 0.000 0.793 34 E CB 1.411 30.874 29.700 -0.394 0.000 1.225 34 E HN 0.736 nan 8.360 nan 0.000 0.420 35 G N 1.255 109.550 108.800 -0.840 0.000 2.328 35 G HA2 0.485 4.852 3.960 0.680 0.000 0.299 35 G HA3 0.485 4.852 3.960 0.680 0.000 0.299 35 G C -0.979 173.422 174.900 -0.832 0.000 1.435 35 G CA -0.334 44.206 45.100 -0.932 0.000 0.865 35 G HN 0.691 nan 8.290 nan 0.000 0.601 36 A N -0.318 122.261 122.820 -0.402 0.000 2.507 36 A HA 0.553 5.281 4.320 0.680 0.000 0.235 36 A C 0.829 178.354 177.584 -0.099 0.000 1.070 36 A CA 0.610 52.593 52.037 -0.091 0.000 0.768 36 A CB -0.190 18.872 19.000 0.103 0.000 1.011 36 A HN 1.844 nan 8.150 nan 0.000 0.502 37 I N -1.647 118.906 120.570 -0.029 0.000 2.607 37 I HA 0.500 5.077 4.170 0.680 0.000 0.305 37 I C 0.055 176.169 176.117 -0.006 0.000 0.995 37 I CA -0.619 60.666 61.300 -0.026 0.000 1.148 37 I CB 1.757 39.744 38.000 -0.021 0.000 1.323 37 I HN 0.730 nan 8.210 nan 0.000 0.461 38 E N 3.648 123.838 120.200 -0.017 0.000 1.775 38 E HA 0.088 4.845 4.350 0.680 0.000 0.266 38 E C 0.487 177.058 176.600 -0.048 0.000 1.191 38 E CA -0.084 56.305 56.400 -0.019 0.000 1.048 38 E CB 0.387 30.080 29.700 -0.011 0.000 1.081 38 E HN 0.787 nan 8.360 nan 0.000 0.434 39 T N 3.118 117.630 114.554 -0.071 0.000 2.597 39 T HA -0.198 4.560 4.350 0.680 0.000 0.267 39 T C 0.071 174.562 174.700 -0.348 0.000 1.053 39 T CA 1.611 63.612 62.100 -0.165 0.000 1.165 39 T CB -0.093 68.679 68.868 -0.160 0.000 0.863 39 T HN 0.345 nan 8.240 nan 0.000 0.427 40 Y N -0.257 120.050 120.300 0.011 0.000 2.693 40 Y HA 0.426 5.384 4.550 0.679 0.000 0.331 40 Y C 0.182 176.099 175.900 0.029 0.000 1.092 40 Y CA -1.691 56.439 58.100 0.051 0.000 1.131 40 Y CB 0.903 39.453 38.460 0.149 0.000 1.318 40 Y HN -0.058 nan 8.280 nan 0.000 0.510 41 E N 0.817 121.149 120.200 0.219 0.000 2.463 41 E HA 0.271 5.029 4.350 0.680 0.000 0.248 41 E C 0.409 177.067 176.600 0.097 0.000 1.106 41 E CA 1.032 57.494 56.400 0.105 0.000 0.946 41 E CB -0.432 29.305 29.700 0.061 0.000 0.971 41 E HN 0.848 nan 8.360 nan 0.000 0.478 42 G N 4.259 113.093 108.800 0.057 0.000 2.182 42 G HA2 -0.221 4.147 3.960 0.680 0.000 0.248 42 G HA3 -0.221 4.147 3.960 0.680 0.000 0.248 42 G C -0.374 174.543 174.900 0.028 0.000 1.042 42 G CA 0.027 45.150 45.100 0.038 0.000 0.775 42 G HN 0.482 nan 8.290 nan 0.000 0.501 43 L N 0.012 121.246 121.223 0.019 0.000 2.476 43 L HA 0.648 5.396 4.340 0.680 0.000 0.269 43 L C -0.776 176.060 176.870 -0.057 0.000 0.965 43 L CA -0.896 53.923 54.840 -0.035 0.000 0.845 43 L CB 1.554 43.564 42.059 -0.081 0.000 1.259 43 L HN 0.027 nan 8.230 nan 0.000 0.403 44 L N 2.868 124.076 121.223 -0.025 0.000 2.312 44 L HA 0.300 5.048 4.340 0.680 0.000 0.281 44 L C 1.639 178.547 176.870 0.064 0.000 1.070 44 L CA 0.366 55.215 54.840 0.015 0.000 0.805 44 L CB 1.906 43.992 42.059 0.044 0.000 1.174 44 L HN 0.761 nan 8.230 nan 0.000 0.434 45 S N 1.417 117.187 115.700 0.117 0.000 2.440 45 S HA -0.161 4.717 4.470 0.680 0.000 0.240 45 S C 1.244 176.054 174.600 0.349 0.000 1.014 45 S CA 1.234 59.603 58.200 0.282 0.000 0.980 45 S CB -0.538 62.807 63.200 0.241 0.000 0.775 45 S HN 0.639 nan 8.310 nan 0.000 0.499 46 V N -1.371 118.675 119.914 0.219 0.000 3.605 46 V HA 0.259 4.787 4.120 0.680 0.000 0.284 46 V C 0.325 176.471 176.094 0.085 0.000 1.386 46 V CA -0.068 62.312 62.300 0.133 0.000 1.053 46 V CB -0.475 31.407 31.823 0.098 0.000 0.857 46 V HN 0.293 nan 8.190 nan 0.000 0.436 47 D N 2.754 123.228 120.400 0.122 0.000 2.793 47 D HA -0.022 5.026 4.640 0.680 0.000 0.230 47 D C -1.359 174.978 176.300 0.061 0.000 1.139 47 D CA -0.409 53.644 54.000 0.089 0.000 0.838 47 D CB 1.760 42.630 40.800 0.116 0.000 1.149 47 D HN 0.244 nan 8.370 nan 0.000 0.526 48 P HA -0.096 nan 4.420 nan 0.000 0.221 48 P C 1.251 178.467 177.300 -0.140 0.000 1.145 48 P CA 0.977 64.022 63.100 -0.092 0.000 0.795 48 P CB 0.241 31.885 31.700 -0.093 0.000 0.775 49 R N -1.975 118.423 120.500 -0.169 0.000 2.062 49 R HA -0.071 4.677 4.340 0.680 0.000 0.229 49 R C 2.114 178.157 176.300 -0.428 0.000 1.128 49 R CA 1.063 56.908 56.100 -0.424 0.000 0.960 49 R CB -0.939 29.003 30.300 -0.596 0.000 0.855 49 R HN 0.114 nan 8.270 nan 0.000 0.432 50 F N 1.300 121.102 119.950 -0.247 0.000 2.134 50 F HA -0.118 4.816 4.527 0.679 0.000 0.299 50 F C 1.714 177.544 175.800 0.048 0.000 1.097 50 F CA 1.333 59.344 58.000 0.018 0.000 1.264 50 F CB -0.301 38.807 39.000 0.179 0.000 1.001 50 F HN -0.066 nan 8.300 nan 0.000 0.479 51 L N -0.988 120.213 121.223 -0.038 0.000 2.017 51 L HA -0.248 4.500 4.340 0.680 0.000 0.208 51 L C 2.762 179.538 176.870 -0.157 0.000 1.073 51 L CA 1.625 56.334 54.840 -0.219 0.000 0.745 51 L CB -1.216 40.617 42.059 -0.376 0.000 0.894 51 L HN 0.216 nan 8.230 nan 0.000 0.432 52 S N 0.293 115.904 115.700 -0.149 0.000 2.359 52 S HA -0.298 4.580 4.470 0.680 0.000 0.223 52 S C 2.072 176.614 174.600 -0.098 0.000 1.039 52 S CA 1.778 59.909 58.200 -0.114 0.000 1.042 52 S CB -0.546 62.558 63.200 -0.159 0.000 0.915 52 S HN 0.420 nan 8.310 nan 0.000 0.439 53 F N 1.924 121.702 119.950 -0.287 0.000 2.147 53 F HA -0.129 4.806 4.527 0.680 0.000 0.301 53 F C 2.130 177.796 175.800 -0.223 0.000 1.084 53 F CA 2.109 59.949 58.000 -0.267 0.000 1.268 53 F CB -0.351 38.464 39.000 -0.308 0.000 1.009 53 F HN 0.197 nan 8.300 nan 0.000 0.486 54 K N -0.015 120.188 120.400 -0.329 0.000 2.031 54 K HA -0.189 4.539 4.320 0.680 0.000 0.205 54 K C 1.987 178.527 176.600 -0.099 0.000 1.049 54 K CA 1.458 57.564 56.287 -0.301 0.000 0.939 54 K CB -0.470 31.973 32.500 -0.095 0.000 0.717 54 K HN 0.360 nan 8.250 nan 0.000 0.438 55 N N 0.940 119.688 118.700 0.080 0.000 2.149 55 N HA -0.214 4.933 4.740 0.680 0.000 0.188 55 N C 1.801 177.335 175.510 0.041 0.000 1.019 55 N CA 1.257 54.382 53.050 0.125 0.000 0.857 55 N CB 0.196 38.811 38.487 0.213 0.000 0.997 55 N HN 0.204 nan 8.380 nan 0.000 0.426 56 E N -0.404 119.766 120.200 -0.050 0.000 2.033 56 E HA -0.141 4.617 4.350 0.680 0.000 0.189 56 E C 1.845 178.390 176.600 -0.093 0.000 0.979 56 E CA 0.563 56.930 56.400 -0.055 0.000 0.802 56 E CB -0.110 29.535 29.700 -0.092 0.000 0.763 56 E HN 0.282 nan 8.360 nan 0.000 0.449 57 L N 1.379 122.422 121.223 -0.300 0.000 2.079 57 L HA -0.182 4.566 4.340 0.680 0.000 0.210 57 L C 2.424 179.196 176.870 -0.163 0.000 1.081 57 L CA 2.408 57.054 54.840 -0.324 0.000 0.752 57 L CB -0.962 40.665 42.059 -0.720 0.000 0.896 57 L HN 0.207 nan 8.230 nan 0.000 0.433 58 S N -0.565 115.070 115.700 -0.107 0.000 2.348 58 S HA -0.232 4.645 4.470 0.680 0.000 0.221 58 S C 2.116 176.759 174.600 0.071 0.000 1.033 58 S CA 1.121 59.325 58.200 0.008 0.000 1.010 58 S CB -0.694 62.577 63.200 0.118 0.000 0.891 58 S HN 0.508 nan 8.310 nan 0.000 0.442 59 R N -0.272 120.359 120.500 0.220 0.000 2.073 59 R HA -0.080 4.668 4.340 0.680 0.000 0.234 59 R C 2.378 178.805 176.300 0.212 0.000 1.134 59 R CA 1.686 57.978 56.100 0.319 0.000 0.952 59 R CB -0.742 29.739 30.300 0.302 0.000 0.850 59 R HN 0.592 nan 8.270 nan 0.000 0.433 60 Y N 1.719 122.046 120.300 0.045 0.000 2.097 60 Y HA -0.204 4.754 4.550 0.680 0.000 0.282 60 Y C 2.095 178.029 175.900 0.057 0.000 1.152 60 Y CA 1.561 59.683 58.100 0.036 0.000 1.136 60 Y CB -0.348 38.071 38.460 -0.068 0.000 0.975 60 Y HN -0.053 nan 8.280 nan 0.000 0.498 61 L N -1.034 120.135 121.223 -0.090 0.000 2.056 61 L HA -0.228 4.520 4.340 0.680 0.000 0.207 61 L C 2.287 179.140 176.870 -0.029 0.000 1.078 61 L CA 1.861 56.522 54.840 -0.299 0.000 0.749 61 L CB -1.127 40.286 42.059 -1.077 0.000 0.901 61 L HN 0.236 nan 8.230 nan 0.000 0.433 62 T N -0.915 113.684 114.554 0.075 0.000 2.699 62 T HA -0.230 4.528 4.350 0.680 0.000 0.268 62 T C 1.457 176.215 174.700 0.096 0.000 1.036 62 T CA 1.776 63.952 62.100 0.127 0.000 1.147 62 T CB -0.217 68.465 68.868 -0.310 0.000 0.862 62 T HN 0.313 nan 8.240 nan 0.000 0.446 63 D N 0.543 120.980 120.400 0.061 0.000 2.077 63 D HA -0.080 4.968 4.640 0.680 0.000 0.197 63 D C 1.690 177.927 176.300 -0.104 0.000 0.983 63 D CA 1.146 55.151 54.000 0.008 0.000 0.841 63 D CB -0.346 40.486 40.800 0.053 0.000 0.992 63 D HN 0.412 nan 8.370 nan 0.000 0.450 64 H N -1.867 117.004 119.070 -0.331 0.000 2.562 64 H HA 0.166 5.130 4.556 0.679 0.000 0.272 64 H C -0.326 174.543 175.328 -0.765 0.000 1.019 64 H CA 0.459 56.173 56.048 -0.557 0.000 1.160 64 H CB -0.261 29.006 29.762 -0.826 0.000 1.334 64 H HN 0.065 nan 8.280 nan 0.000 0.611 65 F N -0.861 119.091 119.950 0.004 0.000 2.753 65 F HA 0.271 5.206 4.527 0.679 0.000 0.379 65 F C -2.565 173.301 175.800 0.109 0.000 1.419 65 F CA -2.020 56.022 58.000 0.070 0.000 1.113 65 F CB 0.957 40.032 39.000 0.124 0.000 2.071 65 F HN -0.079 nan 8.300 nan 0.000 0.563 66 P HA 0.217 nan 4.420 nan 0.000 0.282 66 P C -0.208 177.131 177.300 0.065 0.000 1.286 66 P CA -0.405 62.755 63.100 0.101 0.000 0.777 66 P CB 0.670 32.401 31.700 0.052 0.000 1.184 67 A N 0.638 123.467 122.820 0.015 0.000 2.454 67 A HA 0.128 4.856 4.320 0.680 0.000 0.260 67 A C 0.154 177.692 177.584 -0.076 0.000 1.106 67 A CA -0.167 51.850 52.037 -0.032 0.000 0.780 67 A CB -0.979 18.012 19.000 -0.015 0.000 1.044 67 A HN 0.485 nan 8.150 nan 0.000 0.498 68 N N 2.223 120.793 118.700 -0.217 0.000 3.229 68 N HA 0.327 5.475 4.740 0.680 0.000 0.275 68 N C -1.281 173.898 175.510 -0.551 0.000 1.225 68 N CA -0.136 52.551 53.050 -0.606 0.000 1.119 68 N CB 0.861 38.748 38.487 -1.000 0.000 1.392 68 N HN 0.348 nan 8.380 nan 0.000 0.520 69 V N 1.937 121.783 119.914 -0.113 0.000 2.443 69 V HA 0.083 4.611 4.120 0.680 0.000 0.293 69 V C 0.047 176.255 176.094 0.191 0.000 1.021 69 V CA -0.986 61.327 62.300 0.021 0.000 0.848 69 V CB 1.512 33.241 31.823 -0.157 0.000 0.998 69 V HN 0.497 nan 8.190 nan 0.000 0.424 70 D N 3.323 123.924 120.400 0.334 0.000 2.356 70 D HA 0.065 5.113 4.640 0.680 0.000 0.258 70 D C 0.941 177.361 176.300 0.201 0.000 1.279 70 D CA -0.316 53.847 54.000 0.273 0.000 1.016 70 D CB 0.839 41.764 40.800 0.209 0.000 1.107 70 D HN 0.469 nan 8.370 nan 0.000 0.544 71 E N -1.475 118.832 120.200 0.178 0.000 2.204 71 E HA -0.140 4.618 4.350 0.680 0.000 0.194 71 E C 0.611 177.212 176.600 0.003 0.000 0.989 71 E CA 1.034 57.484 56.400 0.083 0.000 0.824 71 E CB -0.495 29.185 29.700 -0.033 0.000 0.756 71 E HN 0.469 nan 8.360 nan 0.000 0.477 72 Y N 0.172 120.539 120.300 0.111 0.000 2.718 72 Y HA 0.292 5.250 4.550 0.680 0.000 0.322 72 Y C 1.343 177.491 175.900 0.413 0.000 1.122 72 Y CA -0.091 58.106 58.100 0.162 0.000 1.348 72 Y CB 0.301 38.757 38.460 -0.006 0.000 1.174 72 Y HN 0.082 nan 8.280 nan 0.000 0.523 73 G N 1.275 110.384 108.800 0.515 0.000 2.296 73 G HA2 -0.340 4.028 3.960 0.680 0.000 0.282 73 G HA3 -0.340 4.028 3.960 0.680 0.000 0.282 73 G C 0.251 175.339 174.900 0.313 0.000 1.014 73 G CA -0.041 45.268 45.100 0.348 0.000 0.812 73 G HN 0.394 nan 8.290 nan 0.000 0.508 74 R N -0.897 119.809 120.500 0.344 0.000 2.404 74 R HA 0.590 5.338 4.340 0.680 0.000 0.291 74 R C -0.120 176.409 176.300 0.381 0.000 1.025 74 R CA -0.553 55.809 56.100 0.436 0.000 0.991 74 R CB 2.329 32.801 30.300 0.286 0.000 1.053 74 R HN 0.338 nan 8.270 nan 0.000 0.479 75 V N 4.694 124.831 119.914 0.371 0.000 2.417 75 V HA 0.530 5.058 4.120 0.680 0.000 0.291 75 V C -1.202 175.038 176.094 0.243 0.000 1.024 75 V CA -0.381 62.032 62.300 0.189 0.000 0.861 75 V CB 0.810 32.663 31.823 0.051 0.000 0.985 75 V HN 0.783 nan 8.190 nan 0.000 0.436 76 Y N 4.482 124.856 120.300 0.122 0.000 2.857 76 Y HA 0.947 5.904 4.550 0.678 0.000 0.318 76 Y C 1.055 177.011 175.900 0.092 0.000 1.313 76 Y CA -0.345 57.824 58.100 0.115 0.000 1.117 76 Y CB 0.627 39.158 38.460 0.118 0.000 1.344 76 Y HN 1.229 nan 8.280 nan 0.000 0.525 77 G N 1.788 110.770 108.800 0.303 0.000 2.698 77 G HA2 -0.510 3.858 3.960 0.680 0.000 0.337 77 G HA3 -0.510 3.858 3.960 0.680 0.000 0.337 77 G C 0.773 175.722 174.900 0.082 0.000 1.196 77 G CA 1.462 46.681 45.100 0.198 0.000 0.965 77 G HN 1.446 nan 8.290 nan 0.000 0.550 78 N N 2.419 121.137 118.700 0.030 0.000 2.494 78 N HA 0.334 5.482 4.740 0.680 0.000 0.182 78 N C 1.924 177.472 175.510 0.064 0.000 1.076 78 N CA 1.991 55.097 53.050 0.093 0.000 0.908 78 N CB -0.216 38.381 38.487 0.183 0.000 0.967 78 N HN 2.318 nan 8.380 nan 0.000 0.449 79 G N -1.048 107.754 108.800 0.003 0.000 2.253 79 G HA2 -0.271 4.097 3.960 0.680 0.000 0.251 79 G HA3 -0.271 4.097 3.960 0.680 0.000 0.251 79 G C -0.234 174.662 174.900 -0.006 0.000 0.998 79 G CA 0.256 45.362 45.100 0.011 0.000 0.621 79 G HN 0.336 nan 8.290 nan 0.000 0.524 80 V N 2.031 121.941 119.914 -0.006 0.000 2.470 80 V HA 0.394 4.921 4.120 0.680 0.000 0.276 80 V C 1.484 177.521 176.094 -0.094 0.000 1.040 80 V CA 0.988 63.267 62.300 -0.034 0.000 1.008 80 V CB 1.087 32.942 31.823 0.053 0.000 0.990 80 V HN 0.641 nan 8.190 nan 0.000 0.477 81 R N 2.873 123.302 120.500 -0.118 0.000 2.468 81 R HA 0.447 5.195 4.340 0.680 0.000 0.280 81 R C 0.324 176.567 176.300 -0.096 0.000 0.963 81 R CA 0.171 56.218 56.100 -0.088 0.000 1.083 81 R CB 0.721 30.992 30.300 -0.049 0.000 1.200 81 R HN 0.666 nan 8.270 nan 0.000 0.541 82 T N -0.609 113.831 114.554 -0.191 0.000 2.649 82 T HA 0.099 4.857 4.350 0.680 0.000 0.287 82 T C -1.675 172.814 174.700 -0.352 0.000 1.933 82 T CA -0.592 61.396 62.100 -0.187 0.000 0.943 82 T CB 0.146 68.928 68.868 -0.143 0.000 2.078 82 T HN 0.456 nan 8.240 nan 0.000 0.455 83 N N 0.135 118.668 118.700 -0.278 0.000 2.381 83 N HA 0.389 5.537 4.740 0.680 0.000 0.254 83 N C -0.112 175.060 175.510 -0.565 0.000 1.264 83 N CA -0.241 52.575 53.050 -0.390 0.000 0.942 83 N CB -0.004 38.318 38.487 -0.276 0.000 1.190 83 N HN 0.496 nan 8.380 nan 0.000 0.495 84 F N -1.638 118.041 119.950 -0.451 0.000 2.647 84 F HA 0.389 5.324 4.527 0.680 0.000 0.300 84 F C 0.406 176.064 175.800 -0.236 0.000 1.106 84 F CA -0.486 57.348 58.000 -0.276 0.000 1.313 84 F CB -0.301 38.565 39.000 -0.224 0.000 1.007 84 F HN 0.382 nan 8.300 nan 0.000 0.536 85 F N -0.483 119.491 119.950 0.040 0.000 2.811 85 F HA 0.088 5.023 4.527 0.680 0.000 0.301 85 F C 2.326 178.037 175.800 -0.149 0.000 1.151 85 F CA 0.166 58.104 58.000 -0.103 0.000 1.412 85 F CB -0.354 38.556 39.000 -0.150 0.000 1.113 85 F HN 0.137 nan 8.300 nan 0.000 0.579 86 G N 1.520 110.372 108.800 0.087 0.000 2.442 86 G HA2 -0.312 4.056 3.960 0.680 0.000 0.219 86 G HA3 -0.312 4.056 3.960 0.680 0.000 0.219 86 G C 1.644 176.616 174.900 0.119 0.000 1.141 86 G CA 1.014 46.172 45.100 0.098 0.000 0.763 86 G HN 0.492 nan 8.290 nan 0.000 0.554 87 M N -0.526 119.142 119.600 0.113 0.000 2.630 87 M HA 0.248 5.135 4.480 0.680 0.000 0.254 87 M C 1.469 177.832 176.300 0.106 0.000 1.092 87 M CA 0.726 56.124 55.300 0.164 0.000 1.087 87 M CB 0.032 32.739 32.600 0.179 0.000 1.453 87 M HN -0.091 nan 8.290 nan 0.000 0.509 88 R N 1.708 122.130 120.500 -0.130 0.000 4.464 88 R HA 0.176 4.924 4.340 0.680 0.000 0.229 88 R C -0.679 175.493 176.300 -0.213 0.000 1.916 88 R CA 0.023 55.907 56.100 -0.361 0.000 1.601 88 R CB -0.418 29.393 30.300 -0.815 0.000 1.315 88 R HN 0.479 nan 8.270 nan 0.000 0.725 89 H N 0.142 119.394 119.070 0.303 0.000 2.679 89 H HA 0.235 5.199 4.556 0.679 0.000 0.367 89 H C 0.382 175.919 175.328 0.347 0.000 1.162 89 H CA -0.881 55.365 56.048 0.331 0.000 1.181 89 H CB 1.682 31.577 29.762 0.221 0.000 1.693 89 H HN -0.062 nan 8.280 nan 0.000 0.538 90 M N 2.431 122.295 119.600 0.440 0.000 3.436 90 M HA 0.035 4.923 4.480 0.680 0.000 0.240 90 M C -0.209 176.330 176.300 0.398 0.000 1.469 90 M CA -0.393 55.109 55.300 0.336 0.000 1.622 90 M CB -1.503 31.225 32.600 0.214 0.000 1.098 90 M HN 0.296 nan 8.290 nan 0.000 0.568 91 N N 2.305 121.204 118.700 0.330 0.000 2.236 91 N HA 0.031 5.179 4.740 0.680 0.000 0.274 91 N C 1.337 176.932 175.510 0.142 0.000 1.339 91 N CA 1.182 54.364 53.050 0.221 0.000 0.845 91 N CB 0.213 38.822 38.487 0.204 0.000 1.091 91 N HN 0.891 nan 8.380 nan 0.000 0.489 92 G N 0.873 109.680 108.800 0.012 0.000 2.205 92 G HA2 -0.190 4.178 3.960 0.680 0.000 0.180 92 G HA3 -0.190 4.178 3.960 0.680 0.000 0.180 92 G C -0.500 174.081 174.900 -0.533 0.000 1.004 92 G CA -0.623 44.319 45.100 -0.263 0.000 0.670 92 G HN 0.423 nan 8.290 nan 0.000 0.496 93 F N 1.728 121.677 119.950 -0.002 0.000 2.496 93 F HA 0.546 5.481 4.527 0.679 0.000 0.341 93 F C -2.271 173.562 175.800 0.056 0.000 1.134 93 F CA -2.352 55.659 58.000 0.019 0.000 0.968 93 F CB 2.449 41.473 39.000 0.039 0.000 1.205 93 F HN -0.170 nan 8.300 nan 0.000 0.436 94 P HA 0.240 nan 4.420 nan 0.000 0.276 94 P C -0.328 177.086 177.300 0.190 0.000 1.244 94 P CA -0.711 62.479 63.100 0.150 0.000 0.801 94 P CB 0.635 32.428 31.700 0.155 0.000 1.006 95 M N 0.534 120.204 119.600 0.116 0.000 2.243 95 M HA 0.381 5.269 4.480 0.680 0.000 0.341 95 M C -0.616 175.735 176.300 0.085 0.000 1.130 95 M CA 0.393 55.755 55.300 0.104 0.000 1.162 95 M CB -0.105 32.526 32.600 0.052 0.000 1.497 95 M HN 0.004 nan 8.290 nan 0.000 0.456 96 I N 3.583 124.200 120.570 0.078 0.000 2.378 96 I HA 0.609 5.187 4.170 0.680 0.000 0.291 96 I C -2.250 173.896 176.117 0.048 0.000 0.992 96 I CA -2.766 58.548 61.300 0.022 0.000 1.154 96 I CB 0.970 38.964 38.000 -0.009 0.000 1.315 96 I HN 0.604 nan 8.210 nan 0.000 0.448 97 P HA 0.590 nan 4.420 nan 0.000 0.292 97 P C -1.154 176.077 177.300 -0.116 0.000 1.304 97 P CA -0.761 62.309 63.100 -0.049 0.000 0.848 97 P CB 1.391 33.104 31.700 0.022 0.000 1.260 98 A N -0.323 122.355 122.820 -0.237 0.000 2.286 98 A HA 0.491 5.218 4.320 0.680 0.000 0.286 98 A C 0.477 177.915 177.584 -0.244 0.000 1.097 98 A CA -0.221 51.614 52.037 -0.337 0.000 0.821 98 A CB -0.533 18.022 19.000 -0.741 0.000 1.076 98 A HN 0.542 nan 8.150 nan 0.000 0.490 99 T N 0.724 115.189 114.554 -0.147 0.000 2.939 99 T HA 0.059 4.817 4.350 0.680 0.000 0.312 99 T C -0.353 174.389 174.700 0.070 0.000 1.064 99 T CA 0.606 62.687 62.100 -0.033 0.000 1.136 99 T CB -0.241 68.615 68.868 -0.020 0.000 1.035 99 T HN 0.363 nan 8.240 nan 0.000 0.538 100 W N 6.249 127.562 121.300 0.022 0.000 2.218 100 W HA 0.366 5.433 4.660 0.679 0.000 0.326 100 W C -1.727 174.827 176.519 0.057 0.000 1.276 100 W CA -1.934 55.467 57.345 0.094 0.000 1.210 100 W CB 0.471 30.007 29.460 0.127 0.000 1.143 100 W HN 0.516 nan 8.180 nan 0.000 0.563 101 P HA 0.134 nan 4.420 nan 0.000 0.281 101 P C -0.874 176.512 177.300 0.143 0.000 1.252 101 P CA -0.303 62.867 63.100 0.118 0.000 0.778 101 P CB 1.191 32.917 31.700 0.044 0.000 0.895 102 L N 3.458 124.733 121.223 0.087 0.000 2.361 102 L HA 0.198 4.946 4.340 0.680 0.000 0.278 102 L C 1.701 178.599 176.870 0.048 0.000 1.113 102 L CA 0.147 55.038 54.840 0.084 0.000 0.849 102 L CB 0.640 42.736 42.059 0.063 0.000 1.155 102 L HN 0.465 nan 8.230 nan 0.000 0.452 103 A N 2.679 125.524 122.820 0.041 0.000 2.119 103 A HA 0.057 4.785 4.320 0.680 0.000 0.217 103 A C 0.968 178.558 177.584 0.010 0.000 1.153 103 A CA 0.890 52.942 52.037 0.026 0.000 0.692 103 A CB -0.053 18.954 19.000 0.013 0.000 0.799 103 A HN 0.553 nan 8.150 nan 0.000 0.458 104 S N -0.407 115.294 115.700 0.003 0.000 2.649 104 S HA 0.338 5.216 4.470 0.680 0.000 0.274 104 S C -0.033 174.568 174.600 0.002 0.000 1.176 104 S CA -0.383 57.819 58.200 0.002 0.000 0.988 104 S CB 0.633 63.830 63.200 -0.006 0.000 1.071 104 S HN 0.480 nan 8.310 nan 0.000 0.478 105 N N 5.687 124.391 118.700 0.006 0.000 2.336 105 N HA 0.087 5.235 4.740 0.680 0.000 0.189 105 N C 1.242 176.771 175.510 0.032 0.000 1.113 105 N CA 0.059 53.106 53.050 -0.005 0.000 0.858 105 N CB -0.353 38.115 38.487 -0.032 0.000 0.970 105 N HN 0.608 nan 8.380 nan 0.000 0.471 106 L N 0.366 121.613 121.223 0.040 0.000 1.989 106 L HA -0.128 4.620 4.340 0.680 0.000 0.211 106 L C 2.654 179.559 176.870 0.058 0.000 1.071 106 L CA 1.565 56.442 54.840 0.062 0.000 0.749 106 L CB -0.454 41.635 42.059 0.050 0.000 0.890 106 L HN 0.218 nan 8.230 nan 0.000 0.431 107 K N 0.828 121.245 120.400 0.029 0.000 2.057 107 K HA -0.246 4.481 4.320 0.680 0.000 0.207 107 K C 2.249 178.882 176.600 0.055 0.000 1.049 107 K CA 1.558 57.860 56.287 0.025 0.000 0.931 107 K CB -0.042 32.448 32.500 -0.016 0.000 0.714 107 K HN 0.072 nan 8.250 nan 0.000 0.440 108 K N 0.624 121.054 120.400 0.051 0.000 2.089 108 K HA -0.215 4.513 4.320 0.680 0.000 0.210 108 K C 2.129 178.839 176.600 0.183 0.000 1.048 108 K CA 1.696 58.027 56.287 0.073 0.000 0.926 108 K CB -0.035 32.441 32.500 -0.040 0.000 0.714 108 K HN 0.127 nan 8.250 nan 0.000 0.448 109 R N -0.624 119.995 120.500 0.198 0.000 2.090 109 R HA -0.018 4.730 4.340 0.680 0.000 0.228 109 R C 2.298 178.713 176.300 0.192 0.000 1.110 109 R CA 1.040 57.315 56.100 0.291 0.000 0.973 109 R CB -0.102 30.349 30.300 0.252 0.000 0.869 109 R HN 0.280 nan 8.270 nan 0.000 0.440 110 A N 0.963 123.862 122.820 0.131 0.000 1.930 110 A HA -0.101 4.627 4.320 0.680 0.000 0.215 110 A C 1.350 178.982 177.584 0.080 0.000 1.176 110 A CA 1.218 53.308 52.037 0.089 0.000 0.632 110 A CB -0.115 18.923 19.000 0.063 0.000 0.819 110 A HN 0.112 nan 8.150 nan 0.000 0.445 111 D N 0.283 120.737 120.400 0.090 0.000 2.263 111 D HA 0.011 5.059 4.640 0.680 0.000 0.208 111 D C 1.566 177.924 176.300 0.098 0.000 0.971 111 D CA 1.254 55.304 54.000 0.083 0.000 0.867 111 D CB -0.116 40.735 40.800 0.084 0.000 0.929 111 D HN 0.433 nan 8.370 nan 0.000 0.492 112 A N -0.004 122.896 122.820 0.133 0.000 2.379 112 A HA 0.047 4.775 4.320 0.680 0.000 0.236 112 A C 0.115 177.731 177.584 0.053 0.000 1.272 112 A CA -0.153 51.955 52.037 0.117 0.000 0.886 112 A CB 0.121 19.243 19.000 0.203 0.000 0.962 112 A HN -0.015 nan 8.150 nan 0.000 0.504 113 D N -0.269 120.162 120.400 0.051 0.000 2.737 113 D HA -0.131 4.917 4.640 0.680 0.000 0.238 113 D C -0.712 175.591 176.300 0.005 0.000 1.157 113 D CA 0.958 54.972 54.000 0.023 0.000 0.694 113 D CB -0.838 39.969 40.800 0.011 0.000 1.021 113 D HN 0.436 nan 8.370 nan 0.000 0.420 114 L N -0.167 121.074 121.223 0.031 0.000 2.323 114 L HA 0.724 5.472 4.340 0.680 0.000 0.265 114 L C 0.659 177.569 176.870 0.065 0.000 1.012 114 L CA -0.941 53.919 54.840 0.034 0.000 0.820 114 L CB 1.683 43.778 42.059 0.060 0.000 1.334 114 L HN 0.083 nan 8.230 nan 0.000 0.427 115 A N 0.286 123.145 122.820 0.065 0.000 2.371 115 A HA 0.273 5.001 4.320 0.680 0.000 0.257 115 A C 0.248 177.887 177.584 0.092 0.000 1.089 115 A CA -0.294 51.753 52.037 0.017 0.000 0.794 115 A CB 0.135 19.079 19.000 -0.093 0.000 1.029 115 A HN 0.829 nan 8.150 nan 0.000 0.488 116 D N 0.848 121.193 120.400 -0.092 0.000 2.370 116 D HA 0.394 5.442 4.640 0.680 0.000 0.230 116 D C 0.397 176.179 176.300 -0.863 0.000 1.143 116 D CA 0.657 54.549 54.000 -0.180 0.000 0.834 116 D CB -0.241 40.520 40.800 -0.063 0.000 0.944 116 D HN 0.972 nan 8.370 nan 0.000 0.504 117 G N -0.255 107.686 108.800 -1.431 0.000 2.328 117 G HA2 0.283 4.650 3.960 0.680 0.000 0.299 117 G HA3 0.283 4.650 3.960 0.680 0.000 0.299 117 G C -3.238 171.006 174.900 -1.094 0.000 1.435 117 G CA -1.157 42.826 45.100 -1.863 0.000 0.865 117 G HN -0.103 nan 8.290 nan 0.000 0.601 118 P HA 0.192 nan 4.420 nan 0.000 0.263 118 P C 1.187 178.484 177.300 -0.006 0.000 1.195 118 P CA 0.065 63.148 63.100 -0.029 0.000 0.762 118 P CB 1.393 33.153 31.700 0.101 0.000 0.799 119 V N 2.551 122.532 119.914 0.111 0.000 2.535 119 V HA -0.031 4.497 4.120 0.680 0.000 0.246 119 V C 0.665 176.753 176.094 -0.009 0.000 1.045 119 V CA 1.974 64.261 62.300 -0.021 0.000 1.058 119 V CB -0.372 31.395 31.823 -0.092 0.000 0.689 119 V HN 0.607 nan 8.190 nan 0.000 0.461 120 S N -0.724 114.997 115.700 0.035 0.000 2.664 120 S HA 0.498 5.376 4.470 0.680 0.000 0.304 120 S C 0.596 175.202 174.600 0.011 0.000 1.099 120 S CA 0.155 58.359 58.200 0.006 0.000 1.003 120 S CB 1.609 64.808 63.200 -0.002 0.000 1.092 120 S HN 0.328 nan 8.310 nan 0.000 0.525 121 E N 0.760 120.955 120.200 -0.009 0.000 2.268 121 E HA -0.088 4.670 4.350 0.680 0.000 0.195 121 E C 1.974 178.565 176.600 -0.014 0.000 0.995 121 E CA 1.086 57.481 56.400 -0.008 0.000 0.836 121 E CB -0.126 29.564 29.700 -0.017 0.000 0.763 121 E HN 0.678 nan 8.360 nan 0.000 0.491 122 R N 0.282 120.765 120.500 -0.029 0.000 2.066 122 R HA -0.127 4.621 4.340 0.680 0.000 0.232 122 R C 1.136 177.399 176.300 -0.063 0.000 1.131 122 R CA 1.770 57.837 56.100 -0.055 0.000 0.955 122 R CB -0.257 29.996 30.300 -0.078 0.000 0.851 122 R HN 0.130 nan 8.270 nan 0.000 0.432 123 D N 0.526 120.909 120.400 -0.030 0.000 2.123 123 D HA -0.178 4.870 4.640 0.680 0.000 0.196 123 D C 1.575 177.865 176.300 -0.016 0.000 0.992 123 D CA 1.327 55.284 54.000 -0.071 0.000 0.833 123 D CB -0.631 40.259 40.800 0.150 0.000 0.954 123 D HN 0.292 nan 8.370 nan 0.000 0.455 124 N N 0.060 118.814 118.700 0.090 0.000 2.205 124 N HA -0.113 5.035 4.740 0.680 0.000 0.186 124 N C 1.744 177.308 175.510 0.091 0.000 1.015 124 N CA 0.705 53.838 53.050 0.139 0.000 0.862 124 N CB -0.174 38.359 38.487 0.076 0.000 0.986 124 N HN 0.149 nan 8.380 nan 0.000 0.429 125 L N -0.308 120.924 121.223 0.015 0.000 2.072 125 L HA -0.066 4.682 4.340 0.680 0.000 0.205 125 L C 2.152 179.006 176.870 -0.027 0.000 1.079 125 L CA 0.673 55.511 54.840 -0.002 0.000 0.752 125 L CB -0.361 41.681 42.059 -0.027 0.000 0.906 125 L HN 0.229 nan 8.230 nan 0.000 0.436 126 L N -1.411 119.742 121.223 -0.117 0.000 2.083 126 L HA -0.205 4.543 4.340 0.680 0.000 0.209 126 L C 2.499 179.276 176.870 -0.154 0.000 1.083 126 L CA 1.406 56.129 54.840 -0.194 0.000 0.752 126 L CB -0.522 41.345 42.059 -0.321 0.000 0.899 126 L HN 0.148 nan 8.230 nan 0.000 0.433 127 F N 0.221 120.183 119.950 0.021 0.000 2.051 127 F HA -0.179 4.759 4.527 0.686 0.000 0.296 127 F C 2.754 178.590 175.800 0.059 0.000 1.122 127 F CA 1.061 59.089 58.000 0.046 0.000 1.201 127 F CB -0.314 38.715 39.000 0.049 0.000 0.978 127 F HN -0.119 nan 8.300 nan 0.000 0.472 128 R N 0.303 120.943 120.500 0.235 0.000 2.200 128 R HA -0.128 4.620 4.340 0.680 0.000 0.234 128 R C 2.202 178.565 176.300 0.105 0.000 1.127 128 R CA 0.834 57.020 56.100 0.144 0.000 0.989 128 R CB -0.605 29.757 30.300 0.104 0.000 0.869 128 R HN 0.312 nan 8.270 nan 0.000 0.459 129 A N 1.416 124.276 122.820 0.067 0.000 1.854 129 A HA -0.012 4.715 4.320 0.680 0.000 0.214 129 A C 2.426 180.045 177.584 0.058 0.000 1.192 129 A CA 1.240 53.292 52.037 0.024 0.000 0.611 129 A CB -0.720 18.245 19.000 -0.058 0.000 0.832 129 A HN 0.328 nan 8.150 nan 0.000 0.442 130 A N -0.261 122.605 122.820 0.077 0.000 1.915 130 A HA -0.169 4.559 4.320 0.680 0.000 0.220 130 A C 2.224 180.024 177.584 0.360 0.000 1.198 130 A CA 2.274 54.486 52.037 0.291 0.000 0.647 130 A CB -1.299 17.955 19.000 0.423 0.000 0.825 130 A HN 0.525 nan 8.150 nan 0.000 0.456 131 V N -0.015 120.073 119.914 0.289 0.000 2.324 131 V HA -0.335 4.193 4.120 0.680 0.000 0.250 131 V C 2.690 178.972 176.094 0.313 0.000 1.060 131 V CA 2.479 64.955 62.300 0.292 0.000 1.042 131 V CB -0.859 31.029 31.823 0.110 0.000 0.650 131 V HN 0.565 nan 8.190 nan 0.000 0.450 132 R N -0.520 120.111 120.500 0.217 0.000 2.073 132 R HA 0.019 4.767 4.340 0.680 0.000 0.229 132 R C 2.299 178.740 176.300 0.234 0.000 1.120 132 R CA 1.132 57.350 56.100 0.196 0.000 0.967 132 R CB -0.365 30.013 30.300 0.130 0.000 0.862 132 R HN 0.407 nan 8.270 nan 0.000 0.436 133 L N 0.270 121.647 121.223 0.257 0.000 2.046 133 L HA -0.147 4.601 4.340 0.680 0.000 0.208 133 L C 2.527 179.603 176.870 0.345 0.000 1.077 133 L CA 1.482 56.525 54.840 0.338 0.000 0.747 133 L CB -0.426 41.875 42.059 0.404 0.000 0.896 133 L HN 0.245 nan 8.230 nan 0.000 0.432 134 M N -1.224 118.551 119.600 0.293 0.000 2.156 134 M HA -0.109 4.779 4.480 0.680 0.000 0.264 134 M C 1.196 177.397 176.300 -0.165 0.000 1.067 134 M CA 1.742 57.063 55.300 0.035 0.000 1.131 134 M CB -0.003 32.555 32.600 -0.069 0.000 1.368 134 M HN 0.051 nan 8.290 nan 0.000 0.416 135 F N -0.227 119.767 119.950 0.072 0.000 2.668 135 F HA 0.131 5.065 4.527 0.679 0.000 0.297 135 F C 1.966 177.848 175.800 0.137 0.000 1.124 135 F CA -0.265 57.773 58.000 0.062 0.000 1.353 135 F CB -0.505 38.443 39.000 -0.086 0.000 0.992 135 F HN 0.120 nan 8.300 nan 0.000 0.524 136 S N -0.938 114.884 115.700 0.205 0.000 2.294 136 S HA 0.009 4.887 4.470 0.680 0.000 0.182 136 S C 0.529 175.175 174.600 0.078 0.000 1.053 136 S CA 0.400 58.693 58.200 0.156 0.000 1.161 136 S CB -0.284 63.003 63.200 0.146 0.000 0.890 136 S HN 0.084 nan 8.310 nan 0.000 0.448 137 D N 2.237 122.665 120.400 0.047 0.000 2.499 137 D HA 0.464 5.512 4.640 0.680 0.000 0.225 137 D C -1.036 175.255 176.300 -0.015 0.000 1.124 137 D CA 0.032 54.035 54.000 0.006 0.000 0.938 137 D CB 0.474 41.277 40.800 0.005 0.000 1.014 137 D HN 0.324 nan 8.370 nan 0.000 0.517 138 L N 1.778 122.984 121.223 -0.028 0.000 2.295 138 L HA 0.281 5.029 4.340 0.680 0.000 0.285 138 L C 0.750 177.596 176.870 -0.040 0.000 1.035 138 L CA -0.738 54.079 54.840 -0.038 0.000 0.806 138 L CB 1.540 43.575 42.059 -0.040 0.000 1.214 138 L HN -0.043 nan 8.230 nan 0.000 0.426 139 E N 3.542 123.723 120.200 -0.031 0.000 2.156 139 E HA 0.339 5.097 4.350 0.680 0.000 0.279 139 E C -2.389 174.205 176.600 -0.010 0.000 0.965 139 E CA -2.033 54.353 56.400 -0.024 0.000 0.789 139 E CB 1.223 30.910 29.700 -0.023 0.000 1.098 139 E HN 0.257 nan 8.360 nan 0.000 0.397 140 P HA -0.016 nan 4.420 nan 0.000 0.267 140 P C -0.291 177.025 177.300 0.027 0.000 1.205 140 P CA -0.034 63.079 63.100 0.022 0.000 0.765 140 P CB 0.629 32.344 31.700 0.024 0.000 0.828 141 V N 1.733 121.672 119.914 0.042 0.000 3.164 141 V HA 0.816 5.344 4.120 0.680 0.000 0.313 141 V C -2.827 173.295 176.094 0.048 0.000 1.188 141 V CA -3.196 59.125 62.300 0.034 0.000 1.058 141 V CB 1.711 33.550 31.823 0.028 0.000 1.110 141 V HN 0.186 nan 8.190 nan 0.000 0.453 142 P HA 0.301 nan 4.420 nan 0.000 0.275 142 P C -0.432 176.903 177.300 0.059 0.000 1.227 142 P CA -0.184 62.939 63.100 0.038 0.000 0.781 142 P CB 0.444 32.152 31.700 0.013 0.000 0.906 143 L N 3.944 125.206 121.223 0.066 0.000 2.462 143 L HA 0.087 4.834 4.340 0.680 0.000 0.283 143 L C 0.325 177.254 176.870 0.099 0.000 1.166 143 L CA -0.318 54.572 54.840 0.085 0.000 0.964 143 L CB -0.220 41.879 42.059 0.067 0.000 1.294 143 L HN 0.195 nan 8.230 nan 0.000 0.449 144 K N 5.694 126.161 120.400 0.111 0.000 2.350 144 K HA 0.402 5.130 4.320 0.680 0.000 0.279 144 K C -0.292 176.391 176.600 0.139 0.000 1.027 144 K CA -0.085 56.275 56.287 0.122 0.000 0.969 144 K CB 1.658 34.258 32.500 0.167 0.000 0.954 144 K HN 0.559 nan 8.250 nan 0.000 0.474 145 I N 1.732 122.380 120.570 0.130 0.000 2.740 145 I HA 0.318 4.895 4.170 0.680 0.000 0.303 145 I C 0.035 176.186 176.117 0.058 0.000 1.044 145 I CA -1.327 60.046 61.300 0.121 0.000 1.064 145 I CB 2.126 40.209 38.000 0.138 0.000 1.249 145 I HN 0.329 nan 8.210 nan 0.000 0.433 146 R N 4.302 124.810 120.500 0.013 0.000 2.265 146 R HA 0.324 5.071 4.340 0.680 0.000 0.319 146 R C -0.842 175.428 176.300 -0.050 0.000 1.006 146 R CA -0.429 55.657 56.100 -0.022 0.000 0.880 146 R CB 0.758 31.043 30.300 -0.025 0.000 1.077 146 R HN 0.410 nan 8.270 nan 0.000 0.454 147 K N 2.780 123.153 120.400 -0.045 0.000 2.436 147 K HA 0.249 4.977 4.320 0.680 0.000 0.275 147 K C 0.185 176.736 176.600 -0.081 0.000 0.999 147 K CA 0.861 57.113 56.287 -0.058 0.000 0.980 147 K CB 0.505 32.981 32.500 -0.040 0.000 0.919 147 K HN 0.912 nan 8.250 nan 0.000 0.484 148 G N 1.835 110.580 108.800 -0.091 0.000 2.367 148 G HA2 -0.245 4.122 3.960 0.680 0.000 0.295 148 G HA3 -0.245 4.122 3.960 0.680 0.000 0.295 148 G C -0.372 174.464 174.900 -0.106 0.000 1.019 148 G CA 0.514 45.556 45.100 -0.097 0.000 1.224 148 G HN 0.636 nan 8.290 nan 0.000 0.510 149 S N -1.461 114.167 115.700 -0.119 0.000 2.536 149 S HA 0.778 5.656 4.470 0.680 0.000 0.271 149 S C -0.413 174.091 174.600 -0.159 0.000 1.134 149 S CA -0.002 58.125 58.200 -0.123 0.000 0.897 149 S CB 2.223 65.349 63.200 -0.124 0.000 1.094 149 S HN 1.142 nan 8.310 nan 0.000 0.473 150 S N 1.329 116.950 115.700 -0.132 0.000 2.489 150 S HA 0.368 5.246 4.470 0.680 0.000 0.277 150 S C 1.577 176.029 174.600 -0.247 0.000 1.230 150 S CA 0.114 58.224 58.200 -0.149 0.000 1.053 150 S CB 0.769 63.925 63.200 -0.074 0.000 0.955 150 S HN 1.022 nan 8.310 nan 0.000 0.488 151 T N 2.681 117.065 114.554 -0.283 0.000 2.977 151 T HA -0.050 4.708 4.350 0.680 0.000 0.271 151 T C 1.205 175.711 174.700 -0.324 0.000 1.105 151 T CA 1.044 62.974 62.100 -0.283 0.000 1.116 151 T CB -1.146 67.634 68.868 -0.146 0.000 0.878 151 T HN 0.815 nan 8.240 nan 0.000 0.509 152 C N -0.039 118.886 119.300 -0.625 0.000 0.168 152 C HA -0.227 4.641 4.460 0.680 0.000 0.017 152 C C 1.025 175.246 174.990 -1.282 0.000 0.171 152 C CA -0.752 57.485 59.018 -1.302 0.000 0.499 152 C CB -1.716 25.654 27.740 -0.617 0.000 3.212 152 C HN 0.731 nan 8.230 nan 0.000 1.118 153 I N 2.889 122.920 120.570 -0.897 0.000 2.742 153 I HA 0.074 4.652 4.170 0.680 0.000 0.287 153 I C -1.438 174.472 176.117 -0.345 0.000 1.186 153 I CA 0.057 61.058 61.300 -0.500 0.000 1.417 153 I CB 0.207 38.035 38.000 -0.287 0.000 1.377 153 I HN 0.530 nan 8.210 nan 0.000 0.556 154 P HA 0.129 nan 4.420 nan 0.000 0.282 154 P C 0.344 177.510 177.300 -0.223 0.000 1.327 154 P CA 0.318 63.195 63.100 -0.371 0.000 0.949 154 P CB 0.299 31.705 31.700 -0.489 0.000 1.445 155 Y N -1.173 119.129 120.300 0.004 0.000 2.441 155 Y HA 0.306 5.264 4.550 0.679 0.000 0.288 155 Y C 0.791 176.818 175.900 0.212 0.000 1.118 155 Y CA -0.295 57.854 58.100 0.083 0.000 1.215 155 Y CB -0.736 37.717 38.460 -0.013 0.000 1.118 155 Y HN -0.298 nan 8.280 nan 0.000 0.547 156 F N 0.197 120.184 119.950 0.061 0.000 3.074 156 F HA -0.260 4.675 4.527 0.680 0.000 0.287 156 F C 0.794 176.584 175.800 -0.018 0.000 0.932 156 F CA 0.504 58.488 58.000 -0.027 0.000 0.995 156 F CB -1.684 37.273 39.000 -0.071 0.000 0.966 156 F HN -0.028 nan 8.300 nan 0.000 0.721 157 S N -0.394 115.349 115.700 0.071 0.000 2.645 157 S HA 0.536 5.414 4.470 0.680 0.000 0.266 157 S C 0.979 175.548 174.600 -0.052 0.000 1.258 157 S CA 0.194 58.397 58.200 0.006 0.000 0.990 157 S CB 1.165 64.341 63.200 -0.040 0.000 0.967 157 S HN 0.420 nan 8.310 nan 0.000 0.556 158 N N -0.102 118.560 118.700 -0.062 0.000 2.067 158 N HA 0.178 5.326 4.740 0.680 0.000 0.227 158 N C -1.495 173.960 175.510 -0.092 0.000 1.348 158 N CA -0.217 52.783 53.050 -0.083 0.000 0.879 158 N CB 0.466 38.917 38.487 -0.060 0.000 1.109 158 N HN 0.551 nan 8.380 nan 0.000 0.501 159 D N 0.953 121.302 120.400 -0.085 0.000 2.358 159 D HA -0.008 5.039 4.640 0.680 0.000 0.258 159 D C 1.164 177.402 176.300 -0.102 0.000 1.223 159 D CA -0.063 53.886 54.000 -0.085 0.000 0.886 159 D CB 0.839 41.593 40.800 -0.076 0.000 1.120 159 D HN -0.011 nan 8.370 nan 0.000 0.482 160 M N 4.073 123.608 119.600 -0.108 0.000 2.202 160 M HA -0.005 4.882 4.480 0.680 0.000 0.262 160 M C 1.727 177.959 176.300 -0.113 0.000 1.063 160 M CA 1.964 57.189 55.300 -0.125 0.000 1.097 160 M CB -0.599 31.902 32.600 -0.164 0.000 1.382 160 M HN 0.470 nan 8.290 nan 0.000 0.413 161 G N -1.015 107.723 108.800 -0.103 0.000 2.545 161 G HA2 -0.258 4.110 3.960 0.680 0.000 0.217 161 G HA3 -0.258 4.110 3.960 0.680 0.000 0.217 161 G C 1.363 176.224 174.900 -0.065 0.000 1.218 161 G CA 1.624 46.676 45.100 -0.081 0.000 0.787 161 G HN 0.520 nan 8.290 nan 0.000 0.571 162 T N 0.906 115.413 114.554 -0.077 0.000 2.833 162 T HA -0.042 4.716 4.350 0.680 0.000 0.269 162 T C 2.208 176.870 174.700 -0.063 0.000 1.054 162 T CA 1.387 63.435 62.100 -0.086 0.000 1.135 162 T CB -0.103 68.696 68.868 -0.115 0.000 0.869 162 T HN 0.300 nan 8.240 nan 0.000 0.466 163 K N 0.657 121.016 120.400 -0.070 0.000 2.002 163 K HA -0.028 4.699 4.320 0.680 0.000 0.209 163 K C 2.256 178.910 176.600 0.091 0.000 1.048 163 K CA 1.009 57.264 56.287 -0.052 0.000 0.930 163 K CB -0.348 32.049 32.500 -0.172 0.000 0.714 163 K HN 0.246 nan 8.250 nan 0.000 0.438 164 I N 2.093 122.702 120.570 0.065 0.000 2.091 164 I HA -0.267 4.311 4.170 0.680 0.000 0.239 164 I C 2.131 178.293 176.117 0.074 0.000 1.061 164 I CA 1.630 62.989 61.300 0.099 0.000 1.317 164 I CB -1.393 36.656 38.000 0.082 0.000 1.031 164 I HN 0.253 nan 8.210 nan 0.000 0.401 165 E N 0.526 120.745 120.200 0.031 0.000 2.147 165 E HA -0.235 4.523 4.350 0.680 0.000 0.199 165 E C 2.357 178.972 176.600 0.025 0.000 1.005 165 E CA 1.286 57.693 56.400 0.012 0.000 0.810 165 E CB -0.162 29.525 29.700 -0.023 0.000 0.736 165 E HN 0.493 nan 8.360 nan 0.000 0.460 166 I N 0.482 121.087 120.570 0.058 0.000 2.233 166 I HA -0.225 4.352 4.170 0.680 0.000 0.243 166 I C 2.478 178.650 176.117 0.092 0.000 1.093 166 I CA 0.770 62.128 61.300 0.098 0.000 1.380 166 I CB -0.203 37.915 38.000 0.197 0.000 1.067 166 I HN 0.099 nan 8.210 nan 0.000 0.413 167 A N 0.479 123.385 122.820 0.143 0.000 1.877 167 A HA -0.229 4.499 4.320 0.680 0.000 0.216 167 A C 2.174 179.728 177.584 -0.049 0.000 1.186 167 A CA 1.664 53.702 52.037 0.001 0.000 0.620 167 A CB -0.637 18.423 19.000 0.101 0.000 0.822 167 A HN 0.418 nan 8.150 nan 0.000 0.443 168 E N -0.892 119.308 120.200 -0.000 0.000 2.058 168 E HA -0.262 4.496 4.350 0.680 0.000 0.194 168 E C 2.292 178.874 176.600 -0.030 0.000 0.997 168 E CA 1.439 57.829 56.400 -0.017 0.000 0.801 168 E CB -0.180 29.527 29.700 0.011 0.000 0.746 168 E HN 0.504 nan 8.360 nan 0.000 0.450 169 R N 1.294 121.787 120.500 -0.012 0.000 2.080 169 R HA -0.143 4.604 4.340 0.680 0.000 0.236 169 R C 2.082 178.366 176.300 -0.027 0.000 1.137 169 R CA 1.896 57.993 56.100 -0.004 0.000 0.943 169 R CB -0.763 29.549 30.300 0.020 0.000 0.846 169 R HN 0.145 nan 8.270 nan 0.000 0.431 170 A N 0.339 123.127 122.820 -0.053 0.000 2.019 170 A HA -0.054 4.673 4.320 0.680 0.000 0.219 170 A C 2.222 179.715 177.584 -0.152 0.000 1.164 170 A CA 1.326 53.307 52.037 -0.093 0.000 0.644 170 A CB -0.517 18.404 19.000 -0.131 0.000 0.805 170 A HN 0.386 nan 8.150 nan 0.000 0.449 171 L N -1.230 119.870 121.223 -0.206 0.000 2.217 171 L HA -0.129 4.618 4.340 0.680 0.000 0.211 171 L C 2.438 179.269 176.870 -0.066 0.000 1.107 171 L CA 1.272 55.914 54.840 -0.329 0.000 0.783 171 L CB -0.441 41.363 42.059 -0.424 0.000 0.919 171 L HN 0.492 nan 8.230 nan 0.000 0.442 172 E N -0.146 120.029 120.200 -0.041 0.000 2.033 172 E HA -0.105 4.652 4.350 0.680 0.000 0.189 172 E C 1.568 178.124 176.600 -0.073 0.000 0.979 172 E CA 0.612 57.004 56.400 -0.013 0.000 0.802 172 E CB 0.239 29.933 29.700 -0.010 0.000 0.763 172 E HN 0.103 nan 8.360 nan 0.000 0.449 173 K N 0.560 120.891 120.400 -0.115 0.000 2.505 173 K HA 0.185 4.913 4.320 0.680 0.000 0.192 173 K C 1.415 177.800 176.600 -0.359 0.000 1.025 173 K CA 0.252 56.370 56.287 -0.281 0.000 1.086 173 K CB 0.394 32.705 32.500 -0.314 0.000 0.840 173 K HN 0.070 nan 8.250 nan 0.000 0.514 174 A N 1.502 124.232 122.820 -0.149 0.000 1.865 174 A HA -0.243 4.485 4.320 0.680 0.000 0.217 174 A C 2.242 179.766 177.584 -0.101 0.000 1.191 174 A CA 1.911 53.950 52.037 0.003 0.000 0.623 174 A CB -0.380 18.814 19.000 0.324 0.000 0.826 174 A HN 0.464 nan 8.150 nan 0.000 0.444 175 E N -0.236 119.666 120.200 -0.497 0.000 2.033 175 E HA -0.299 4.459 4.350 0.680 0.000 0.199 175 E C 2.036 178.295 176.600 -0.568 0.000 1.011 175 E CA 1.684 57.376 56.400 -1.179 0.000 0.815 175 E CB -0.308 28.499 29.700 -1.487 0.000 0.755 175 E HN 0.708 nan 8.360 nan 0.000 0.451 176 E N -0.376 119.572 120.200 -0.419 0.000 2.171 176 E HA -0.267 4.491 4.350 0.680 0.000 0.197 176 E C 1.792 178.279 176.600 -0.189 0.000 0.997 176 E CA 1.196 57.436 56.400 -0.268 0.000 0.810 176 E CB -0.180 29.387 29.700 -0.221 0.000 0.738 176 E HN 0.396 nan 8.360 nan 0.000 0.467 177 A N 0.446 123.121 122.820 -0.242 0.000 1.898 177 A HA 0.044 4.772 4.320 0.680 0.000 0.214 177 A C 2.392 179.979 177.584 0.005 0.000 1.183 177 A CA 1.250 53.227 52.037 -0.100 0.000 0.622 177 A CB -0.941 17.979 19.000 -0.133 0.000 0.824 177 A HN 0.432 nan 8.150 nan 0.000 0.444 178 G N 0.383 109.227 108.800 0.074 0.000 2.459 178 G HA2 -0.290 4.078 3.960 0.680 0.000 0.217 178 G HA3 -0.290 4.078 3.960 0.680 0.000 0.217 178 G C 1.390 176.365 174.900 0.125 0.000 1.183 178 G CA 1.055 46.268 45.100 0.189 0.000 0.776 178 G HN 0.508 nan 8.290 nan 0.000 0.552 179 N N 0.418 119.175 118.700 0.095 0.000 2.205 179 N HA -0.037 5.111 4.740 0.680 0.000 0.186 179 N C 2.226 177.731 175.510 -0.009 0.000 1.015 179 N CA 0.562 53.645 53.050 0.055 0.000 0.862 179 N CB -0.236 38.253 38.487 0.003 0.000 0.986 179 N HN 0.296 nan 8.380 nan 0.000 0.429 180 L N 0.320 121.524 121.223 -0.031 0.000 2.131 180 L HA -0.059 4.689 4.340 0.680 0.000 0.210 180 L C 2.213 178.979 176.870 -0.174 0.000 1.092 180 L CA 0.934 55.735 54.840 -0.064 0.000 0.759 180 L CB -0.131 41.916 42.059 -0.021 0.000 0.903 180 L HN 0.166 nan 8.230 nan 0.000 0.435 181 M N -1.281 118.187 119.600 -0.221 0.000 2.287 181 M HA -0.103 4.785 4.480 0.680 0.000 0.266 181 M C 2.124 178.189 176.300 -0.393 0.000 1.079 181 M CA 1.141 56.114 55.300 -0.544 0.000 1.146 181 M CB -0.151 32.220 32.600 -0.382 0.000 1.374 181 M HN 0.157 nan 8.290 nan 0.000 0.435 182 L N 0.195 121.339 121.223 -0.131 0.000 2.261 182 L HA -0.227 4.521 4.340 0.680 0.000 0.216 182 L C 2.239 179.069 176.870 -0.068 0.000 1.114 182 L CA 1.238 56.053 54.840 -0.041 0.000 0.777 182 L CB -0.646 41.436 42.059 0.038 0.000 0.910 182 L HN 0.417 nan 8.230 nan 0.000 0.440 183 Q N -0.559 119.172 119.800 -0.114 0.000 2.425 183 Q HA 0.075 4.823 4.340 0.680 0.000 0.204 183 Q C 1.491 177.423 176.000 -0.113 0.000 0.933 183 Q CA 0.576 56.329 55.803 -0.084 0.000 0.939 183 Q CB 0.548 29.248 28.738 -0.063 0.000 1.044 183 Q HN 0.610 nan 8.270 nan 0.000 0.513 184 G N 1.795 110.443 108.800 -0.253 0.000 2.157 184 G HA2 -0.263 4.104 3.960 0.680 0.000 0.248 184 G HA3 -0.263 4.104 3.960 0.680 0.000 0.248 184 G C 0.061 174.858 174.900 -0.171 0.000 0.979 184 G CA -0.092 44.887 45.100 -0.202 0.000 0.650 184 G HN 0.221 nan 8.290 nan 0.000 0.529 185 K N 0.515 120.770 120.400 -0.241 0.000 2.518 185 K HA 0.459 5.187 4.320 0.680 0.000 0.244 185 K C 0.775 177.310 176.600 -0.109 0.000 1.232 185 K CA -0.626 55.601 56.287 -0.101 0.000 1.189 185 K CB -0.181 32.283 32.500 -0.059 0.000 1.737 185 K HN 0.293 nan 8.250 nan 0.000 0.333 186 F N 0.822 120.796 119.950 0.041 0.000 2.206 186 F HA -0.153 4.782 4.527 0.679 0.000 0.298 186 F C 1.800 177.633 175.800 0.056 0.000 1.090 186 F CA 0.993 59.018 58.000 0.042 0.000 1.323 186 F CB 0.163 39.173 39.000 0.017 0.000 1.028 186 F HN 0.311 nan 8.300 nan 0.000 0.492 187 D N 0.379 120.911 120.400 0.220 0.000 2.097 187 D HA -0.169 4.879 4.640 0.680 0.000 0.195 187 D C 1.794 178.188 176.300 0.157 0.000 0.989 187 D CA 1.449 55.542 54.000 0.155 0.000 0.827 187 D CB -0.537 40.321 40.800 0.097 0.000 0.966 187 D HN 0.147 nan 8.370 nan 0.000 0.456 188 D N 0.258 120.719 120.400 0.102 0.000 2.116 188 D HA -0.141 4.907 4.640 0.680 0.000 0.193 188 D C 1.974 178.326 176.300 0.087 0.000 0.998 188 D CA 1.614 55.654 54.000 0.067 0.000 0.836 188 D CB -0.442 40.379 40.800 0.035 0.000 0.951 188 D HN 0.171 nan 8.370 nan 0.000 0.449 189 A N -0.237 122.656 122.820 0.121 0.000 1.933 189 A HA -0.214 4.514 4.320 0.680 0.000 0.218 189 A C 2.194 179.894 177.584 0.193 0.000 1.175 189 A CA 1.396 53.540 52.037 0.178 0.000 0.628 189 A CB -1.014 18.073 19.000 0.145 0.000 0.814 189 A HN 0.406 nan 8.150 nan 0.000 0.444 190 Y N 0.423 120.758 120.300 0.057 0.000 2.242 190 Y HA -0.158 4.800 4.550 0.679 0.000 0.291 190 Y C 2.352 178.231 175.900 -0.035 0.000 1.137 190 Y CA 2.130 60.237 58.100 0.011 0.000 1.181 190 Y CB -0.273 38.184 38.460 -0.006 0.000 0.989 190 Y HN 0.429 nan 8.280 nan 0.000 0.527 191 Q N -0.393 119.378 119.800 -0.049 0.000 2.172 191 Q HA -0.061 4.687 4.340 0.680 0.000 0.200 191 Q C 2.008 177.857 176.000 -0.252 0.000 0.964 191 Q CA 1.173 56.872 55.803 -0.173 0.000 0.855 191 Q CB 0.070 28.794 28.738 -0.023 0.000 0.918 191 Q HN 0.475 nan 8.270 nan 0.000 0.444 192 L N -0.397 120.654 121.223 -0.287 0.000 2.446 192 L HA -0.004 4.744 4.340 0.680 0.000 0.219 192 L C 0.742 177.024 176.870 -0.979 0.000 1.116 192 L CA 0.872 55.332 54.840 -0.633 0.000 0.844 192 L CB 0.100 41.712 42.059 -0.745 0.000 0.970 192 L HN 0.430 nan 8.230 nan 0.000 0.457 193 H N -1.663 117.346 119.070 -0.101 0.000 3.427 193 H HA 0.120 5.083 4.556 0.680 0.000 0.262 193 H C -0.080 175.177 175.328 -0.118 0.000 1.148 193 H CA -0.158 55.842 56.048 -0.080 0.000 1.048 193 H CB 0.558 30.294 29.762 -0.045 0.000 2.325 193 H HN 0.007 nan 8.280 nan 0.000 0.768 194 Q N -0.011 119.663 119.800 -0.210 0.000 2.468 194 Q HA -0.190 4.557 4.340 0.680 0.000 0.256 194 Q C -0.146 175.823 176.000 -0.052 0.000 0.984 194 Q CA 0.927 56.523 55.803 -0.345 0.000 1.110 194 Q CB -2.091 26.506 28.738 -0.233 0.000 1.527 194 Q HN 0.559 nan 8.270 nan 0.000 0.535 195 M N -0.200 119.440 119.600 0.067 0.000 2.111 195 M HA 0.516 5.404 4.480 0.680 0.000 0.351 195 M C 0.889 177.315 176.300 0.210 0.000 1.214 195 M CA 0.643 56.009 55.300 0.110 0.000 1.120 195 M CB 1.084 33.735 32.600 0.084 0.000 1.443 195 M HN 0.396 nan 8.290 nan 0.000 0.429 196 G N 1.095 109.997 108.800 0.169 0.000 2.288 196 G HA2 0.370 4.737 3.960 0.680 0.000 0.227 196 G HA3 0.370 4.737 3.960 0.680 0.000 0.227 196 G C -0.052 174.801 174.900 -0.079 0.000 1.339 196 G CA -0.164 44.990 45.100 0.089 0.000 1.057 196 G HN 1.087 nan 8.290 nan 0.000 0.470 197 G N -0.364 108.212 108.800 -0.372 0.000 3.031 197 G HA2 0.415 4.783 3.960 0.680 0.000 0.289 197 G HA3 0.415 4.783 3.960 0.680 0.000 0.289 197 G C 0.818 175.539 174.900 -0.298 0.000 1.393 197 G CA 2.385 47.140 45.100 -0.576 0.000 1.010 197 G HN 2.988 nan 8.290 nan 0.000 0.579 198 A N -2.201 120.478 122.820 -0.236 0.000 2.567 198 A HA 0.673 5.401 4.320 0.680 0.000 0.291 198 A C -1.171 176.316 177.584 -0.161 0.000 1.048 198 A CA -0.194 51.764 52.037 -0.133 0.000 0.661 198 A CB 0.233 19.234 19.000 0.002 0.000 1.288 198 A HN 1.492 nan 8.150 nan 0.000 0.424 199 Y N -0.320 119.997 120.300 0.027 0.000 2.301 199 Y HA 0.480 5.438 4.550 0.680 0.000 0.325 199 Y C -0.110 175.877 175.900 0.145 0.000 1.203 199 Y CA 0.705 58.835 58.100 0.051 0.000 1.255 199 Y CB 1.012 39.475 38.460 0.006 0.000 1.232 199 Y HN 0.645 nan 8.280 nan 0.000 0.501 200 Y N 1.885 122.301 120.300 0.194 0.000 2.331 200 Y HA 0.524 5.482 4.550 0.679 0.000 0.338 200 Y C -0.909 175.066 175.900 0.124 0.000 0.976 200 Y CA -1.108 57.120 58.100 0.214 0.000 1.137 200 Y CB 0.843 39.453 38.460 0.250 0.000 1.172 200 Y HN 0.325 nan 8.280 nan 0.000 0.478 201 V N 8.560 128.258 119.914 -0.360 0.000 2.356 201 V HA 0.228 4.756 4.120 0.680 0.000 0.258 201 V C -0.125 175.617 176.094 -0.586 0.000 1.065 201 V CA -0.432 61.605 62.300 -0.439 0.000 0.935 201 V CB 0.275 31.796 31.823 -0.503 0.000 1.061 201 V HN 0.640 nan 8.190 nan 0.000 0.484 202 V N 4.049 123.753 119.914 -0.351 0.000 2.716 202 V HA 0.598 5.125 4.120 0.680 0.000 0.304 202 V C -0.939 174.930 176.094 -0.375 0.000 1.053 202 V CA -0.592 61.570 62.300 -0.231 0.000 0.984 202 V CB 1.565 33.413 31.823 0.042 0.000 1.021 202 V HN 0.617 nan 8.190 nan 0.000 0.467 203 Y N 4.251 124.541 120.300 -0.018 0.000 2.721 203 Y HA 0.557 5.514 4.550 0.679 0.000 0.328 203 Y C 0.970 176.848 175.900 -0.036 0.000 1.003 203 Y CA -0.645 57.434 58.100 -0.035 0.000 1.275 203 Y CB 0.600 39.038 38.460 -0.036 0.000 1.097 203 Y HN 0.607 nan 8.280 nan 0.000 0.514 204 R N 1.462 122.005 120.500 0.071 0.000 2.679 204 R HA 0.655 5.402 4.340 0.680 0.000 0.269 204 R C -0.068 176.214 176.300 -0.030 0.000 1.076 204 R CA -0.349 55.752 56.100 0.001 0.000 1.160 204 R CB 0.677 30.969 30.300 -0.013 0.000 1.054 204 R HN 0.588 nan 8.270 nan 0.000 0.507 205 A N 1.301 124.053 122.820 -0.113 0.000 2.311 205 A HA 0.249 4.977 4.320 0.680 0.000 0.334 205 A C -0.583 176.924 177.584 -0.130 0.000 1.139 205 A CA -0.581 51.389 52.037 -0.111 0.000 0.830 205 A CB 1.462 20.387 19.000 -0.126 0.000 1.234 205 A HN 0.599 nan 8.150 nan 0.000 0.483 206 Q N 1.218 120.948 119.800 -0.118 0.000 2.506 206 Q HA 0.205 4.953 4.340 0.680 0.000 0.242 206 Q C 0.812 176.725 176.000 -0.145 0.000 1.060 206 Q CA 0.112 55.843 55.803 -0.120 0.000 0.826 206 Q CB 1.198 29.874 28.738 -0.103 0.000 1.169 206 Q HN 1.012 nan 8.270 nan 0.000 0.521 207 S N 0.991 116.630 115.700 -0.102 0.000 2.423 207 S HA -0.119 4.759 4.470 0.680 0.000 0.238 207 S C 0.833 175.429 174.600 -0.007 0.000 1.028 207 S CA 1.344 59.515 58.200 -0.048 0.000 1.000 207 S CB -0.312 62.897 63.200 0.015 0.000 0.797 207 S HN 0.598 nan 8.310 nan 0.000 0.487 208 T N -1.117 113.431 114.554 -0.010 0.000 3.170 208 T HA 0.670 5.428 4.350 0.680 0.000 0.315 208 T C -1.583 173.164 174.700 0.079 0.000 0.967 208 T CA -0.859 61.326 62.100 0.141 0.000 1.024 208 T CB 1.831 70.786 68.868 0.146 0.000 1.018 208 T HN 0.052 nan 8.240 nan 0.000 0.449 209 D N 1.585 122.098 120.400 0.190 0.000 2.523 209 D HA 0.674 5.722 4.640 0.680 0.000 0.236 209 D C 0.027 176.407 176.300 0.133 0.000 1.094 209 D CA -0.472 53.584 54.000 0.094 0.000 0.942 209 D CB 2.082 42.875 40.800 -0.012 0.000 1.447 209 D HN 0.900 nan 8.370 nan 0.000 0.479 210 A N 1.517 124.361 122.820 0.039 0.000 2.591 210 A HA 0.289 5.016 4.320 0.680 0.000 0.244 210 A C -0.093 177.467 177.584 -0.041 0.000 1.031 210 A CA 0.782 52.825 52.037 0.011 0.000 0.767 210 A CB -0.455 18.539 19.000 -0.009 0.000 0.942 210 A HN 0.467 nan 8.150 nan 0.000 0.514 211 I N 2.105 122.659 120.570 -0.026 0.000 2.619 211 I HA 0.492 5.069 4.170 0.680 0.000 0.292 211 I C 0.170 176.329 176.117 0.070 0.000 1.100 211 I CA -0.415 60.820 61.300 -0.108 0.000 1.043 211 I CB 2.839 40.686 38.000 -0.255 0.000 1.239 211 I HN 0.822 nan 8.210 nan 0.000 0.420 212 T N 2.599 117.192 114.554 0.065 0.000 2.865 212 T HA 0.670 5.427 4.350 0.680 0.000 0.294 212 T C -1.123 173.665 174.700 0.148 0.000 1.119 212 T CA -0.801 61.398 62.100 0.166 0.000 1.007 212 T CB 2.273 71.213 68.868 0.120 0.000 1.225 212 T HN 0.269 nan 8.240 nan 0.000 0.515 213 L N 1.855 123.142 121.223 0.106 0.000 2.305 213 L HA 0.549 5.297 4.340 0.680 0.000 0.284 213 L C -0.792 176.052 176.870 -0.044 0.000 1.013 213 L CA -0.374 54.423 54.840 -0.072 0.000 0.819 213 L CB 1.063 43.044 42.059 -0.131 0.000 1.227 213 L HN 0.793 nan 8.230 nan 0.000 0.417 214 D N 7.143 127.491 120.400 -0.087 0.000 2.352 214 D HA 0.238 5.286 4.640 0.680 0.000 0.245 214 D C -1.571 174.687 176.300 -0.070 0.000 1.224 214 D CA -1.898 52.071 54.000 -0.052 0.000 0.879 214 D CB 1.449 42.224 40.800 -0.042 0.000 1.057 214 D HN 0.381 nan 8.370 nan 0.000 0.491 215 P HA -0.196 nan 4.420 nan 0.000 0.219 215 P C 0.924 178.200 177.300 -0.040 0.000 1.146 215 P CA 0.896 63.975 63.100 -0.035 0.000 0.808 215 P CB 0.515 32.210 31.700 -0.009 0.000 0.779 216 K N -0.024 120.356 120.400 -0.034 0.000 1.984 216 K HA -0.066 4.662 4.320 0.680 0.000 0.209 216 K C 2.311 178.887 176.600 -0.041 0.000 1.046 216 K CA 2.261 58.531 56.287 -0.029 0.000 0.934 216 K CB -1.837 30.652 32.500 -0.019 0.000 0.717 216 K HN 0.337 nan 8.250 nan 0.000 0.438 217 T N -3.030 111.493 114.554 -0.052 0.000 3.009 217 T HA 0.150 4.908 4.350 0.680 0.000 0.258 217 T C 1.520 176.166 174.700 -0.089 0.000 1.063 217 T CA 1.304 63.369 62.100 -0.058 0.000 1.139 217 T CB 0.088 68.928 68.868 -0.048 0.000 0.890 217 T HN 0.375 nan 8.240 nan 0.000 0.471 218 G N 1.302 110.024 108.800 -0.130 0.000 2.176 218 G HA2 -0.188 4.179 3.960 0.680 0.000 0.253 218 G HA3 -0.188 4.179 3.960 0.680 0.000 0.253 218 G C 0.121 174.836 174.900 -0.308 0.000 0.979 218 G CA 0.214 45.197 45.100 -0.195 0.000 0.641 218 G HN 0.650 nan 8.290 nan 0.000 0.530 219 K N -0.379 119.874 120.400 -0.244 0.000 2.109 219 K HA 0.718 5.446 4.320 0.680 0.000 0.243 219 K C -0.137 176.286 176.600 -0.296 0.000 1.006 219 K CA -0.674 55.468 56.287 -0.241 0.000 0.917 219 K CB 0.604 33.058 32.500 -0.076 0.000 1.081 219 K HN 0.033 nan 8.250 nan 0.000 0.468 220 F N -0.050 119.894 119.950 -0.010 0.000 2.399 220 F HA 0.318 5.252 4.527 0.679 0.000 0.328 220 F C 0.228 176.113 175.800 0.143 0.000 1.084 220 F CA -0.746 57.269 58.000 0.025 0.000 1.053 220 F CB 1.249 40.292 39.000 0.071 0.000 1.209 220 F HN -0.060 nan 8.300 nan 0.000 0.502 221 V N 1.640 121.705 119.914 0.252 0.000 2.525 221 V HA 0.341 4.868 4.120 0.680 0.000 0.299 221 V C -0.672 175.290 176.094 -0.222 0.000 1.034 221 V CA -1.059 61.272 62.300 0.052 0.000 0.863 221 V CB 1.595 33.436 31.823 0.030 0.000 0.999 221 V HN 0.788 nan 8.190 nan 0.000 0.423 222 S N 3.361 118.752 115.700 -0.515 0.000 2.537 222 S HA 0.481 5.358 4.470 0.680 0.000 0.275 222 S C -0.221 174.230 174.600 -0.248 0.000 1.272 222 S CA -0.722 57.100 58.200 -0.630 0.000 1.050 222 S CB 0.968 63.556 63.200 -1.019 0.000 0.961 222 S HN 0.738 nan 8.310 nan 0.000 0.496 223 K N 2.247 122.547 120.400 -0.165 0.000 2.430 223 K HA 0.003 4.731 4.320 0.680 0.000 0.280 223 K C -0.736 175.825 176.600 -0.066 0.000 1.063 223 K CA -0.027 56.211 56.287 -0.082 0.000 1.071 223 K CB -0.280 32.189 32.500 -0.053 0.000 0.899 223 K HN 0.575 nan 8.250 nan 0.000 0.473 224 D N 3.474 123.849 120.400 -0.041 0.000 2.472 224 D HA 0.019 5.067 4.640 0.680 0.000 0.237 224 D C -0.196 176.085 176.300 -0.031 0.000 1.141 224 D CA 0.618 54.605 54.000 -0.023 0.000 0.875 224 D CB 0.552 41.351 40.800 -0.002 0.000 1.192 224 D HN 0.331 nan 8.370 nan 0.000 0.450 225 R N 2.366 122.842 120.500 -0.040 0.000 2.435 225 R HA 0.270 5.018 4.340 0.680 0.000 0.308 225 R C -0.318 175.923 176.300 -0.099 0.000 0.975 225 R CA -0.794 55.270 56.100 -0.060 0.000 0.867 225 R CB 1.136 31.399 30.300 -0.062 0.000 1.171 225 R HN 0.380 nan 8.270 nan 0.000 0.470 226 M N 2.975 122.510 119.600 -0.108 0.000 2.238 226 M HA 0.200 5.088 4.480 0.680 0.000 0.347 226 M C 0.615 176.761 176.300 -0.256 0.000 1.173 226 M CA -0.198 54.999 55.300 -0.173 0.000 1.147 226 M CB 0.684 33.208 32.600 -0.127 0.000 1.547 226 M HN 0.389 nan 8.290 nan 0.000 0.455 227 V N -0.177 119.476 119.914 -0.434 0.000 3.141 227 V HA 1.044 5.572 4.120 0.680 0.000 0.312 227 V C -0.640 175.143 176.094 -0.520 0.000 1.157 227 V CA -1.231 60.801 62.300 -0.445 0.000 1.041 227 V CB 1.609 33.121 31.823 -0.518 0.000 1.071 227 V HN 0.939 nan 8.190 nan 0.000 0.441 228 A N 1.251 123.880 122.820 -0.318 0.000 2.337 228 A HA 0.865 5.593 4.320 0.680 0.000 0.331 228 A C -0.551 177.066 177.584 0.054 0.000 1.137 228 A CA -0.245 51.650 52.037 -0.236 0.000 0.807 228 A CB 1.089 19.963 19.000 -0.208 0.000 1.250 228 A HN 1.228 nan 8.150 nan 0.000 0.468 229 D N -0.152 120.349 120.400 0.168 0.000 2.466 229 D HA 0.247 5.294 4.640 0.680 0.000 0.262 229 D C 0.764 177.023 176.300 -0.069 0.000 1.177 229 D CA -0.615 53.488 54.000 0.172 0.000 1.035 229 D CB 0.089 41.030 40.800 0.235 0.000 1.105 229 D HN 0.354 nan 8.370 nan 0.000 0.551 230 F N 0.059 119.636 119.950 -0.622 0.000 2.102 230 F HA -0.158 4.777 4.527 0.680 0.000 0.298 230 F C 2.079 177.654 175.800 -0.374 0.000 1.105 230 F CA 1.462 58.901 58.000 -0.934 0.000 1.239 230 F CB 0.115 38.397 39.000 -1.197 0.000 0.991 230 F HN 0.218 nan 8.300 nan 0.000 0.474 231 E N -0.533 119.463 120.200 -0.339 0.000 2.204 231 E HA -0.267 4.491 4.350 0.680 0.000 0.195 231 E C 1.940 178.392 176.600 -0.246 0.000 0.990 231 E CA 1.261 57.449 56.400 -0.354 0.000 0.821 231 E CB -0.614 29.010 29.700 -0.127 0.000 0.750 231 E HN 0.665 nan 8.360 nan 0.000 0.477 232 Y N 0.662 120.840 120.300 -0.203 0.000 2.220 232 Y HA -0.167 4.791 4.550 0.679 0.000 0.291 232 Y C 2.279 178.091 175.900 -0.148 0.000 1.129 232 Y CA 1.426 59.452 58.100 -0.122 0.000 1.161 232 Y CB 0.027 38.469 38.460 -0.031 0.000 0.997 232 Y HN 0.030 nan 8.280 nan 0.000 0.522 233 A N -0.440 122.426 122.820 0.076 0.000 1.930 233 A HA -0.143 4.585 4.320 0.680 0.000 0.217 233 A C 2.095 179.625 177.584 -0.091 0.000 1.175 233 A CA 1.928 54.009 52.037 0.073 0.000 0.627 233 A CB -1.317 17.791 19.000 0.180 0.000 0.815 233 A HN 0.424 nan 8.150 nan 0.000 0.443 234 V N -2.063 117.654 119.914 -0.329 0.000 2.871 234 V HA -0.068 4.460 4.120 0.680 0.000 0.256 234 V C 2.144 178.099 176.094 -0.231 0.000 1.082 234 V CA 1.967 64.074 62.300 -0.322 0.000 1.105 234 V CB -1.557 29.926 31.823 -0.567 0.000 0.713 234 V HN 0.642 nan 8.190 nan 0.000 0.473 235 T N -3.155 111.252 114.554 -0.246 0.000 3.081 235 T HA 0.417 5.175 4.350 0.680 0.000 0.250 235 T C 1.708 176.294 174.700 -0.191 0.000 1.100 235 T CA 0.906 62.875 62.100 -0.217 0.000 1.038 235 T CB 0.358 69.073 68.868 -0.254 0.000 0.962 235 T HN 1.406 nan 8.240 nan 0.000 0.516 236 G N 0.438 109.139 108.800 -0.165 0.000 2.176 236 G HA2 0.086 4.453 3.960 0.680 0.000 0.253 236 G HA3 0.086 4.453 3.960 0.680 0.000 0.253 236 G C 1.017 175.805 174.900 -0.186 0.000 0.979 236 G CA 0.335 45.366 45.100 -0.116 0.000 0.641 236 G HN 1.762 nan 8.290 nan 0.000 0.530 237 G N -1.082 107.435 108.800 -0.473 0.000 2.296 237 G HA2 -0.173 4.195 3.960 0.680 0.000 0.188 237 G HA3 -0.173 4.195 3.960 0.680 0.000 0.188 237 G C 0.883 175.328 174.900 -0.759 0.000 1.000 237 G CA 1.003 45.507 45.100 -0.993 0.000 0.672 237 G HN 0.659 nan 8.290 nan 0.000 0.483 238 E N 0.513 120.460 120.200 -0.421 0.000 1.997 238 E HA -0.084 4.674 4.350 0.680 0.000 0.201 238 E C 1.541 177.989 176.600 -0.253 0.000 1.011 238 E CA 1.210 57.453 56.400 -0.262 0.000 0.847 238 E CB -0.136 29.457 29.700 -0.178 0.000 0.787 238 E HN 0.542 nan 8.360 nan 0.000 0.472 239 Q N -0.544 119.115 119.800 -0.236 0.000 2.225 239 Q HA 0.388 5.136 4.340 0.680 0.000 0.177 239 Q C 0.274 176.184 176.000 -0.151 0.000 1.073 239 Q CA 0.712 56.418 55.803 -0.162 0.000 1.134 239 Q CB 0.186 28.847 28.738 -0.128 0.000 1.210 239 Q HN 0.431 nan 8.270 nan 0.000 0.599 240 G N -0.284 108.488 108.800 -0.046 0.000 2.907 240 G HA2 -0.146 4.222 3.960 0.680 0.000 0.242 240 G HA3 -0.146 4.222 3.960 0.680 0.000 0.242 240 G C -0.737 174.299 174.900 0.226 0.000 1.448 240 G CA -0.088 45.053 45.100 0.068 0.000 0.911 240 G HN 0.938 nan 8.290 nan 0.000 0.553 241 S N -1.244 114.642 115.700 0.309 0.000 2.600 241 S HA 0.809 5.687 4.470 0.680 0.000 0.300 241 S C -0.500 174.309 174.600 0.348 0.000 1.087 241 S CA -0.858 57.547 58.200 0.342 0.000 0.965 241 S CB 2.493 65.806 63.200 0.189 0.000 1.089 241 S HN 1.121 nan 8.310 nan 0.000 0.496 242 L N 1.760 123.117 121.223 0.223 0.000 2.334 242 L HA 0.911 5.659 4.340 0.680 0.000 0.272 242 L C -1.219 175.830 176.870 0.299 0.000 1.020 242 L CA -0.406 54.431 54.840 -0.005 0.000 0.812 242 L CB 1.272 43.237 42.059 -0.157 0.000 1.264 242 L HN 0.890 nan 8.230 nan 0.000 0.439 243 F N 0.889 120.796 119.950 -0.072 0.000 2.829 243 F HA 0.691 5.626 4.527 0.680 0.000 0.319 243 F C -0.831 174.953 175.800 -0.027 0.000 1.153 243 F CA -1.294 56.687 58.000 -0.031 0.000 0.912 243 F CB 0.069 39.062 39.000 -0.013 0.000 1.292 243 F HN 0.571 nan 8.300 nan 0.000 0.447 244 A N 1.287 124.190 122.820 0.138 0.000 2.445 244 A HA 0.746 5.474 4.320 0.680 0.000 0.242 244 A C 0.160 177.798 177.584 0.089 0.000 1.075 244 A CA 0.140 52.204 52.037 0.046 0.000 0.777 244 A CB -0.140 18.902 19.000 0.072 0.000 1.013 244 A HN 1.820 nan 8.150 nan 0.000 0.493 245 A N 1.283 124.103 122.820 -0.001 0.000 2.282 245 A HA 0.595 5.323 4.320 0.680 0.000 0.319 245 A C 0.624 178.259 177.584 0.086 0.000 1.121 245 A CA -0.072 51.984 52.037 0.032 0.000 0.836 245 A CB 0.568 19.540 19.000 -0.047 0.000 1.146 245 A HN 1.228 nan 8.150 nan 0.000 0.494 246 S N 0.259 116.025 115.700 0.110 0.000 3.036 246 S HA 0.140 5.018 4.470 0.680 0.000 0.301 246 S C 0.882 175.562 174.600 0.133 0.000 1.205 246 S CA -0.332 57.939 58.200 0.119 0.000 0.999 246 S CB -0.590 62.677 63.200 0.113 0.000 1.337 246 S HN 0.614 nan 8.310 nan 0.000 0.515 247 K N 2.365 122.855 120.400 0.150 0.000 2.504 247 K HA -0.048 4.680 4.320 0.680 0.000 0.195 247 K C 0.348 177.123 176.600 0.292 0.000 1.036 247 K CA 0.237 56.649 56.287 0.208 0.000 0.984 247 K CB -0.025 32.585 32.500 0.184 0.000 0.788 247 K HN 0.668 nan 8.250 nan 0.000 0.488 248 D N -0.070 120.470 120.400 0.234 0.000 2.487 248 D HA -0.063 4.984 4.640 0.680 0.000 0.243 248 D C 0.402 176.782 176.300 0.133 0.000 1.154 248 D CA 0.042 54.155 54.000 0.189 0.000 0.876 248 D CB 0.952 41.827 40.800 0.126 0.000 1.161 248 D HN 0.140 nan 8.370 nan 0.000 0.478 249 A N 2.924 125.786 122.820 0.069 0.000 2.387 249 A HA 0.112 4.840 4.320 0.680 0.000 0.234 249 A C 1.929 179.503 177.584 -0.017 0.000 1.253 249 A CA -0.121 51.935 52.037 0.033 0.000 0.894 249 A CB 0.079 19.088 19.000 0.016 0.000 0.963 249 A HN 0.519 nan 8.150 nan 0.000 0.508 250 S N 1.093 116.789 115.700 -0.007 0.000 2.368 250 S HA -0.187 4.690 4.470 0.680 0.000 0.224 250 S C 2.017 176.616 174.600 -0.001 0.000 1.029 250 S CA 1.373 59.564 58.200 -0.015 0.000 0.988 250 S CB -0.377 62.819 63.200 -0.007 0.000 0.838 250 S HN 0.864 nan 8.310 nan 0.000 0.462 251 R N 1.611 122.126 120.500 0.025 0.000 2.371 251 R HA -0.054 4.693 4.340 0.680 0.000 0.226 251 R C 1.569 177.900 176.300 0.053 0.000 1.132 251 R CA 1.035 57.158 56.100 0.039 0.000 1.027 251 R CB -0.855 29.487 30.300 0.071 0.000 0.848 251 R HN 0.368 nan 8.270 nan 0.000 0.479 252 L N 0.412 121.652 121.223 0.030 0.000 2.209 252 L HA 0.020 4.768 4.340 0.680 0.000 0.207 252 L C 2.425 179.326 176.870 0.053 0.000 1.094 252 L CA 0.859 55.735 54.840 0.059 0.000 0.790 252 L CB -0.336 41.622 42.059 -0.168 0.000 0.932 252 L HN 0.112 nan 8.230 nan 0.000 0.447 253 K N 0.912 121.309 120.400 -0.005 0.000 2.148 253 K HA -0.204 4.524 4.320 0.680 0.000 0.204 253 K C 1.931 178.525 176.600 -0.010 0.000 1.050 253 K CA 1.491 57.771 56.287 -0.012 0.000 0.942 253 K CB 0.019 32.503 32.500 -0.027 0.000 0.724 253 K HN 0.280 nan 8.250 nan 0.000 0.446 254 E N -0.651 119.538 120.200 -0.018 0.000 2.166 254 E HA -0.064 4.693 4.350 0.680 0.000 0.192 254 E C 1.832 178.383 176.600 -0.082 0.000 0.967 254 E CA 0.295 56.672 56.400 -0.038 0.000 0.840 254 E CB 0.163 29.843 29.700 -0.033 0.000 0.795 254 E HN 0.386 nan 8.360 nan 0.000 0.470 255 Q N -0.899 118.826 119.800 -0.124 0.000 2.096 255 Q HA -0.085 4.662 4.340 0.680 0.000 0.197 255 Q C 0.574 176.237 176.000 -0.562 0.000 0.964 255 Q CA 1.141 56.721 55.803 -0.372 0.000 0.838 255 Q CB 0.327 28.768 28.738 -0.494 0.000 0.906 255 Q HN 0.375 nan 8.270 nan 0.000 0.444 256 Y N -1.795 118.510 120.300 0.009 0.000 2.626 256 Y HA 0.325 5.283 4.550 0.680 0.000 0.248 256 Y C 0.876 176.772 175.900 -0.006 0.000 1.147 256 Y CA -0.093 58.018 58.100 0.018 0.000 1.219 256 Y CB 0.950 39.435 38.460 0.041 0.000 1.279 256 Y HN 0.074 nan 8.280 nan 0.000 0.541 257 G N 2.131 110.976 108.800 0.076 0.000 2.421 257 G HA2 -0.309 4.059 3.960 0.680 0.000 0.300 257 G HA3 -0.309 4.059 3.960 0.680 0.000 0.300 257 G C -0.057 174.864 174.900 0.035 0.000 0.974 257 G CA 0.335 45.456 45.100 0.036 0.000 1.062 257 G HN 0.440 nan 8.290 nan 0.000 0.514 258 I N -0.255 120.334 120.570 0.030 0.000 2.353 258 I HA 0.192 4.769 4.170 0.680 0.000 0.293 258 I C 0.246 176.327 176.117 -0.059 0.000 0.992 258 I CA -0.796 60.490 61.300 -0.023 0.000 1.268 258 I CB 1.251 39.203 38.000 -0.080 0.000 1.387 258 I HN -0.013 nan 8.210 nan 0.000 0.478 259 D N 5.596 125.956 120.400 -0.067 0.000 2.358 259 D HA 0.163 5.211 4.640 0.680 0.000 0.258 259 D C -0.681 175.545 176.300 -0.123 0.000 1.223 259 D CA 0.180 54.132 54.000 -0.081 0.000 0.886 259 D CB 0.813 41.567 40.800 -0.076 0.000 1.120 259 D HN 0.076 nan 8.370 nan 0.000 0.482 260 V N 6.549 126.396 119.914 -0.112 0.000 2.294 260 V HA 0.313 4.841 4.120 0.680 0.000 0.272 260 V C -1.687 174.350 176.094 -0.095 0.000 1.027 260 V CA -1.459 60.762 62.300 -0.132 0.000 0.823 260 V CB 0.819 32.581 31.823 -0.102 0.000 1.030 260 V HN 0.575 nan 8.190 nan 0.000 0.457 261 P HA 0.129 nan 4.420 nan 0.000 0.271 261 P C -0.406 176.976 177.300 0.136 0.000 1.233 261 P CA -0.339 62.763 63.100 0.003 0.000 0.789 261 P CB 0.446 32.128 31.700 -0.030 0.000 0.951 262 D N 0.158 120.632 120.400 0.123 0.000 2.425 262 D HA 0.339 5.387 4.640 0.680 0.000 0.247 262 D C 1.070 177.468 176.300 0.164 0.000 1.147 262 D CA 1.387 55.446 54.000 0.097 0.000 0.879 262 D CB -0.203 40.638 40.800 0.068 0.000 1.179 262 D HN 0.622 nan 8.370 nan 0.000 0.456 263 G N 2.560 111.362 108.800 0.003 0.000 2.164 263 G HA2 -0.199 4.169 3.960 0.680 0.000 0.212 263 G HA3 -0.199 4.169 3.960 0.680 0.000 0.212 263 G C -0.256 174.207 174.900 -0.729 0.000 1.031 263 G CA -0.418 44.590 45.100 -0.154 0.000 0.730 263 G HN 0.364 nan 8.290 nan 0.000 0.501 264 F N -0.522 119.064 119.950 -0.608 0.000 2.540 264 F HA 0.829 5.764 4.527 0.680 0.000 0.317 264 F C 0.114 175.563 175.800 -0.584 0.000 1.104 264 F CA -1.082 56.658 58.000 -0.434 0.000 0.913 264 F CB 1.585 40.461 39.000 -0.207 0.000 1.170 264 F HN -0.002 nan 8.300 nan 0.000 0.450 265 F N 0.264 120.296 119.950 0.136 0.000 2.640 265 F HA 0.604 5.539 4.527 0.680 0.000 0.324 265 F C -0.073 175.898 175.800 0.284 0.000 1.077 265 F CA -1.504 56.600 58.000 0.173 0.000 0.965 265 F CB 0.541 39.627 39.000 0.143 0.000 1.351 265 F HN 0.278 nan 8.300 nan 0.000 0.487 266 C N 0.859 120.421 119.300 0.436 0.000 2.656 266 C HA 0.225 5.093 4.460 0.680 0.000 0.391 266 C C 0.601 175.743 174.990 0.254 0.000 1.300 266 C CA -0.610 58.607 59.018 0.332 0.000 2.302 266 C CB -0.160 27.738 27.740 0.263 0.000 2.655 266 C HN 0.685 nan 8.230 nan 0.000 0.656 267 E N 0.719 120.996 120.200 0.128 0.000 2.383 267 E HA 0.123 4.881 4.350 0.680 0.000 0.264 267 E C 0.283 176.834 176.600 -0.082 0.000 1.050 267 E CA -0.099 56.247 56.400 -0.090 0.000 0.896 267 E CB 0.483 30.148 29.700 -0.057 0.000 0.982 267 E HN 0.474 nan 8.360 nan 0.000 0.424 268 R N 3.179 123.579 120.500 -0.165 0.000 2.401 268 R HA 0.086 4.834 4.340 0.680 0.000 0.299 268 R C -0.529 175.728 176.300 -0.073 0.000 1.064 268 R CA -0.086 55.954 56.100 -0.099 0.000 1.000 268 R CB 0.504 30.737 30.300 -0.111 0.000 0.973 268 R HN 0.427 nan 8.270 nan 0.000 0.438 269 R N 4.693 125.165 120.500 -0.048 0.000 2.229 269 R HA 0.248 4.995 4.340 0.680 0.000 0.332 269 R C -0.280 176.026 176.300 0.012 0.000 0.989 269 R CA -0.676 55.411 56.100 -0.022 0.000 0.842 269 R CB 1.512 31.797 30.300 -0.025 0.000 1.119 269 R HN 0.532 nan 8.270 nan 0.000 0.456 270 R N 0.931 121.451 120.500 0.033 0.000 2.357 270 R HA 0.101 4.849 4.340 0.680 0.000 0.296 270 R C 0.543 176.924 176.300 0.135 0.000 1.052 270 R CA -0.182 55.945 56.100 0.046 0.000 0.988 270 R CB 1.414 31.709 30.300 -0.008 0.000 1.025 270 R HN 0.492 nan 8.270 nan 0.000 0.469 271 T N 0.360 114.992 114.554 0.130 0.000 2.860 271 T HA 0.483 5.241 4.350 0.680 0.000 0.299 271 T C -0.381 174.272 174.700 -0.079 0.000 1.045 271 T CA -0.232 61.898 62.100 0.051 0.000 1.071 271 T CB 0.859 69.752 68.868 0.042 0.000 0.985 271 T HN 0.679 nan 8.240 nan 0.000 0.537 272 A N 3.689 126.397 122.820 -0.187 0.000 2.577 272 A HA 0.656 5.384 4.320 0.680 0.000 0.297 272 A C -0.940 176.563 177.584 -0.135 0.000 1.060 272 A CA -0.865 51.096 52.037 -0.126 0.000 0.697 272 A CB 1.393 20.353 19.000 -0.068 0.000 1.281 272 A HN 0.858 nan 8.150 nan 0.000 0.402 273 M N 1.056 120.606 119.600 -0.083 0.000 2.530 273 M HA 0.604 5.492 4.480 0.680 0.000 0.307 273 M C 0.275 176.647 176.300 0.121 0.000 1.161 273 M CA -0.347 54.945 55.300 -0.013 0.000 0.903 273 M CB 2.706 35.231 32.600 -0.124 0.000 1.711 273 M HN 0.956 nan 8.290 nan 0.000 0.451 274 G N 0.781 109.727 108.800 0.242 0.000 2.502 274 G HA2 0.616 4.983 3.960 0.680 0.000 0.311 274 G HA3 0.616 4.983 3.960 0.680 0.000 0.311 274 G C -0.380 174.649 174.900 0.216 0.000 1.270 274 G CA -0.580 44.652 45.100 0.221 0.000 0.948 274 G HN 0.872 nan 8.290 nan 0.000 0.487 275 G N 2.282 111.192 108.800 0.185 0.000 2.444 275 G HA2 0.538 4.905 3.960 0.680 0.000 0.268 275 G HA3 0.538 4.905 3.960 0.680 0.000 0.268 275 G C -2.543 172.287 174.900 -0.116 0.000 1.203 275 G CA -1.206 43.856 45.100 -0.062 0.000 0.835 275 G HN 0.405 nan 8.290 nan 0.000 0.543 276 P HA 0.000 nan 4.420 nan 0.000 0.260 276 P C 0.291 177.570 177.300 -0.034 0.000 1.207 276 P CA -0.287 62.728 63.100 -0.141 0.000 0.780 276 P CB 0.436 32.046 31.700 -0.149 0.000 0.789 277 F N 5.201 125.076 119.950 -0.125 0.000 2.171 277 F HA -0.191 4.744 4.527 0.679 0.000 0.300 277 F C 2.181 177.954 175.800 -0.044 0.000 1.090 277 F CA 1.766 59.724 58.000 -0.071 0.000 1.293 277 F CB -0.787 38.177 39.000 -0.060 0.000 1.013 277 F HN 0.354 nan 8.300 nan 0.000 0.486 278 A N 0.167 122.964 122.820 -0.039 0.000 1.971 278 A HA -0.273 4.454 4.320 0.680 0.000 0.222 278 A C 2.128 179.613 177.584 -0.165 0.000 1.182 278 A CA 2.337 54.317 52.037 -0.094 0.000 0.649 278 A CB -1.228 17.764 19.000 -0.013 0.000 0.818 278 A HN 0.542 nan 8.150 nan 0.000 0.458 279 L N -1.553 119.584 121.223 -0.143 0.000 2.463 279 L HA 0.195 4.943 4.340 0.680 0.000 0.219 279 L C 1.480 178.259 176.870 -0.151 0.000 1.088 279 L CA 1.270 56.036 54.840 -0.124 0.000 0.849 279 L CB -0.277 41.724 42.059 -0.097 0.000 1.012 279 L HN 0.190 nan 8.230 nan 0.000 0.468 280 N N 0.537 119.123 118.700 -0.189 0.000 2.331 280 N HA -0.020 5.127 4.740 0.680 0.000 0.180 280 N C 1.847 177.235 175.510 -0.204 0.000 1.019 280 N CA 1.190 54.153 53.050 -0.144 0.000 0.881 280 N CB -0.146 38.314 38.487 -0.045 0.000 0.972 280 N HN 0.513 nan 8.380 nan 0.000 0.435 281 A N 1.725 124.273 122.820 -0.453 0.000 1.883 281 A HA -0.076 4.651 4.320 0.680 0.000 0.217 281 A C -0.259 177.218 177.584 -0.179 0.000 1.186 281 A CA 1.395 53.175 52.037 -0.428 0.000 0.624 281 A CB -1.479 17.154 19.000 -0.612 0.000 0.822 281 A HN 0.210 nan 8.150 nan 0.000 0.444 282 P HA -0.068 nan 4.420 nan 0.000 0.219 282 P C 1.332 178.941 177.300 0.514 0.000 1.150 282 P CA 0.758 63.932 63.100 0.123 0.000 0.814 282 P CB -0.090 31.762 31.700 0.252 0.000 0.787 283 I N -1.678 119.075 120.570 0.305 0.000 2.286 283 I HA -0.174 4.404 4.170 0.680 0.000 0.245 283 I C 2.140 178.514 176.117 0.428 0.000 1.104 283 I CA 1.520 63.084 61.300 0.440 0.000 1.397 283 I CB -0.560 37.562 38.000 0.203 0.000 1.072 283 I HN -0.066 nan 8.210 nan 0.000 0.417 284 M N 0.490 120.237 119.600 0.245 0.000 2.296 284 M HA -0.070 4.817 4.480 0.680 0.000 0.265 284 M C 2.373 178.809 176.300 0.227 0.000 1.064 284 M CA 1.393 56.818 55.300 0.208 0.000 1.109 284 M CB -0.408 32.272 32.600 0.133 0.000 1.396 284 M HN 0.216 nan 8.290 nan 0.000 0.430 285 A N -0.260 122.723 122.820 0.271 0.000 2.067 285 A HA -0.028 4.699 4.320 0.680 0.000 0.219 285 A C 2.138 179.918 177.584 0.327 0.000 1.158 285 A CA 1.334 53.551 52.037 0.300 0.000 0.661 285 A CB -0.480 18.744 19.000 0.373 0.000 0.801 285 A HN 0.327 nan 8.150 nan 0.000 0.452 286 V N -1.408 118.728 119.914 0.371 0.000 2.788 286 V HA 0.059 4.586 4.120 0.680 0.000 0.241 286 V C 2.834 179.047 176.094 0.198 0.000 1.083 286 V CA 1.059 63.506 62.300 0.245 0.000 1.103 286 V CB -0.645 31.321 31.823 0.238 0.000 0.800 286 V HN 0.502 nan 8.190 nan 0.000 0.476 287 A N 0.053 123.034 122.820 0.268 0.000 1.933 287 A HA -0.288 4.439 4.320 0.680 0.000 0.218 287 A C 2.125 179.756 177.584 0.079 0.000 1.175 287 A CA 2.357 54.501 52.037 0.179 0.000 0.628 287 A CB -0.447 18.691 19.000 0.230 0.000 0.814 287 A HN 0.513 nan 8.150 nan 0.000 0.444 288 Q N 0.138 120.001 119.800 0.105 0.000 2.046 288 Q HA -0.043 4.705 4.340 0.680 0.000 0.200 288 Q C -0.777 175.247 176.000 0.039 0.000 0.975 288 Q CA 2.107 57.959 55.803 0.081 0.000 0.836 288 Q CB -1.248 27.552 28.738 0.103 0.000 0.896 288 Q HN 0.435 nan 8.270 nan 0.000 0.428 289 P HA -0.143 nan 4.420 nan 0.000 0.216 289 P C 1.303 178.565 177.300 -0.062 0.000 1.150 289 P CA 1.092 64.190 63.100 -0.004 0.000 0.837 289 P CB -0.044 31.659 31.700 0.004 0.000 0.786 290 V N 0.010 119.857 119.914 -0.112 0.000 2.255 290 V HA -0.275 4.252 4.120 0.680 0.000 0.247 290 V C 2.500 178.443 176.094 -0.251 0.000 1.051 290 V CA 1.888 64.041 62.300 -0.245 0.000 1.018 290 V CB -0.918 30.654 31.823 -0.419 0.000 0.641 290 V HN 0.073 nan 8.190 nan 0.000 0.445 291 R N 0.068 120.446 120.500 -0.202 0.000 2.117 291 R HA -0.189 4.559 4.340 0.680 0.000 0.243 291 R C 2.130 178.315 176.300 -0.193 0.000 1.143 291 R CA 1.711 57.637 56.100 -0.289 0.000 0.968 291 R CB -0.447 29.859 30.300 0.011 0.000 0.863 291 R HN 0.547 nan 8.270 nan 0.000 0.444 292 N N 0.706 119.385 118.700 -0.034 0.000 2.216 292 N HA -0.149 4.999 4.740 0.680 0.000 0.183 292 N C 1.596 177.092 175.510 -0.023 0.000 1.017 292 N CA 1.071 54.141 53.050 0.033 0.000 0.861 292 N CB -0.066 38.432 38.487 0.018 0.000 0.986 292 N HN 0.264 nan 8.380 nan 0.000 0.428 293 K N 1.596 121.946 120.400 -0.083 0.000 2.025 293 K HA -0.012 4.716 4.320 0.680 0.000 0.207 293 K C 1.992 178.542 176.600 -0.083 0.000 1.049 293 K CA 0.984 57.221 56.287 -0.084 0.000 0.933 293 K CB -0.127 32.330 32.500 -0.072 0.000 0.714 293 K HN 0.270 nan 8.250 nan 0.000 0.438 294 I N -2.004 118.494 120.570 -0.121 0.000 3.251 294 I HA -0.043 4.535 4.170 0.680 0.000 0.277 294 I C 0.890 177.029 176.117 0.038 0.000 1.268 294 I CA 0.572 61.867 61.300 -0.008 0.000 1.449 294 I CB -0.178 37.712 38.000 -0.184 0.000 1.083 294 I HN 0.021 nan 8.210 nan 0.000 0.464 295 Y N 2.041 122.365 120.300 0.041 0.000 2.517 295 Y HA 0.050 5.007 4.550 0.678 0.000 0.281 295 Y C 2.764 178.608 175.900 -0.093 0.000 1.125 295 Y CA 0.243 58.377 58.100 0.056 0.000 1.283 295 Y CB -0.444 38.087 38.460 0.118 0.000 1.042 295 Y HN 0.406 nan 8.280 nan 0.000 0.547 296 S N -0.331 115.382 115.700 0.022 0.000 2.400 296 S HA -0.035 4.843 4.470 0.680 0.000 0.170 296 S C 1.970 176.496 174.600 -0.124 0.000 0.917 296 S CA 0.322 58.469 58.200 -0.089 0.000 1.028 296 S CB -0.625 62.519 63.200 -0.093 0.000 0.810 296 S HN 0.167 nan 8.310 nan 0.000 0.504 297 K N 0.489 120.761 120.400 -0.213 0.000 2.163 297 K HA -0.191 4.537 4.320 0.680 0.000 0.210 297 K C 0.141 176.477 176.600 -0.440 0.000 1.048 297 K CA 1.682 57.731 56.287 -0.395 0.000 0.928 297 K CB -0.312 31.814 32.500 -0.623 0.000 0.716 297 K HN 0.605 nan 8.250 nan 0.000 0.459 298 Y N -0.760 119.556 120.300 0.026 0.000 2.764 298 Y HA 0.364 5.322 4.550 0.681 0.000 0.350 298 Y C 0.924 176.805 175.900 -0.032 0.000 0.982 298 Y CA -0.343 57.755 58.100 -0.004 0.000 1.431 298 Y CB 0.307 38.770 38.460 0.005 0.000 1.326 298 Y HN 0.076 nan 8.280 nan 0.000 0.550 299 A N -0.775 122.094 122.820 0.081 0.000 2.066 299 A HA -0.194 4.534 4.320 0.680 0.000 0.218 299 A C 1.862 179.470 177.584 0.040 0.000 1.157 299 A CA 0.942 53.023 52.037 0.074 0.000 0.670 299 A CB -0.671 18.318 19.000 -0.018 0.000 0.804 299 A HN 0.640 nan 8.150 nan 0.000 0.453 300 Y N 1.815 122.072 120.300 -0.071 0.000 2.081 300 Y HA -0.288 4.669 4.550 0.680 0.000 0.280 300 Y C 2.817 178.664 175.900 -0.088 0.000 1.163 300 Y CA 2.764 60.822 58.100 -0.070 0.000 1.135 300 Y CB -0.445 37.959 38.460 -0.095 0.000 0.970 300 Y HN 0.412 nan 8.280 nan 0.000 0.498 301 T N -3.156 111.382 114.554 -0.027 0.000 3.057 301 T HA 0.039 4.797 4.350 0.680 0.000 0.254 301 T C 1.419 175.990 174.700 -0.214 0.000 1.094 301 T CA 0.784 62.749 62.100 -0.225 0.000 1.088 301 T CB -0.700 67.815 68.868 -0.588 0.000 0.934 301 T HN 0.373 nan 8.240 nan 0.000 0.497 302 F N -0.249 119.697 119.950 -0.006 0.000 2.667 302 F HA 0.341 5.279 4.527 0.685 0.000 0.288 302 F C 1.280 176.962 175.800 -0.196 0.000 1.086 302 F CA -0.834 57.174 58.000 0.014 0.000 1.297 302 F CB 0.449 39.425 39.000 -0.040 0.000 1.059 302 F HN 0.227 nan 8.300 nan 0.000 0.624 303 H N 2.205 121.098 119.070 -0.294 0.000 2.690 303 H HA 0.249 5.212 4.556 0.678 0.000 0.289 303 H C -1.084 173.872 175.328 -0.619 0.000 1.089 303 H CA -0.021 55.822 56.048 -0.342 0.000 1.299 303 H CB -0.063 29.650 29.762 -0.081 0.000 1.405 303 H HN 0.174 nan 8.280 nan 0.000 0.463 304 H N 3.966 122.849 119.070 -0.312 0.000 2.689 304 H HA 0.145 5.108 4.556 0.678 0.000 0.346 304 H C 0.495 175.673 175.328 -0.249 0.000 1.037 304 H CA -0.471 55.455 56.048 -0.204 0.000 1.234 304 H CB 2.081 31.812 29.762 -0.050 0.000 1.572 304 H HN 0.687 nan 8.280 nan 0.000 0.524 305 T N -0.320 114.194 114.554 -0.067 0.000 3.422 305 T HA 0.085 4.843 4.350 0.680 0.000 0.192 305 T C 1.042 175.773 174.700 0.051 0.000 0.857 305 T CA 0.512 62.606 62.100 -0.011 0.000 1.400 305 T CB -0.377 68.421 68.868 -0.116 0.000 1.864 305 T HN 0.560 nan 8.240 nan 0.000 0.415 306 T N 0.274 114.801 114.554 -0.046 0.000 2.824 306 T HA 0.369 5.126 4.350 0.680 0.000 0.277 306 T C 1.216 175.852 174.700 -0.107 0.000 0.975 306 T CA -0.728 61.334 62.100 -0.063 0.000 0.966 306 T CB 0.898 69.715 68.868 -0.086 0.000 1.054 306 T HN 0.565 nan 8.240 nan 0.000 0.533 307 R N -0.056 120.384 120.500 -0.100 0.000 2.237 307 R HA 0.073 4.821 4.340 0.680 0.000 0.219 307 R C 1.453 177.718 176.300 -0.059 0.000 1.080 307 R CA 0.662 56.695 56.100 -0.112 0.000 0.995 307 R CB -0.675 29.613 30.300 -0.020 0.000 0.875 307 R HN 0.373 nan 8.270 nan 0.000 0.462 308 L N 0.905 122.099 121.223 -0.049 0.000 2.556 308 L HA 0.086 4.834 4.340 0.680 0.000 0.226 308 L C 2.063 178.909 176.870 -0.041 0.000 1.089 308 L CA 0.715 55.545 54.840 -0.016 0.000 0.864 308 L CB -0.466 41.582 42.059 -0.018 0.000 1.067 308 L HN 0.271 nan 8.230 nan 0.000 0.477 309 N N 0.527 119.184 118.700 -0.072 0.000 2.106 309 N HA -0.212 4.936 4.740 0.680 0.000 0.188 309 N C 1.658 177.108 175.510 -0.099 0.000 1.029 309 N CA 1.370 54.380 53.050 -0.067 0.000 0.848 309 N CB 0.242 38.698 38.487 -0.051 0.000 1.007 309 N HN 0.302 nan 8.380 nan 0.000 0.423 310 K N 0.812 121.106 120.400 -0.178 0.000 2.026 310 K HA -0.164 4.564 4.320 0.680 0.000 0.208 310 K C 2.077 178.629 176.600 -0.080 0.000 1.048 310 K CA 1.375 57.492 56.287 -0.283 0.000 0.929 310 K CB -0.215 31.792 32.500 -0.821 0.000 0.713 310 K HN 0.303 nan 8.250 nan 0.000 0.439 311 E N 1.518 121.781 120.200 0.106 0.000 2.070 311 E HA -0.269 4.489 4.350 0.680 0.000 0.197 311 E C 1.742 178.353 176.600 0.018 0.000 1.004 311 E CA 1.631 58.175 56.400 0.240 0.000 0.805 311 E CB 0.078 29.903 29.700 0.208 0.000 0.744 311 E HN 0.278 nan 8.360 nan 0.000 0.451 312 E N 0.208 120.393 120.200 -0.025 0.000 2.114 312 E HA -0.248 4.509 4.350 0.680 0.000 0.199 312 E C 2.150 178.688 176.600 -0.103 0.000 1.008 312 E CA 1.581 57.953 56.400 -0.048 0.000 0.810 312 E CB -0.043 29.636 29.700 -0.036 0.000 0.739 312 E HN 0.237 nan 8.360 nan 0.000 0.456 313 K N 0.114 120.392 120.400 -0.203 0.000 2.103 313 K HA -0.052 4.676 4.320 0.680 0.000 0.204 313 K C 1.979 178.229 176.600 -0.582 0.000 1.052 313 K CA 0.898 56.979 56.287 -0.343 0.000 0.945 313 K CB 0.186 32.330 32.500 -0.593 0.000 0.722 313 K HN -0.017 nan 8.250 nan 0.000 0.443 314 V N 1.309 120.824 119.914 -0.665 0.000 3.406 314 V HA -0.049 4.479 4.120 0.680 0.000 0.263 314 V C 1.721 177.582 176.094 -0.389 0.000 1.172 314 V CA 0.965 62.681 62.300 -0.973 0.000 1.140 314 V CB -0.142 31.267 31.823 -0.690 0.000 0.784 314 V HN 0.198 nan 8.190 nan 0.000 0.467 315 K N 0.197 120.478 120.400 -0.198 0.000 2.362 315 K HA -0.084 4.644 4.320 0.680 0.000 0.200 315 K C 1.553 178.175 176.600 0.036 0.000 1.046 315 K CA 0.926 57.184 56.287 -0.049 0.000 0.952 315 K CB 0.093 32.578 32.500 -0.025 0.000 0.753 315 K HN 0.555 nan 8.250 nan 0.000 0.466 316 E N -0.808 119.418 120.200 0.044 0.000 2.474 316 E HA -0.023 4.735 4.350 0.680 0.000 0.195 316 E C -0.485 176.340 176.600 0.376 0.000 1.039 316 E CA -0.250 56.260 56.400 0.184 0.000 0.881 316 E CB 0.308 30.124 29.700 0.193 0.000 0.970 316 E HN 0.128 nan 8.360 nan 0.000 0.486 317 W N 0.739 122.115 121.300 0.127 0.000 2.313 317 W HA 0.164 5.274 4.660 0.751 0.000 0.328 317 W C 1.226 177.838 176.519 0.155 0.000 1.197 317 W CA -1.095 56.338 57.345 0.147 0.000 1.235 317 W CB 1.064 30.613 29.460 0.147 0.000 1.158 317 W HN -0.160 nan 8.180 nan 0.000 0.578 318 S N 0.994 116.918 115.700 0.373 0.000 2.486 318 S HA 0.095 4.973 4.470 0.680 0.000 0.220 318 S C -0.024 174.744 174.600 0.281 0.000 1.011 318 S CA 0.135 58.503 58.200 0.281 0.000 0.921 318 S CB 0.122 63.460 63.200 0.230 0.000 0.785 318 S HN 0.251 nan 8.310 nan 0.000 0.517 319 L N 0.578 121.997 121.223 0.327 0.000 2.455 319 L HA 0.616 5.363 4.340 0.680 0.000 0.264 319 L C -1.715 175.421 176.870 0.442 0.000 0.968 319 L CA -0.728 54.289 54.840 0.295 0.000 0.827 319 L CB 1.756 43.873 42.059 0.096 0.000 1.317 319 L HN 0.091 nan 8.230 nan 0.000 0.407 320 C N 5.625 125.207 119.300 0.469 0.000 2.356 320 C HA 0.781 5.649 4.460 0.680 0.000 0.324 320 C C -0.813 174.398 174.990 0.367 0.000 1.167 320 C CA -0.466 58.882 59.018 0.551 0.000 1.420 320 C CB 0.240 28.374 27.740 0.657 0.000 2.036 320 C HN 0.595 nan 8.230 nan 0.000 0.435 321 V N 6.353 126.417 119.914 0.249 0.000 2.350 321 V HA 0.607 5.135 4.120 0.680 0.000 0.276 321 V C 0.780 176.893 176.094 0.033 0.000 1.028 321 V CA -0.052 62.244 62.300 -0.006 0.000 0.860 321 V CB 1.243 33.044 31.823 -0.038 0.000 0.990 321 V HN 1.027 nan 8.190 nan 0.000 0.453 322 A N 4.381 127.230 122.820 0.048 0.000 2.279 322 A HA 0.679 5.406 4.320 0.680 0.000 0.306 322 A C 0.563 178.196 177.584 0.081 0.000 1.300 322 A CA -0.127 51.960 52.037 0.084 0.000 0.925 322 A CB 0.394 19.480 19.000 0.144 0.000 1.152 322 A HN 0.892 nan 8.150 nan 0.000 0.544 323 T N -0.716 113.872 114.554 0.056 0.000 2.893 323 T HA 0.694 5.451 4.350 0.680 0.000 0.279 323 T C -0.777 174.019 174.700 0.161 0.000 0.991 323 T CA -0.254 61.919 62.100 0.122 0.000 0.950 323 T CB 1.597 70.558 68.868 0.156 0.000 1.223 323 T HN 0.599 nan 8.240 nan 0.000 0.585 324 D N -0.144 120.385 120.400 0.215 0.000 2.251 324 D HA 0.278 5.326 4.640 0.680 0.000 0.210 324 D C -1.274 175.139 176.300 0.187 0.000 1.304 324 D CA -0.494 53.614 54.000 0.179 0.000 0.912 324 D CB 0.745 41.606 40.800 0.103 0.000 1.553 324 D HN 0.559 nan 8.370 nan 0.000 0.526 325 V N 2.240 122.286 119.914 0.220 0.000 2.607 325 V HA 0.562 5.090 4.120 0.680 0.000 0.289 325 V C 0.821 177.014 176.094 0.166 0.000 1.053 325 V CA -0.653 61.764 62.300 0.194 0.000 0.996 325 V CB 1.499 33.472 31.823 0.249 0.000 0.995 325 V HN 0.643 nan 8.190 nan 0.000 0.476 326 S N 2.988 118.765 115.700 0.127 0.000 2.489 326 S HA 0.271 5.149 4.470 0.680 0.000 0.277 326 S C 0.342 175.101 174.600 0.265 0.000 1.230 326 S CA -0.246 58.045 58.200 0.153 0.000 1.053 326 S CB 0.089 63.358 63.200 0.114 0.000 0.955 326 S HN 0.944 nan 8.310 nan 0.000 0.488 327 D N 2.641 123.197 120.400 0.260 0.000 2.689 327 D HA -0.229 4.819 4.640 0.680 0.000 0.237 327 D C 0.799 177.325 176.300 0.377 0.000 1.148 327 D CA 1.035 55.207 54.000 0.286 0.000 0.656 327 D CB -1.403 39.572 40.800 0.292 0.000 1.050 327 D HN 0.903 nan 8.370 nan 0.000 0.426 328 H N 0.244 119.446 119.070 0.220 0.000 2.353 328 H HA -0.157 4.806 4.556 0.678 0.000 0.298 328 H C 1.210 176.682 175.328 0.241 0.000 1.103 328 H CA 2.154 58.343 56.048 0.234 0.000 1.293 328 H CB 0.360 30.228 29.762 0.177 0.000 1.372 328 H HN 0.312 nan 8.280 nan 0.000 0.501 329 D N -0.322 120.322 120.400 0.406 0.000 2.117 329 D HA -0.094 4.954 4.640 0.680 0.000 0.198 329 D C 2.065 178.436 176.300 0.117 0.000 0.982 329 D CA 2.243 56.404 54.000 0.269 0.000 0.828 329 D CB -0.393 40.479 40.800 0.119 0.000 0.967 329 D HN 0.616 nan 8.370 nan 0.000 0.464 330 T N -2.528 112.053 114.554 0.045 0.000 3.129 330 T HA 0.085 4.843 4.350 0.680 0.000 0.251 330 T C 1.657 176.264 174.700 -0.155 0.000 1.117 330 T CA 0.084 62.138 62.100 -0.077 0.000 1.034 330 T CB -0.361 68.412 68.868 -0.158 0.000 0.968 330 T HN 0.054 nan 8.240 nan 0.000 0.526 331 F N -0.562 119.409 119.950 0.036 0.000 2.582 331 F HA 0.379 5.315 4.527 0.683 0.000 0.290 331 F C 0.854 176.630 175.800 -0.041 0.000 1.115 331 F CA -1.682 56.318 58.000 0.000 0.000 1.445 331 F CB 0.141 39.132 39.000 -0.015 0.000 1.126 331 F HN 0.150 nan 8.300 nan 0.000 0.574 332 W N 5.519 126.759 121.300 -0.101 0.000 2.493 332 W HA -0.037 5.031 4.660 0.679 0.000 0.337 332 W C -2.269 174.113 176.519 -0.228 0.000 1.234 332 W CA -1.335 55.865 57.345 -0.242 0.000 1.286 332 W CB 0.037 29.372 29.460 -0.208 0.000 1.188 332 W HN -0.168 nan 8.180 nan 0.000 0.564 333 P HA 0.099 nan 4.420 nan 0.000 0.287 333 P C 0.699 177.527 177.300 -0.786 0.000 1.281 333 P CA 0.264 62.870 63.100 -0.822 0.000 0.781 333 P CB 1.232 31.951 31.700 -1.636 0.000 0.903 334 G N 4.327 112.965 108.800 -0.270 0.000 2.505 334 G HA2 -0.265 4.103 3.960 0.680 0.000 0.220 334 G HA3 -0.265 4.103 3.960 0.680 0.000 0.220 334 G C 1.271 176.092 174.900 -0.131 0.000 1.145 334 G CA 0.413 45.466 45.100 -0.078 0.000 0.761 334 G HN 0.694 nan 8.290 nan 0.000 0.571 335 W N 0.261 121.477 121.300 -0.141 0.000 2.363 335 W HA 0.024 5.089 4.660 0.676 0.000 0.296 335 W C 1.791 178.169 176.519 -0.234 0.000 1.212 335 W CA 0.635 57.892 57.345 -0.147 0.000 1.260 335 W CB -1.257 28.126 29.460 -0.130 0.000 1.131 335 W HN 0.173 nan 8.180 nan 0.000 0.530 336 L N 2.478 123.172 121.223 -0.882 0.000 2.127 336 L HA -0.188 4.559 4.340 0.680 0.000 0.211 336 L C 2.959 179.639 176.870 -0.317 0.000 1.089 336 L CA 2.261 56.597 54.840 -0.839 0.000 0.757 336 L CB -1.071 40.077 42.059 -1.519 0.000 0.899 336 L HN 0.057 nan 8.230 nan 0.000 0.434 337 R N -0.618 119.773 120.500 -0.181 0.000 2.066 337 R HA -0.149 4.598 4.340 0.680 0.000 0.232 337 R C 1.777 178.159 176.300 0.137 0.000 1.131 337 R CA 1.797 58.010 56.100 0.188 0.000 0.955 337 R CB -0.517 29.974 30.300 0.319 0.000 0.851 337 R HN 0.414 nan 8.270 nan 0.000 0.432 338 D N 1.107 121.568 120.400 0.102 0.000 2.178 338 D HA -0.186 4.862 4.640 0.680 0.000 0.201 338 D C 1.962 178.315 176.300 0.088 0.000 0.980 338 D CA 0.999 55.062 54.000 0.105 0.000 0.842 338 D CB -0.084 40.783 40.800 0.112 0.000 0.948 338 D HN 0.308 nan 8.370 nan 0.000 0.472 339 L N 0.605 121.881 121.223 0.087 0.000 2.007 339 L HA -0.084 4.663 4.340 0.680 0.000 0.205 339 L C 2.436 179.329 176.870 0.038 0.000 1.073 339 L CA 0.867 55.753 54.840 0.076 0.000 0.744 339 L CB -0.192 41.932 42.059 0.109 0.000 0.898 339 L HN -0.119 nan 8.230 nan 0.000 0.435 340 I N -0.561 120.025 120.570 0.027 0.000 2.300 340 I HA -0.429 4.149 4.170 0.680 0.000 0.252 340 I C 2.558 178.602 176.117 -0.122 0.000 1.119 340 I CA 1.371 62.653 61.300 -0.030 0.000 1.384 340 I CB -0.430 37.584 38.000 0.024 0.000 1.062 340 I HN 0.502 nan 8.210 nan 0.000 0.426 341 C N 0.238 119.521 119.300 -0.030 0.000 2.466 341 C HA -0.148 4.720 4.460 0.680 0.000 0.278 341 C C 2.558 177.528 174.990 -0.032 0.000 1.288 341 C CA 1.223 60.222 59.018 -0.032 0.000 1.722 341 C CB -0.807 26.978 27.740 0.075 0.000 2.017 341 C HN 0.554 nan 8.230 nan 0.000 0.488 342 D N 0.503 120.905 120.400 0.002 0.000 2.117 342 D HA -0.159 4.889 4.640 0.680 0.000 0.198 342 D C 2.084 178.377 176.300 -0.012 0.000 0.982 342 D CA 1.388 55.394 54.000 0.010 0.000 0.828 342 D CB -0.159 40.659 40.800 0.030 0.000 0.967 342 D HN 0.374 nan 8.370 nan 0.000 0.464 343 E N -0.361 119.823 120.200 -0.027 0.000 2.150 343 E HA -0.068 4.690 4.350 0.680 0.000 0.193 343 E C 2.079 178.631 176.600 -0.080 0.000 0.985 343 E CA 0.703 57.085 56.400 -0.030 0.000 0.814 343 E CB -0.276 29.418 29.700 -0.009 0.000 0.752 343 E HN 0.382 nan 8.360 nan 0.000 0.466 344 L N -0.277 120.832 121.223 -0.191 0.000 2.027 344 L HA -0.140 4.608 4.340 0.680 0.000 0.206 344 L C 2.452 179.272 176.870 -0.083 0.000 1.074 344 L CA 0.926 55.581 54.840 -0.308 0.000 0.745 344 L CB -0.417 41.259 42.059 -0.639 0.000 0.898 344 L HN 0.188 nan 8.230 nan 0.000 0.433 345 L N -0.072 121.125 121.223 -0.044 0.000 2.089 345 L HA -0.293 4.455 4.340 0.680 0.000 0.213 345 L C 2.356 179.245 176.870 0.032 0.000 1.079 345 L CA 1.215 56.065 54.840 0.017 0.000 0.758 345 L CB -0.615 41.456 42.059 0.019 0.000 0.891 345 L HN 0.433 nan 8.230 nan 0.000 0.433 346 N N -0.215 118.498 118.700 0.022 0.000 2.135 346 N HA -0.128 5.020 4.740 0.680 0.000 0.186 346 N C 1.821 177.356 175.510 0.043 0.000 1.027 346 N CA 1.301 54.368 53.050 0.029 0.000 0.849 346 N CB -0.326 38.175 38.487 0.024 0.000 1.002 346 N HN 0.316 nan 8.380 nan 0.000 0.425 347 M N -0.238 119.398 119.600 0.060 0.000 2.337 347 M HA -0.060 4.828 4.480 0.680 0.000 0.261 347 M C 0.705 177.055 176.300 0.083 0.000 1.067 347 M CA 1.408 56.764 55.300 0.093 0.000 1.074 347 M CB -0.292 32.403 32.600 0.158 0.000 1.395 347 M HN 0.347 nan 8.290 nan 0.000 0.431 348 G N -0.280 108.568 108.800 0.080 0.000 2.226 348 G HA2 -0.220 4.148 3.960 0.680 0.000 0.176 348 G HA3 -0.220 4.148 3.960 0.680 0.000 0.176 348 G C -0.504 174.372 174.900 -0.040 0.000 1.042 348 G CA -0.811 44.298 45.100 0.014 0.000 0.732 348 G HN 0.431 nan 8.290 nan 0.000 0.494 349 Y N 0.733 120.948 120.300 -0.143 0.000 2.309 349 Y HA 0.492 5.450 4.550 0.680 0.000 0.327 349 Y C 1.244 177.009 175.900 -0.225 0.000 1.172 349 Y CA 0.173 58.137 58.100 -0.226 0.000 1.280 349 Y CB 1.222 39.530 38.460 -0.254 0.000 1.234 349 Y HN 0.558 nan 8.280 nan 0.000 0.512 350 A N 6.319 128.978 122.820 -0.268 0.000 2.566 350 A HA 0.052 4.780 4.320 0.680 0.000 0.245 350 A C -1.728 175.656 177.584 -0.334 0.000 1.056 350 A CA -1.041 50.757 52.037 -0.398 0.000 0.757 350 A CB -0.169 18.309 19.000 -0.870 0.000 0.979 350 A HN 0.645 nan 8.150 nan 0.000 0.508 351 P HA -0.209 nan 4.420 nan 0.000 0.214 351 P C 1.696 179.020 177.300 0.040 0.000 1.163 351 P CA 2.066 65.169 63.100 0.006 0.000 0.889 351 P CB -0.243 31.509 31.700 0.088 0.000 0.790 352 W N -1.332 120.051 121.300 0.139 0.000 2.321 352 W HA -0.185 4.883 4.660 0.681 0.000 0.306 352 W C 2.069 178.697 176.519 0.180 0.000 1.217 352 W CA 0.598 58.017 57.345 0.123 0.000 1.257 352 W CB -2.038 27.479 29.460 0.096 0.000 1.145 352 W HN 0.068 nan 8.180 nan 0.000 0.509 353 W N 2.111 123.087 121.300 -0.539 0.000 2.379 353 W HA -0.152 4.915 4.660 0.679 0.000 0.307 353 W C 2.548 179.041 176.519 -0.043 0.000 1.200 353 W CA 2.927 60.085 57.345 -0.312 0.000 1.297 353 W CB -0.733 28.311 29.460 -0.694 0.000 1.140 353 W HN -0.282 nan 8.180 nan 0.000 0.507 354 V N 1.409 121.479 119.914 0.259 0.000 2.392 354 V HA -0.342 4.185 4.120 0.680 0.000 0.249 354 V C 2.347 178.474 176.094 0.055 0.000 1.059 354 V CA 2.359 64.764 62.300 0.175 0.000 1.051 354 V CB -0.987 30.917 31.823 0.134 0.000 0.658 354 V HN 0.105 nan 8.190 nan 0.000 0.455 355 K N 0.151 120.593 120.400 0.069 0.000 2.097 355 K HA -0.089 4.639 4.320 0.680 0.000 0.206 355 K C 1.852 178.479 176.600 0.044 0.000 1.049 355 K CA 1.524 57.862 56.287 0.086 0.000 0.933 355 K CB -0.467 32.103 32.500 0.117 0.000 0.717 355 K HN 0.437 nan 8.250 nan 0.000 0.442 356 L N -0.624 120.578 121.223 -0.035 0.000 2.093 356 L HA -0.100 4.648 4.340 0.680 0.000 0.208 356 L C 2.175 178.915 176.870 -0.218 0.000 1.085 356 L CA 1.065 55.842 54.840 -0.105 0.000 0.755 356 L CB -0.454 41.514 42.059 -0.153 0.000 0.904 356 L HN 0.132 nan 8.230 nan 0.000 0.435 357 F N 1.025 120.660 119.950 -0.525 0.000 2.075 357 F HA -0.254 4.680 4.527 0.679 0.000 0.297 357 F C 2.687 178.372 175.800 -0.192 0.000 1.113 357 F CA 1.957 59.667 58.000 -0.483 0.000 1.218 357 F CB -0.177 38.414 39.000 -0.681 0.000 0.984 357 F HN 0.082 nan 8.300 nan 0.000 0.472 358 E N -0.534 119.715 120.200 0.082 0.000 2.086 358 E HA -0.260 4.498 4.350 0.680 0.000 0.200 358 E C 1.959 178.549 176.600 -0.017 0.000 1.012 358 E CA 2.209 58.652 56.400 0.072 0.000 0.812 358 E CB -0.283 29.485 29.700 0.113 0.000 0.743 358 E HN 0.430 nan 8.360 nan 0.000 0.453 359 T N 0.310 114.858 114.554 -0.010 0.000 2.821 359 T HA -0.136 4.622 4.350 0.680 0.000 0.267 359 T C 1.968 176.627 174.700 -0.069 0.000 1.046 359 T CA 1.394 63.492 62.100 -0.003 0.000 1.139 359 T CB -0.348 68.579 68.868 0.097 0.000 0.871 359 T HN 0.309 nan 8.240 nan 0.000 0.454 360 S N 1.096 116.707 115.700 -0.148 0.000 2.571 360 S HA 0.050 4.928 4.470 0.680 0.000 0.245 360 S C 1.634 176.192 174.600 -0.070 0.000 0.976 360 S CA 0.663 58.777 58.200 -0.143 0.000 0.954 360 S CB -0.627 62.422 63.200 -0.252 0.000 0.756 360 S HN 0.467 nan 8.310 nan 0.000 0.535 361 L N -0.423 120.733 121.223 -0.112 0.000 2.672 361 L HA 0.303 5.051 4.340 0.680 0.000 0.236 361 L C 1.165 178.032 176.870 -0.005 0.000 1.092 361 L CA 0.161 54.951 54.840 -0.083 0.000 0.887 361 L CB 0.149 42.138 42.059 -0.118 0.000 1.168 361 L HN 0.212 nan 8.230 nan 0.000 0.502 362 K N 0.607 121.007 120.400 0.001 0.000 2.681 362 K HA 0.318 5.046 4.320 0.680 0.000 0.211 362 K C -0.380 176.219 176.600 -0.001 0.000 1.075 362 K CA -0.255 56.033 56.287 0.002 0.000 1.141 362 K CB 0.812 33.301 32.500 -0.018 0.000 0.896 362 K HN 0.049 nan 8.250 nan 0.000 0.470 363 L N 1.941 123.203 121.223 0.065 0.000 2.379 363 L HA 0.314 5.062 4.340 0.680 0.000 0.269 363 L C -2.416 174.514 176.870 0.099 0.000 1.084 363 L CA -1.924 52.952 54.840 0.060 0.000 0.802 363 L CB 0.803 42.907 42.059 0.076 0.000 1.175 363 L HN -0.023 nan 8.230 nan 0.000 0.448 364 P HA 0.240 nan 4.420 nan 0.000 0.274 364 P C -1.659 175.732 177.300 0.152 0.000 1.246 364 P CA -0.310 62.847 63.100 0.094 0.000 0.795 364 P CB 0.906 32.649 31.700 0.072 0.000 1.006 365 V N -0.866 119.146 119.914 0.164 0.000 2.588 365 V HA 0.485 5.013 4.120 0.680 0.000 0.304 365 V C -1.293 174.906 176.094 0.175 0.000 1.042 365 V CA -1.047 61.360 62.300 0.177 0.000 0.877 365 V CB 1.383 33.274 31.823 0.112 0.000 0.996 365 V HN 0.393 nan 8.190 nan 0.000 0.425 366 Y N 4.083 124.428 120.300 0.075 0.000 2.365 366 Y HA 0.644 5.602 4.550 0.679 0.000 0.340 366 Y C 0.014 175.851 175.900 -0.105 0.000 1.016 366 Y CA -0.287 57.853 58.100 0.066 0.000 1.196 366 Y CB 1.507 40.073 38.460 0.176 0.000 1.167 366 Y HN 0.673 nan 8.280 nan 0.000 0.509 367 V N 8.320 127.901 119.914 -0.557 0.000 2.385 367 V HA 0.248 4.776 4.120 0.680 0.000 0.269 367 V C 0.906 176.619 176.094 -0.636 0.000 1.043 367 V CA 0.453 62.405 62.300 -0.580 0.000 0.906 367 V CB 0.566 31.920 31.823 -0.781 0.000 0.995 367 V HN 1.099 nan 8.190 nan 0.000 0.467 368 G N 4.165 112.701 108.800 -0.440 0.000 2.713 368 G HA2 0.353 4.721 3.960 0.680 0.000 0.170 368 G HA3 0.353 4.721 3.960 0.680 0.000 0.170 368 G C 0.237 175.004 174.900 -0.222 0.000 1.724 368 G CA 0.503 45.421 45.100 -0.304 0.000 0.892 368 G HN 1.059 nan 8.290 nan 0.000 0.376 369 A N -0.198 122.630 122.820 0.013 0.000 2.410 369 A HA 0.685 5.413 4.320 0.680 0.000 0.289 369 A C -1.973 175.739 177.584 0.214 0.000 1.200 369 A CA -1.004 51.121 52.037 0.147 0.000 0.751 369 A CB 2.014 21.176 19.000 0.270 0.000 1.161 369 A HN 0.214 nan 8.150 nan 0.000 0.459 370 P HA 0.249 nan 4.420 nan 0.000 0.226 370 P C 0.447 177.630 177.300 -0.195 0.000 1.161 370 P CA 1.420 64.334 63.100 -0.309 0.000 0.804 370 P CB 0.501 31.997 31.700 -0.340 0.000 0.829 371 A N -1.921 120.796 122.820 -0.172 0.000 2.581 371 A HA 0.636 5.364 4.320 0.680 0.000 0.290 371 A C -3.065 174.200 177.584 -0.532 0.000 1.119 371 A CA -1.593 50.109 52.037 -0.558 0.000 0.670 371 A CB 0.176 18.994 19.000 -0.303 0.000 1.280 371 A HN -0.281 nan 8.150 nan 0.000 0.425 372 P HA 0.442 nan 4.420 nan 0.000 0.271 372 P C -0.562 176.676 177.300 -0.103 0.000 1.216 372 P CA 0.887 63.822 63.100 -0.274 0.000 0.771 372 P CB 0.513 32.080 31.700 -0.221 0.000 0.864 373 E N -0.128 120.062 120.200 -0.017 0.000 2.358 373 E HA -0.219 4.539 4.350 0.680 0.000 0.246 373 E C -0.689 175.923 176.600 0.020 0.000 1.127 373 E CA 1.113 57.504 56.400 -0.014 0.000 0.726 373 E CB -1.682 28.005 29.700 -0.022 0.000 1.272 373 E HN 0.499 nan 8.360 nan 0.000 0.390 374 Q N -1.598 118.249 119.800 0.077 0.000 2.527 374 Q HA 0.584 5.332 4.340 0.680 0.000 0.280 374 Q C 0.213 176.385 176.000 0.287 0.000 0.977 374 Q CA -0.473 55.438 55.803 0.179 0.000 0.837 374 Q CB 2.100 30.955 28.738 0.195 0.000 1.454 374 Q HN 0.369 nan 8.270 nan 0.000 0.387 375 G N 0.304 109.314 108.800 0.350 0.000 2.443 375 G HA2 -0.201 4.167 3.960 0.680 0.000 0.209 375 G HA3 -0.201 4.167 3.960 0.680 0.000 0.209 375 G C -0.961 174.098 174.900 0.264 0.000 1.176 375 G CA 0.119 45.319 45.100 0.168 0.000 1.074 375 G HN 0.950 nan 8.290 nan 0.000 0.577 376 H N -0.347 118.645 119.070 -0.129 0.000 2.756 376 H HA -0.063 4.901 4.556 0.680 0.000 0.315 376 H C 0.227 175.490 175.328 -0.108 0.000 1.210 376 H CA 1.609 57.623 56.048 -0.057 0.000 1.150 376 H CB -1.921 27.885 29.762 0.073 0.000 1.463 376 H HN 0.895 nan 8.280 nan 0.000 0.427 377 T N 0.458 114.838 114.554 -0.289 0.000 2.971 377 T HA 0.471 5.228 4.350 0.680 0.000 0.304 377 T C -0.312 174.308 174.700 -0.134 0.000 1.038 377 T CA -0.853 61.225 62.100 -0.037 0.000 1.007 377 T CB 2.070 71.069 68.868 0.218 0.000 1.055 377 T HN 0.241 nan 8.240 nan 0.000 0.451 378 L N 4.111 125.431 121.223 0.162 0.000 2.289 378 L HA 0.663 5.411 4.340 0.680 0.000 0.285 378 L C -1.289 175.776 176.870 0.324 0.000 1.049 378 L CA -0.395 54.619 54.840 0.290 0.000 0.804 378 L CB 0.415 42.745 42.059 0.452 0.000 1.195 378 L HN 0.591 nan 8.230 nan 0.000 0.428 379 L N 5.998 127.380 121.223 0.265 0.000 2.296 379 L HA 0.785 5.532 4.340 0.680 0.000 0.286 379 L C 0.433 177.423 176.870 0.199 0.000 1.023 379 L CA -0.508 54.470 54.840 0.230 0.000 0.812 379 L CB 1.156 43.351 42.059 0.226 0.000 1.223 379 L HN 0.926 nan 8.230 nan 0.000 0.421 380 G N 2.095 111.004 108.800 0.181 0.000 2.777 380 G HA2 -0.186 4.182 3.960 0.680 0.000 0.686 380 G HA3 -0.186 4.182 3.960 0.680 0.000 0.686 380 G C -0.965 174.117 174.900 0.303 0.000 1.177 380 G CA -0.864 44.339 45.100 0.172 0.000 0.775 380 G HN 0.687 nan 8.290 nan 0.000 0.613 381 D N 2.288 122.851 120.400 0.271 0.000 2.317 381 D HA 0.483 5.531 4.640 0.680 0.000 0.252 381 D C -0.941 175.364 176.300 0.008 0.000 1.174 381 D CA -2.153 51.978 54.000 0.218 0.000 0.866 381 D CB 1.417 42.348 40.800 0.219 0.000 1.127 381 D HN 0.060 nan 8.370 nan 0.000 0.467 382 P HA 0.073 nan 4.420 nan 0.000 0.245 382 P C 0.719 177.927 177.300 -0.153 0.000 1.212 382 P CA 0.308 63.310 63.100 -0.163 0.000 0.774 382 P CB 0.446 32.001 31.700 -0.242 0.000 0.999 383 S N -1.070 114.572 115.700 -0.096 0.000 2.496 383 S HA 0.032 4.910 4.470 0.680 0.000 0.224 383 S C 0.917 175.513 174.600 -0.006 0.000 0.996 383 S CA 0.572 58.765 58.200 -0.011 0.000 0.927 383 S CB -0.362 62.842 63.200 0.006 0.000 0.774 383 S HN 0.123 nan 8.310 nan 0.000 0.524 384 N N 1.051 119.662 118.700 -0.149 0.000 2.824 384 N HA 0.250 5.398 4.740 0.680 0.000 0.224 384 N C -3.412 171.911 175.510 -0.310 0.000 1.418 384 N CA -1.350 51.558 53.050 -0.235 0.000 0.743 384 N CB 0.949 39.420 38.487 -0.027 0.000 1.395 384 N HN -0.086 nan 8.380 nan 0.000 0.548 385 P HA 0.144 nan 4.420 nan 0.000 0.260 385 P C 0.127 177.312 177.300 -0.193 0.000 1.207 385 P CA 0.306 63.204 63.100 -0.336 0.000 0.780 385 P CB 0.499 31.939 31.700 -0.435 0.000 0.789 386 D N 2.192 122.538 120.400 -0.090 0.000 2.498 386 D HA 0.028 5.076 4.640 0.680 0.000 0.223 386 D C 0.513 176.808 176.300 -0.008 0.000 1.125 386 D CA -0.019 53.958 54.000 -0.037 0.000 0.835 386 D CB -0.187 40.602 40.800 -0.017 0.000 1.086 386 D HN 0.092 nan 8.370 nan 0.000 0.510 387 L N 1.862 123.084 121.223 -0.002 0.000 2.529 387 L HA 0.055 4.803 4.340 0.680 0.000 0.287 387 L C 0.676 177.559 176.870 0.021 0.000 1.241 387 L CA 0.834 55.683 54.840 0.015 0.000 0.857 387 L CB 0.257 42.332 42.059 0.028 0.000 1.113 387 L HN -0.017 nan 8.230 nan 0.000 0.504 388 E N 2.908 123.122 120.200 0.023 0.000 2.916 388 E HA 0.152 4.909 4.350 0.680 0.000 0.217 388 E C 0.561 177.176 176.600 0.025 0.000 1.100 388 E CA -0.031 56.389 56.400 0.033 0.000 0.891 388 E CB 0.871 30.594 29.700 0.038 0.000 1.311 388 E HN 0.506 nan 8.360 nan 0.000 0.421 389 V N -0.962 118.959 119.914 0.013 0.000 3.541 389 V HA 0.375 4.903 4.120 0.680 0.000 0.267 389 V C 1.018 177.102 176.094 -0.018 0.000 1.213 389 V CA 0.565 62.858 62.300 -0.011 0.000 1.149 389 V CB -0.544 31.256 31.823 -0.040 0.000 0.822 389 V HN 0.546 nan 8.190 nan 0.000 0.462 390 G N 0.187 109.004 108.800 0.027 0.000 2.451 390 G HA2 -0.145 4.223 3.960 0.680 0.000 0.208 390 G HA3 -0.145 4.223 3.960 0.680 0.000 0.208 390 G C -0.781 174.146 174.900 0.045 0.000 1.248 390 G CA -0.221 44.927 45.100 0.081 0.000 0.989 390 G HN 0.451 nan 8.290 nan 0.000 0.559 391 L N 1.651 122.842 121.223 -0.053 0.000 2.278 391 L HA 0.586 5.334 4.340 0.680 0.000 0.287 391 L C 0.974 177.660 176.870 -0.307 0.000 1.072 391 L CA -0.043 54.558 54.840 -0.399 0.000 0.819 391 L CB 0.997 42.690 42.059 -0.610 0.000 1.176 391 L HN 0.807 nan 8.230 nan 0.000 0.435 392 S N 2.149 117.623 115.700 -0.377 0.000 2.481 392 S HA 0.036 4.913 4.470 0.680 0.000 0.276 392 S C 1.414 175.764 174.600 -0.417 0.000 1.247 392 S CA -0.090 57.828 58.200 -0.471 0.000 1.053 392 S CB 1.023 63.755 63.200 -0.782 0.000 0.925 392 S HN 0.832 nan 8.310 nan 0.000 0.491 393 S N 3.880 119.392 115.700 -0.315 0.000 2.440 393 S HA -0.029 4.849 4.470 0.680 0.000 0.238 393 S C 1.512 176.031 174.600 -0.134 0.000 1.010 393 S CA 0.933 59.018 58.200 -0.193 0.000 0.972 393 S CB -0.504 62.617 63.200 -0.133 0.000 0.774 393 S HN 0.883 nan 8.310 nan 0.000 0.501 394 G N 0.228 108.940 108.800 -0.146 0.000 3.337 394 G HA2 0.183 4.551 3.960 0.680 0.000 0.246 394 G HA3 0.183 4.551 3.960 0.680 0.000 0.246 394 G C 0.235 175.219 174.900 0.140 0.000 1.131 394 G CA -0.452 44.675 45.100 0.045 0.000 0.773 394 G HN 0.453 nan 8.290 nan 0.000 0.544 395 Q N 0.291 120.109 119.800 0.030 0.000 2.394 395 Q HA 0.195 4.942 4.340 0.680 0.000 0.248 395 Q C 1.625 177.646 176.000 0.034 0.000 0.992 395 Q CA 0.254 56.091 55.803 0.057 0.000 0.888 395 Q CB 1.277 29.959 28.738 -0.094 0.000 1.257 395 Q HN 0.124 nan 8.270 nan 0.000 0.462 396 G N 1.698 110.518 108.800 0.034 0.000 2.527 396 G HA2 -0.089 4.279 3.960 0.680 0.000 0.219 396 G HA3 -0.089 4.279 3.960 0.680 0.000 0.219 396 G C 0.650 175.621 174.900 0.117 0.000 1.117 396 G CA 0.866 46.014 45.100 0.080 0.000 0.759 396 G HN 0.606 nan 8.290 nan 0.000 0.556 397 A N -0.498 122.374 122.820 0.087 0.000 2.622 397 A HA 0.389 5.117 4.320 0.680 0.000 0.283 397 A C 1.933 179.546 177.584 0.048 0.000 0.998 397 A CA 1.037 53.159 52.037 0.142 0.000 0.985 397 A CB -0.410 18.799 19.000 0.347 0.000 1.236 397 A HN 0.236 nan 8.150 nan 0.000 0.559 398 T N 0.278 114.812 114.554 -0.034 0.000 2.680 398 T HA -0.306 4.452 4.350 0.680 0.000 0.268 398 T C 1.512 176.161 174.700 -0.085 0.000 1.033 398 T CA 1.947 63.975 62.100 -0.120 0.000 1.152 398 T CB -0.636 68.158 68.868 -0.123 0.000 0.859 398 T HN 0.626 nan 8.240 nan 0.000 0.452 399 D N 2.021 122.407 120.400 -0.024 0.000 2.117 399 D HA -0.068 4.980 4.640 0.680 0.000 0.198 399 D C 2.224 178.520 176.300 -0.007 0.000 0.982 399 D CA 0.763 54.755 54.000 -0.013 0.000 0.828 399 D CB -0.797 40.017 40.800 0.023 0.000 0.967 399 D HN 0.434 nan 8.370 nan 0.000 0.464 400 L N -0.387 120.840 121.223 0.007 0.000 2.017 400 L HA -0.156 4.591 4.340 0.680 0.000 0.208 400 L C 2.807 179.747 176.870 0.117 0.000 1.073 400 L CA 1.024 55.870 54.840 0.010 0.000 0.745 400 L CB -0.476 41.608 42.059 0.041 0.000 0.894 400 L HN -0.033 nan 8.230 nan 0.000 0.432 401 M N -0.294 119.394 119.600 0.147 0.000 2.149 401 M HA -0.130 4.758 4.480 0.680 0.000 0.261 401 M C 2.367 178.913 176.300 0.410 0.000 1.064 401 M CA 1.942 57.392 55.300 0.251 0.000 1.102 401 M CB -1.926 30.581 32.600 -0.154 0.000 1.369 401 M HN 0.340 nan 8.290 nan 0.000 0.408 402 G N -0.687 108.235 108.800 0.204 0.000 2.402 402 G HA2 -0.163 4.204 3.960 0.680 0.000 0.216 402 G HA3 -0.163 4.204 3.960 0.680 0.000 0.216 402 G C 1.613 176.700 174.900 0.312 0.000 1.162 402 G CA 1.332 46.635 45.100 0.338 0.000 0.777 402 G HN 0.398 nan 8.290 nan 0.000 0.539 403 T N 1.098 115.745 114.554 0.154 0.000 2.737 403 T HA -0.107 4.650 4.350 0.680 0.000 0.265 403 T C 2.233 177.036 174.700 0.172 0.000 1.038 403 T CA 1.219 63.379 62.100 0.101 0.000 1.144 403 T CB -0.255 68.523 68.868 -0.150 0.000 0.866 403 T HN 0.137 nan 8.240 nan 0.000 0.434 404 L N 1.610 122.942 121.223 0.181 0.000 2.017 404 L HA 0.036 4.784 4.340 0.680 0.000 0.208 404 L C 2.213 179.295 176.870 0.353 0.000 1.073 404 L CA 1.644 56.657 54.840 0.288 0.000 0.745 404 L CB -1.322 40.916 42.059 0.299 0.000 0.894 404 L HN 0.274 nan 8.230 nan 0.000 0.432 405 L N -0.996 120.422 121.223 0.325 0.000 2.012 405 L HA -0.207 4.541 4.340 0.680 0.000 0.210 405 L C 2.277 179.288 176.870 0.236 0.000 1.073 405 L CA 1.992 56.947 54.840 0.192 0.000 0.748 405 L CB -0.373 41.714 42.059 0.048 0.000 0.891 405 L HN 0.279 nan 8.230 nan 0.000 0.431 406 M N -1.404 118.361 119.600 0.276 0.000 2.334 406 M HA -0.051 4.837 4.480 0.680 0.000 0.266 406 M C 2.564 179.023 176.300 0.264 0.000 1.082 406 M CA 1.426 56.821 55.300 0.158 0.000 1.141 406 M CB -1.164 31.575 32.600 0.233 0.000 1.380 406 M HN 0.476 nan 8.290 nan 0.000 0.440 407 S N 1.092 117.076 115.700 0.473 0.000 2.368 407 S HA -0.081 4.797 4.470 0.680 0.000 0.225 407 S C 1.808 176.729 174.600 0.535 0.000 1.030 407 S CA 0.921 59.510 58.200 0.648 0.000 0.999 407 S CB 0.026 63.736 63.200 0.850 0.000 0.844 407 S HN 0.288 nan 8.310 nan 0.000 0.459 408 I N 1.497 122.303 120.570 0.393 0.000 2.439 408 I HA -0.047 4.531 4.170 0.680 0.000 0.251 408 I C 2.374 178.528 176.117 0.061 0.000 1.139 408 I CA 1.135 62.521 61.300 0.144 0.000 1.438 408 I CB -2.063 35.910 38.000 -0.045 0.000 1.085 408 I HN 0.317 nan 8.210 nan 0.000 0.427 409 T N 0.471 115.102 114.554 0.128 0.000 2.821 409 T HA -0.164 4.594 4.350 0.680 0.000 0.267 409 T C 1.861 176.621 174.700 0.099 0.000 1.046 409 T CA 1.423 63.577 62.100 0.091 0.000 1.139 409 T CB -0.237 68.619 68.868 -0.020 0.000 0.871 409 T HN 0.169 nan 8.240 nan 0.000 0.454 410 Y N 0.818 121.253 120.300 0.226 0.000 2.220 410 Y HA 0.118 5.073 4.550 0.676 0.000 0.291 410 Y C 2.133 178.119 175.900 0.143 0.000 1.129 410 Y CA -0.091 58.124 58.100 0.192 0.000 1.161 410 Y CB -0.918 37.662 38.460 0.201 0.000 0.997 410 Y HN 0.095 nan 8.280 nan 0.000 0.522 411 L N -0.586 120.815 121.223 0.296 0.000 2.012 411 L HA -0.167 4.581 4.340 0.680 0.000 0.210 411 L C 2.211 179.085 176.870 0.007 0.000 1.073 411 L CA 1.507 56.376 54.840 0.048 0.000 0.748 411 L CB -1.064 40.972 42.059 -0.039 0.000 0.891 411 L HN 0.048 nan 8.230 nan 0.000 0.431 412 V N -0.197 119.744 119.914 0.046 0.000 2.287 412 V HA -0.373 4.154 4.120 0.680 0.000 0.248 412 V C 2.675 178.852 176.094 0.138 0.000 1.053 412 V CA 2.371 64.708 62.300 0.061 0.000 1.027 412 V CB -0.447 31.443 31.823 0.113 0.000 0.646 412 V HN 0.653 nan 8.190 nan 0.000 0.447 413 M N -1.083 118.646 119.600 0.215 0.000 2.346 413 M HA -0.275 4.612 4.480 0.680 0.000 0.263 413 M C 2.128 178.618 176.300 0.317 0.000 1.064 413 M CA 1.793 57.271 55.300 0.297 0.000 1.083 413 M CB -0.079 32.696 32.600 0.293 0.000 1.399 413 M HN 0.427 nan 8.290 nan 0.000 0.435 414 Q N -0.265 119.668 119.800 0.222 0.000 2.123 414 Q HA -0.039 4.709 4.340 0.680 0.000 0.196 414 Q C 2.049 178.136 176.000 0.146 0.000 0.958 414 Q CA 1.044 56.979 55.803 0.219 0.000 0.841 414 Q CB 0.074 28.849 28.738 0.061 0.000 0.915 414 Q HN 0.537 nan 8.270 nan 0.000 0.455 415 L N 0.853 122.095 121.223 0.032 0.000 1.994 415 L HA -0.232 4.515 4.340 0.680 0.000 0.208 415 L C 1.871 178.734 176.870 -0.013 0.000 1.071 415 L CA 1.168 55.982 54.840 -0.043 0.000 0.745 415 L CB -0.684 41.312 42.059 -0.104 0.000 0.892 415 L HN 0.211 nan 8.230 nan 0.000 0.431 416 D N -0.740 119.666 120.400 0.010 0.000 2.133 416 D HA -0.216 4.832 4.640 0.680 0.000 0.192 416 D C 2.058 178.258 176.300 -0.166 0.000 1.001 416 D CA 1.543 55.490 54.000 -0.088 0.000 0.844 416 D CB -0.141 40.607 40.800 -0.086 0.000 0.944 416 D HN 0.437 nan 8.370 nan 0.000 0.447 417 H N -2.112 117.000 119.070 0.070 0.000 2.750 417 H HA 0.179 5.134 4.556 0.665 0.000 0.263 417 H C 1.531 176.902 175.328 0.072 0.000 0.964 417 H CA 1.363 57.454 56.048 0.072 0.000 1.205 417 H CB 1.052 30.869 29.762 0.093 0.000 1.454 417 H HN 0.275 nan 8.280 nan 0.000 0.503 418 T N -3.287 111.394 114.554 0.211 0.000 3.048 418 T HA 0.378 5.136 4.350 0.680 0.000 0.254 418 T C 1.005 175.811 174.700 0.177 0.000 0.942 418 T CA 0.287 62.501 62.100 0.190 0.000 0.931 418 T CB 0.369 69.427 68.868 0.317 0.000 1.220 418 T HN 0.131 nan 8.240 nan 0.000 0.503 419 A N 2.149 125.016 122.820 0.078 0.000 3.355 419 A HA 0.693 5.420 4.320 0.680 0.000 0.290 419 A C -2.207 175.156 177.584 -0.368 0.000 0.973 419 A CA -1.119 50.814 52.037 -0.173 0.000 0.933 419 A CB 0.673 19.544 19.000 -0.216 0.000 1.138 419 A HN 0.216 nan 8.150 nan 0.000 0.490 420 P HA -0.179 nan 4.420 nan 0.000 0.220 420 P C 1.234 178.450 177.300 -0.141 0.000 1.148 420 P CA 1.259 64.293 63.100 -0.110 0.000 0.803 420 P CB -0.184 31.510 31.700 -0.010 0.000 0.782 421 H N -0.972 118.075 119.070 -0.038 0.000 2.545 421 H HA 0.043 4.958 4.556 0.599 0.000 0.282 421 H C 1.492 176.771 175.328 -0.082 0.000 1.020 421 H CA 0.667 56.687 56.048 -0.047 0.000 1.243 421 H CB -1.067 28.682 29.762 -0.021 0.000 1.377 421 H HN 0.212 nan 8.280 nan 0.000 0.581 422 L N 0.509 121.507 121.223 -0.375 0.000 2.375 422 L HA -0.030 4.718 4.340 0.680 0.000 0.215 422 L C 1.968 178.606 176.870 -0.386 0.000 1.108 422 L CA 0.046 54.673 54.840 -0.355 0.000 0.830 422 L CB -0.268 41.522 42.059 -0.448 0.000 0.959 422 L HN 0.136 nan 8.230 nan 0.000 0.457 423 N N 0.678 119.198 118.700 -0.301 0.000 2.132 423 N HA -0.209 4.939 4.740 0.680 0.000 0.191 423 N C 1.965 177.336 175.510 -0.231 0.000 1.015 423 N CA 1.933 54.824 53.050 -0.264 0.000 0.864 423 N CB -0.244 38.139 38.487 -0.174 0.000 1.006 423 N HN 0.396 nan 8.380 nan 0.000 0.430 424 S N 0.409 116.004 115.700 -0.175 0.000 2.537 424 S HA 0.024 4.901 4.470 0.680 0.000 0.240 424 S C 1.475 175.990 174.600 -0.143 0.000 0.981 424 S CA 0.397 58.522 58.200 -0.125 0.000 0.948 424 S CB 0.019 63.173 63.200 -0.076 0.000 0.759 424 S HN 0.233 nan 8.310 nan 0.000 0.531 425 R N 0.638 120.997 120.500 -0.235 0.000 2.300 425 R HA 0.365 5.112 4.340 0.680 0.000 0.199 425 R C 0.089 176.250 176.300 -0.230 0.000 0.920 425 R CA 0.254 56.214 56.100 -0.233 0.000 1.046 425 R CB -0.017 30.069 30.300 -0.356 0.000 0.984 425 R HN 0.521 nan 8.270 nan 0.000 0.493 426 I N 1.023 121.443 120.570 -0.251 0.000 2.460 426 I HA 0.241 4.819 4.170 0.680 0.000 0.277 426 I C 0.470 176.518 176.117 -0.115 0.000 1.057 426 I CA -0.159 61.031 61.300 -0.184 0.000 1.179 426 I CB 1.342 39.200 38.000 -0.236 0.000 1.329 426 I HN -0.155 nan 8.210 nan 0.000 0.478 427 K N 2.558 122.914 120.400 -0.075 0.000 2.424 427 K HA 0.166 4.894 4.320 0.680 0.000 0.198 427 K C -0.276 176.303 176.600 -0.035 0.000 1.190 427 K CA 0.250 56.504 56.287 -0.054 0.000 0.935 427 K CB 0.668 33.141 32.500 -0.045 0.000 1.087 427 K HN 0.700 nan 8.250 nan 0.000 0.524 428 D N -1.918 118.467 120.400 -0.025 0.000 2.798 428 D HA 0.163 5.211 4.640 0.680 0.000 0.308 428 D C 0.672 176.969 176.300 -0.005 0.000 1.187 428 D CA -0.726 53.267 54.000 -0.012 0.000 1.033 428 D CB 0.352 41.148 40.800 -0.006 0.000 1.445 428 D HN -0.369 nan 8.370 nan 0.000 0.550 429 M N -0.566 119.036 119.600 0.004 0.000 2.059 429 M HA 0.052 4.939 4.480 0.680 0.000 0.259 429 M C -1.021 175.289 176.300 0.017 0.000 1.072 429 M CA 1.377 56.684 55.300 0.012 0.000 1.117 429 M CB -2.290 30.322 32.600 0.020 0.000 1.320 429 M HN 0.343 nan 8.290 nan 0.000 0.408 430 P HA -0.130 nan 4.420 nan 0.000 0.215 430 P C 1.713 179.030 177.300 0.029 0.000 1.157 430 P CA 2.316 65.432 63.100 0.026 0.000 0.874 430 P CB -0.266 31.448 31.700 0.023 0.000 0.790 431 S N -0.782 114.930 115.700 0.020 0.000 2.383 431 S HA -0.112 4.766 4.470 0.680 0.000 0.227 431 S C 2.092 176.716 174.600 0.041 0.000 1.026 431 S CA 1.116 59.331 58.200 0.025 0.000 0.981 431 S CB -1.461 61.738 63.200 -0.001 0.000 0.818 431 S HN 0.116 nan 8.310 nan 0.000 0.472 432 A N 1.387 124.218 122.820 0.018 0.000 1.859 432 A HA -0.140 4.588 4.320 0.680 0.000 0.217 432 A C 2.584 180.189 177.584 0.035 0.000 1.198 432 A CA 1.789 53.839 52.037 0.021 0.000 0.629 432 A CB -1.699 17.296 19.000 -0.009 0.000 0.830 432 A HN 0.708 nan 8.150 nan 0.000 0.446 433 C N -1.057 118.251 119.300 0.013 0.000 2.393 433 C HA -0.140 4.727 4.460 0.680 0.000 0.276 433 C C 2.884 177.882 174.990 0.012 0.000 1.215 433 C CA 1.284 60.301 59.018 -0.002 0.000 1.743 433 C CB -1.455 26.302 27.740 0.030 0.000 2.044 433 C HN 0.612 nan 8.230 nan 0.000 0.464 434 R N -0.560 119.973 120.500 0.054 0.000 2.105 434 R HA -0.172 4.576 4.340 0.680 0.000 0.239 434 R C 2.066 178.416 176.300 0.085 0.000 1.135 434 R CA 1.838 57.981 56.100 0.072 0.000 0.967 434 R CB -0.587 29.761 30.300 0.079 0.000 0.861 434 R HN 0.615 nan 8.270 nan 0.000 0.442 435 F N 1.312 121.231 119.950 -0.051 0.000 2.060 435 F HA -0.168 4.753 4.527 0.656 0.000 0.295 435 F C 2.073 177.809 175.800 -0.106 0.000 1.120 435 F CA 1.108 59.066 58.000 -0.070 0.000 1.205 435 F CB -0.653 38.285 39.000 -0.102 0.000 0.986 435 F HN -0.124 nan 8.300 nan 0.000 0.470 436 L N 1.154 122.183 121.223 -0.324 0.000 1.997 436 L HA -0.302 4.446 4.340 0.680 0.000 0.216 436 L C 2.318 178.834 176.870 -0.590 0.000 1.074 436 L CA 2.514 56.984 54.840 -0.616 0.000 0.763 436 L CB -1.325 40.342 42.059 -0.654 0.000 0.890 436 L HN 0.379 nan 8.230 nan 0.000 0.434 437 D N -1.473 118.745 120.400 -0.304 0.000 2.133 437 D HA -0.232 4.815 4.640 0.680 0.000 0.192 437 D C 2.129 178.425 176.300 -0.007 0.000 1.001 437 D CA 1.692 55.672 54.000 -0.033 0.000 0.844 437 D CB 0.106 40.987 40.800 0.135 0.000 0.944 437 D HN 0.456 nan 8.370 nan 0.000 0.447 438 S N -1.547 114.095 115.700 -0.098 0.000 2.368 438 S HA -0.160 4.718 4.470 0.680 0.000 0.224 438 S C 1.944 176.429 174.600 -0.192 0.000 1.029 438 S CA 0.825 58.984 58.200 -0.068 0.000 0.988 438 S CB -0.557 62.630 63.200 -0.023 0.000 0.838 438 S HN 0.484 nan 8.310 nan 0.000 0.462 439 Y N 0.085 120.050 120.300 -0.558 0.000 2.128 439 Y HA -0.205 4.748 4.550 0.673 0.000 0.284 439 Y C 1.953 177.684 175.900 -0.282 0.000 1.154 439 Y CA 1.945 59.712 58.100 -0.555 0.000 1.149 439 Y CB -0.237 37.703 38.460 -0.866 0.000 0.976 439 Y HN 0.362 nan 8.280 nan 0.000 0.505 440 W N 1.048 122.013 121.300 -0.558 0.000 2.425 440 W HA -0.097 4.969 4.660 0.676 0.000 0.277 440 W C 2.050 178.329 176.519 -0.400 0.000 1.231 440 W CA 1.010 57.992 57.345 -0.604 0.000 1.248 440 W CB -0.749 28.347 29.460 -0.607 0.000 1.117 440 W HN 0.315 nan 8.180 nan 0.000 0.568 441 Q N -0.588 119.140 119.800 -0.121 0.000 2.482 441 Q HA 0.117 4.865 4.340 0.680 0.000 0.209 441 Q C 1.626 177.229 176.000 -0.663 0.000 0.961 441 Q CA 0.850 56.463 55.803 -0.317 0.000 0.945 441 Q CB -0.244 28.178 28.738 -0.527 0.000 1.012 441 Q HN 0.319 nan 8.270 nan 0.000 0.515 442 G N 1.208 109.576 108.800 -0.720 0.000 2.153 442 G HA2 -0.241 4.127 3.960 0.680 0.000 0.252 442 G HA3 -0.241 4.127 3.960 0.680 0.000 0.252 442 G C 0.089 174.703 174.900 -0.476 0.000 0.994 442 G CA 0.186 44.658 45.100 -1.046 0.000 0.698 442 G HN 0.438 nan 8.290 nan 0.000 0.521 443 H N 0.876 119.801 119.070 -0.243 0.000 2.708 443 H HA 0.362 5.323 4.556 0.675 0.000 0.309 443 H C 0.821 176.113 175.328 -0.060 0.000 1.084 443 H CA 0.578 56.558 56.048 -0.113 0.000 1.165 443 H CB 0.314 30.043 29.762 -0.055 0.000 1.388 443 H HN 0.554 nan 8.280 nan 0.000 0.553 444 E N -0.161 120.058 120.200 0.033 0.000 2.445 444 E HA 0.063 4.821 4.350 0.680 0.000 0.273 444 E C 0.748 177.385 176.600 0.062 0.000 0.961 444 E CA -0.446 56.000 56.400 0.076 0.000 0.807 444 E CB 1.434 31.195 29.700 0.100 0.000 1.362 444 E HN 0.423 nan 8.360 nan 0.000 0.453 445 E N 0.319 120.577 120.200 0.096 0.000 2.482 445 E HA -0.002 4.756 4.350 0.680 0.000 0.196 445 E C 0.758 177.370 176.600 0.020 0.000 1.047 445 E CA 0.557 57.012 56.400 0.091 0.000 0.869 445 E CB -0.316 29.474 29.700 0.151 0.000 0.836 445 E HN 0.390 nan 8.360 nan 0.000 0.520 446 I N -1.506 119.047 120.570 -0.028 0.000 2.530 446 I HA 0.647 5.225 4.170 0.680 0.000 0.297 446 I C -0.553 175.501 176.117 -0.106 0.000 1.011 446 I CA -1.440 59.720 61.300 -0.233 0.000 1.107 446 I CB 1.852 39.712 38.000 -0.232 0.000 1.285 446 I HN -0.185 nan 8.210 nan 0.000 0.436 447 R N 3.326 123.602 120.500 -0.374 0.000 2.707 447 R HA 0.511 5.259 4.340 0.680 0.000 0.272 447 R C -1.607 174.512 176.300 -0.302 0.000 1.011 447 R CA -0.831 55.114 56.100 -0.258 0.000 0.893 447 R CB 2.479 32.686 30.300 -0.155 0.000 1.233 447 R HN 0.824 nan 8.270 nan 0.000 0.464 448 Q N 2.505 122.235 119.800 -0.116 0.000 2.359 448 Q HA 0.659 5.407 4.340 0.680 0.000 0.274 448 Q C -1.168 174.877 176.000 0.074 0.000 1.074 448 Q CA -0.992 54.786 55.803 -0.042 0.000 0.810 448 Q CB 2.108 30.845 28.738 -0.003 0.000 1.342 448 Q HN 0.647 nan 8.270 nan 0.000 0.427 449 I N 0.117 120.690 120.570 0.004 0.000 2.465 449 I HA 0.845 5.423 4.170 0.680 0.000 0.291 449 I C -0.747 175.229 176.117 -0.235 0.000 1.014 449 I CA -0.666 60.560 61.300 -0.123 0.000 1.093 449 I CB 2.012 39.752 38.000 -0.433 0.000 1.267 449 I HN 0.817 nan 8.210 nan 0.000 0.431 450 S N 4.361 120.169 115.700 0.179 0.000 2.565 450 S HA 0.604 5.482 4.470 0.680 0.000 0.269 450 S C -1.273 173.694 174.600 0.611 0.000 1.153 450 S CA -0.926 57.502 58.200 0.380 0.000 0.835 450 S CB 2.437 65.852 63.200 0.357 0.000 1.122 450 S HN 0.824 nan 8.310 nan 0.000 0.462 451 K N 1.676 122.359 120.400 0.471 0.000 2.668 451 K HA 0.563 5.290 4.320 0.680 0.000 0.246 451 K C 0.104 176.837 176.600 0.222 0.000 0.976 451 K CA -0.102 56.378 56.287 0.321 0.000 0.902 451 K CB 1.078 33.707 32.500 0.215 0.000 1.172 451 K HN 0.918 nan 8.250 nan 0.000 0.452 452 S N 1.720 117.539 115.700 0.198 0.000 4.150 452 S HA -0.295 4.583 4.470 0.680 0.000 0.551 452 S C 0.711 175.442 174.600 0.218 0.000 1.874 452 S CA 1.940 60.215 58.200 0.125 0.000 4.241 452 S CB -1.018 62.138 63.200 -0.073 0.000 0.292 452 S HN 0.977 nan 8.310 nan 0.000 0.469 453 D N 1.956 122.417 120.400 0.102 0.000 2.339 453 D HA 0.291 5.339 4.640 0.680 0.000 0.217 453 D C -0.143 176.317 176.300 0.265 0.000 1.050 453 D CA 0.179 54.319 54.000 0.234 0.000 0.856 453 D CB -0.292 40.617 40.800 0.182 0.000 0.922 453 D HN 0.338 nan 8.370 nan 0.000 0.518 454 D N 0.345 120.884 120.400 0.232 0.000 2.193 454 D HA 0.635 5.683 4.640 0.680 0.000 0.244 454 D C -0.962 175.555 176.300 0.362 0.000 1.064 454 D CA -0.464 53.692 54.000 0.261 0.000 0.845 454 D CB 1.613 42.512 40.800 0.165 0.000 1.148 454 D HN 0.192 nan 8.370 nan 0.000 0.464 455 A N 3.104 126.056 122.820 0.219 0.000 2.605 455 A HA 0.669 5.396 4.320 0.680 0.000 0.294 455 A C -1.289 176.171 177.584 -0.208 0.000 1.062 455 A CA -0.698 51.289 52.037 -0.083 0.000 0.682 455 A CB 1.310 20.049 19.000 -0.435 0.000 1.278 455 A HN 0.519 nan 8.150 nan 0.000 0.410 456 M N 1.846 121.230 119.600 -0.361 0.000 2.326 456 M HA 0.499 5.387 4.480 0.680 0.000 0.306 456 M C -1.376 174.880 176.300 -0.073 0.000 1.054 456 M CA -0.284 54.935 55.300 -0.136 0.000 0.922 456 M CB 1.841 34.405 32.600 -0.059 0.000 1.632 456 M HN 0.607 nan 8.290 nan 0.000 0.436 457 L N 1.927 123.062 121.223 -0.145 0.000 2.325 457 L HA 0.897 5.645 4.340 0.680 0.000 0.278 457 L C 0.286 176.662 176.870 -0.823 0.000 1.023 457 L CA -0.774 53.791 54.840 -0.458 0.000 0.811 457 L CB 1.796 43.603 42.059 -0.420 0.000 1.249 457 L HN 0.798 nan 8.230 nan 0.000 0.431 458 G N 1.503 109.341 108.800 -1.604 0.000 2.571 458 G HA2 0.570 4.938 3.960 0.680 0.000 0.304 458 G HA3 0.570 4.938 3.960 0.680 0.000 0.304 458 G C -1.902 172.160 174.900 -1.396 0.000 1.314 458 G CA -0.348 43.561 45.100 -1.984 0.000 0.975 458 G HN 0.448 nan 8.290 nan 0.000 0.485 459 W N 1.795 122.777 121.300 -0.531 0.000 2.656 459 W HA 0.432 5.150 4.660 0.096 0.000 0.327 459 W C 0.386 176.832 176.519 -0.121 0.000 1.041 459 W CA -0.642 56.558 57.345 -0.241 0.000 1.229 459 W CB 2.357 31.756 29.460 -0.101 0.000 1.397 459 W HN 0.733 nan 8.180 nan 0.000 0.479 460 T N -0.236 114.396 114.554 0.130 0.000 2.881 460 T HA 0.323 5.081 4.350 0.680 0.000 0.278 460 T C 0.350 175.161 174.700 0.186 0.000 0.982 460 T CA -0.840 61.363 62.100 0.171 0.000 0.989 460 T CB 1.594 70.549 68.868 0.146 0.000 1.058 460 T HN 0.112 nan 8.240 nan 0.000 0.529 461 K N 1.251 121.747 120.400 0.161 0.000 2.504 461 K HA 0.404 5.132 4.320 0.680 0.000 0.278 461 K C 0.637 177.308 176.600 0.118 0.000 1.025 461 K CA 1.023 57.388 56.287 0.130 0.000 1.093 461 K CB -0.042 32.520 32.500 0.104 0.000 0.873 461 K HN 1.028 nan 8.250 nan 0.000 0.483 462 G N 1.821 110.686 108.800 0.108 0.000 2.327 462 G HA2 0.006 4.374 3.960 0.680 0.000 0.291 462 G HA3 0.006 4.374 3.960 0.680 0.000 0.291 462 G C 0.317 175.263 174.900 0.076 0.000 1.290 462 G CA -0.793 44.362 45.100 0.092 0.000 0.857 462 G HN 0.495 nan 8.290 nan 0.000 0.520 463 R N -0.392 120.127 120.500 0.032 0.000 2.070 463 R HA -0.033 4.714 4.340 0.680 0.000 0.233 463 R C 3.056 179.425 176.300 0.114 0.000 1.137 463 R CA 1.999 58.080 56.100 -0.032 0.000 0.945 463 R CB -0.593 29.500 30.300 -0.346 0.000 0.845 463 R HN 0.646 nan 8.270 nan 0.000 0.430 464 A N 1.450 124.448 122.820 0.296 0.000 2.032 464 A HA -0.194 4.533 4.320 0.680 0.000 0.221 464 A C 2.034 179.728 177.584 0.183 0.000 1.165 464 A CA 1.193 53.439 52.037 0.348 0.000 0.645 464 A CB -0.541 18.739 19.000 0.468 0.000 0.807 464 A HN 0.284 nan 8.150 nan 0.000 0.453 465 L N -0.231 121.093 121.223 0.168 0.000 2.081 465 L HA -0.137 4.610 4.340 0.680 0.000 0.212 465 L C 2.370 179.252 176.870 0.021 0.000 1.080 465 L CA 2.394 57.291 54.840 0.097 0.000 0.754 465 L CB -0.773 41.375 42.059 0.149 0.000 0.893 465 L HN 0.231 nan 8.230 nan 0.000 0.433 466 V N -0.379 119.553 119.914 0.031 0.000 2.719 466 V HA 0.011 4.539 4.120 0.680 0.000 0.252 466 V C 2.339 178.421 176.094 -0.021 0.000 1.065 466 V CA 1.398 63.710 62.300 0.019 0.000 1.086 466 V CB -0.502 31.308 31.823 -0.022 0.000 0.700 466 V HN 0.573 nan 8.190 nan 0.000 0.467 467 G N -0.235 108.535 108.800 -0.049 0.000 2.422 467 G HA2 -0.112 4.256 3.960 0.680 0.000 0.218 467 G HA3 -0.112 4.256 3.960 0.680 0.000 0.218 467 G C 1.535 176.303 174.900 -0.219 0.000 1.140 467 G CA 0.742 45.810 45.100 -0.053 0.000 0.775 467 G HN 0.652 nan 8.290 nan 0.000 0.545 468 G N -0.104 108.343 108.800 -0.589 0.000 2.418 468 G HA2 -0.211 4.156 3.960 0.680 0.000 0.217 468 G HA3 -0.211 4.156 3.960 0.680 0.000 0.217 468 G C 1.588 176.088 174.900 -0.667 0.000 1.158 468 G CA 0.923 45.252 45.100 -1.285 0.000 0.771 468 G HN 0.548 nan 8.290 nan 0.000 0.545 469 H N 0.037 118.885 119.070 -0.369 0.000 2.423 469 H HA 0.077 5.031 4.556 0.663 0.000 0.297 469 H C 2.815 178.078 175.328 -0.107 0.000 1.075 469 H CA 0.829 56.762 56.048 -0.191 0.000 1.342 469 H CB 0.189 29.841 29.762 -0.184 0.000 1.395 469 H HN 0.266 nan 8.280 nan 0.000 0.530 470 R N 0.347 120.854 120.500 0.012 0.000 2.066 470 R HA -0.104 4.644 4.340 0.680 0.000 0.232 470 R C 2.380 178.699 176.300 0.031 0.000 1.131 470 R CA 0.634 56.748 56.100 0.025 0.000 0.955 470 R CB -0.388 29.929 30.300 0.029 0.000 0.851 470 R HN 0.139 nan 8.270 nan 0.000 0.432 471 L N 0.610 121.825 121.223 -0.013 0.000 1.971 471 L HA -0.216 4.531 4.340 0.680 0.000 0.215 471 L C 2.080 178.978 176.870 0.046 0.000 1.072 471 L CA 1.782 56.601 54.840 -0.035 0.000 0.758 471 L CB -0.990 41.031 42.059 -0.065 0.000 0.889 471 L HN 0.045 nan 8.230 nan 0.000 0.433 472 F N 0.880 120.752 119.950 -0.129 0.000 2.087 472 F HA -0.282 4.644 4.527 0.664 0.000 0.299 472 F C 2.564 178.351 175.800 -0.022 0.000 1.100 472 F CA 2.107 60.068 58.000 -0.065 0.000 1.226 472 F CB -0.724 38.204 39.000 -0.120 0.000 0.983 472 F HN 0.360 nan 8.300 nan 0.000 0.479 473 E N 0.189 120.525 120.200 0.227 0.000 2.077 473 E HA -0.274 4.483 4.350 0.680 0.000 0.193 473 E C 2.301 178.944 176.600 0.072 0.000 0.989 473 E CA 1.750 58.220 56.400 0.116 0.000 0.800 473 E CB -0.582 29.153 29.700 0.059 0.000 0.746 473 E HN 0.535 nan 8.360 nan 0.000 0.452 474 M N -0.626 119.012 119.600 0.063 0.000 2.358 474 M HA -0.100 4.788 4.480 0.680 0.000 0.264 474 M C 1.188 177.509 176.300 0.035 0.000 1.064 474 M CA 1.290 56.611 55.300 0.034 0.000 1.093 474 M CB 0.068 32.675 32.600 0.011 0.000 1.401 474 M HN 0.164 nan 8.290 nan 0.000 0.440 475 L N -0.153 121.104 121.223 0.057 0.000 2.145 475 L HA -0.037 4.711 4.340 0.680 0.000 0.201 475 L C 2.625 179.468 176.870 -0.047 0.000 1.075 475 L CA 0.920 55.796 54.840 0.060 0.000 0.773 475 L CB -0.781 41.331 42.059 0.088 0.000 0.936 475 L HN 0.299 nan 8.230 nan 0.000 0.451 476 K N 0.770 121.082 120.400 -0.147 0.000 2.032 476 K HA -0.232 4.496 4.320 0.680 0.000 0.209 476 K C 1.927 178.431 176.600 -0.159 0.000 1.048 476 K CA 1.779 57.849 56.287 -0.362 0.000 0.927 476 K CB 0.017 32.240 32.500 -0.463 0.000 0.712 476 K HN 0.320 nan 8.250 nan 0.000 0.441 477 E N -0.639 119.514 120.200 -0.078 0.000 2.072 477 E HA -0.083 4.675 4.350 0.680 0.000 0.191 477 E C 0.638 177.247 176.600 0.015 0.000 0.985 477 E CA 0.649 57.032 56.400 -0.028 0.000 0.801 477 E CB -0.163 29.530 29.700 -0.012 0.000 0.750 477 E HN 0.594 nan 8.360 nan 0.000 0.452 478 G N 1.691 110.512 108.800 0.035 0.000 2.386 478 G HA2 -0.322 4.046 3.960 0.680 0.000 0.295 478 G HA3 -0.322 4.046 3.960 0.680 0.000 0.295 478 G C 0.361 175.295 174.900 0.056 0.000 0.979 478 G CA 1.108 46.250 45.100 0.070 0.000 1.193 478 G HN 0.237 nan 8.290 nan 0.000 0.508 479 K N -1.514 118.912 120.400 0.043 0.000 2.391 479 K HA 0.345 5.073 4.320 0.680 0.000 0.197 479 K C 0.696 177.318 176.600 0.038 0.000 1.087 479 K CA 0.397 56.707 56.287 0.037 0.000 1.012 479 K CB 1.229 33.746 32.500 0.029 0.000 0.925 479 K HN 0.333 nan 8.250 nan 0.000 0.547 480 V N 1.692 121.631 119.914 0.042 0.000 2.680 480 V HA 0.249 4.777 4.120 0.680 0.000 0.309 480 V C -0.736 175.385 176.094 0.046 0.000 1.052 480 V CA -1.336 60.990 62.300 0.045 0.000 0.908 480 V CB 1.675 33.531 31.823 0.055 0.000 1.001 480 V HN 0.094 nan 8.190 nan 0.000 0.431 481 N N 5.299 124.025 118.700 0.042 0.000 2.408 481 N HA 0.316 5.464 4.740 0.680 0.000 0.257 481 N C -1.261 174.283 175.510 0.058 0.000 1.064 481 N CA -1.939 51.135 53.050 0.040 0.000 0.952 481 N CB 1.574 40.072 38.487 0.019 0.000 1.093 481 N HN 0.413 nan 8.380 nan 0.000 0.490 482 P HA 0.007 nan 4.420 nan 0.000 0.234 482 P C -0.214 177.185 177.300 0.165 0.000 1.167 482 P CA 0.421 63.554 63.100 0.054 0.000 0.763 482 P CB 0.546 32.169 31.700 -0.127 0.000 0.835 483 S N -0.280 115.477 115.700 0.096 0.000 2.599 483 S HA 0.533 5.410 4.470 0.680 0.000 0.294 483 S C -2.160 172.417 174.600 -0.039 0.000 1.094 483 S CA -1.608 56.634 58.200 0.070 0.000 0.931 483 S CB 1.746 65.018 63.200 0.120 0.000 1.093 483 S HN -0.197 nan 8.310 nan 0.000 0.488 484 P HA 0.164 nan 4.420 nan 0.000 0.234 484 P C 0.114 177.238 177.300 -0.293 0.000 1.175 484 P CA 0.618 63.504 63.100 -0.357 0.000 0.801 484 P CB 0.120 31.401 31.700 -0.700 0.000 0.891 485 Y N -1.707 118.648 120.300 0.093 0.000 2.343 485 Y HA 0.251 5.206 4.550 0.675 0.000 0.294 485 Y C 1.467 177.361 175.900 -0.010 0.000 1.122 485 Y CA 0.640 58.809 58.100 0.115 0.000 1.173 485 Y CB -0.009 38.561 38.460 0.184 0.000 1.077 485 Y HN -0.160 nan 8.280 nan 0.000 0.542 486 M N -0.696 118.946 119.600 0.070 0.000 2.716 486 M HA 0.291 5.178 4.480 0.680 0.000 0.278 486 M C -0.964 175.260 176.300 -0.127 0.000 1.281 486 M CA -0.883 54.358 55.300 -0.099 0.000 0.814 486 M CB 1.893 34.453 32.600 -0.067 0.000 1.719 486 M HN -0.228 nan 8.290 nan 0.000 0.457 487 K N 1.952 122.212 120.400 -0.234 0.000 2.231 487 K HA 0.466 5.194 4.320 0.680 0.000 0.275 487 K C -0.585 176.001 176.600 -0.023 0.000 1.105 487 K CA -0.245 55.957 56.287 -0.141 0.000 0.931 487 K CB 0.336 32.704 32.500 -0.219 0.000 1.296 487 K HN 0.398 nan 8.250 nan 0.000 0.446 488 I N 1.235 121.826 120.570 0.036 0.000 2.797 488 I HA 0.307 4.885 4.170 0.680 0.000 0.310 488 I C 0.882 177.072 176.117 0.122 0.000 0.990 488 I CA -0.261 61.104 61.300 0.109 0.000 1.228 488 I CB 1.276 39.369 38.000 0.155 0.000 1.406 488 I HN 0.612 nan 8.210 nan 0.000 0.534 489 S N 1.707 117.505 115.700 0.164 0.000 2.669 489 S HA 0.411 5.289 4.470 0.680 0.000 0.266 489 S C -1.237 173.505 174.600 0.236 0.000 1.149 489 S CA -0.955 57.363 58.200 0.197 0.000 0.842 489 S CB 1.121 64.419 63.200 0.164 0.000 1.160 489 S HN 0.548 nan 8.310 nan 0.000 0.487 490 Y N 0.891 121.244 120.300 0.089 0.000 2.323 490 Y HA 0.692 5.650 4.550 0.680 0.000 0.331 490 Y C -0.038 175.935 175.900 0.121 0.000 1.092 490 Y CA -0.916 57.231 58.100 0.078 0.000 1.150 490 Y CB 0.613 39.110 38.460 0.061 0.000 1.200 490 Y HN 0.712 nan 8.280 nan 0.000 0.472 491 Q N 3.711 123.487 119.800 -0.040 0.000 2.311 491 Q HA 0.007 4.754 4.340 0.680 0.000 0.272 491 Q C -0.479 175.422 176.000 -0.164 0.000 1.012 491 Q CA -0.021 55.733 55.803 -0.081 0.000 0.891 491 Q CB 0.360 29.127 28.738 0.048 0.000 1.201 491 Q HN 0.750 nan 8.270 nan 0.000 0.391 492 H N 1.904 120.798 119.070 -0.294 0.000 3.004 492 H HA 0.157 5.121 4.556 0.679 0.000 0.267 492 H C 0.228 175.558 175.328 0.003 0.000 1.165 492 H CA 0.722 56.664 56.048 -0.176 0.000 1.450 492 H CB 0.079 29.740 29.762 -0.169 0.000 1.488 492 H HN 0.970 nan 8.280 nan 0.000 0.478 493 G N 4.007 112.744 108.800 -0.106 0.000 2.738 493 G HA2 -0.192 4.176 3.960 0.680 0.000 0.262 493 G HA3 -0.192 4.176 3.960 0.680 0.000 0.262 493 G C 0.481 175.419 174.900 0.064 0.000 1.032 493 G CA -0.161 44.933 45.100 -0.010 0.000 1.278 493 G HN 0.922 nan 8.290 nan 0.000 0.537 494 G N 0.058 108.938 108.800 0.133 0.000 2.441 494 G HA2 0.811 5.179 3.960 0.680 0.000 0.243 494 G HA3 0.811 5.179 3.960 0.680 0.000 0.243 494 G C 0.401 175.373 174.900 0.120 0.000 1.281 494 G CA 0.640 45.825 45.100 0.142 0.000 0.854 494 G HN 2.041 nan 8.290 nan 0.000 0.560 495 A N 1.272 124.180 122.820 0.147 0.000 2.609 495 A HA 0.736 5.464 4.320 0.680 0.000 0.291 495 A C -1.801 175.949 177.584 0.277 0.000 1.096 495 A CA -0.654 51.503 52.037 0.200 0.000 0.684 495 A CB 1.747 20.829 19.000 0.138 0.000 1.282 495 A HN 1.056 nan 8.150 nan 0.000 0.412 496 F N 1.722 121.738 119.950 0.110 0.000 2.507 496 F HA 0.587 5.528 4.527 0.690 0.000 0.328 496 F C -0.023 175.702 175.800 -0.125 0.000 1.136 496 F CA -1.207 56.779 58.000 -0.022 0.000 0.930 496 F CB 1.283 40.245 39.000 -0.063 0.000 1.166 496 F HN 0.426 nan 8.300 nan 0.000 0.436 497 L N 6.132 126.928 121.223 -0.711 0.000 3.854 497 L HA -0.138 4.610 4.340 0.680 0.000 0.460 497 L C 1.200 177.866 176.870 -0.340 0.000 1.228 497 L CA 1.312 55.781 54.840 -0.617 0.000 0.760 497 L CB -1.683 39.818 42.059 -0.930 0.000 1.597 497 L HN 1.172 nan 8.230 nan 0.000 0.852 498 G N -1.251 107.450 108.800 -0.164 0.000 2.155 498 G HA2 -0.262 4.106 3.960 0.680 0.000 0.257 498 G HA3 -0.262 4.106 3.960 0.680 0.000 0.257 498 G C 0.194 175.069 174.900 -0.042 0.000 0.983 498 G CA 0.407 45.462 45.100 -0.076 0.000 0.676 498 G HN 0.522 nan 8.290 nan 0.000 0.528 499 D N -0.006 120.372 120.400 -0.036 0.000 2.375 499 D HA 0.530 5.577 4.640 0.680 0.000 0.247 499 D C 0.589 177.019 176.300 0.217 0.000 1.061 499 D CA -0.422 53.615 54.000 0.061 0.000 0.834 499 D CB 1.554 42.336 40.800 -0.030 0.000 1.247 499 D HN 0.190 nan 8.370 nan 0.000 0.489 500 I N 1.695 122.379 120.570 0.190 0.000 2.532 500 I HA 0.088 4.666 4.170 0.680 0.000 0.292 500 I C -0.033 176.131 176.117 0.078 0.000 1.014 500 I CA -0.799 60.585 61.300 0.139 0.000 1.340 500 I CB 1.299 39.339 38.000 0.067 0.000 1.422 500 I HN 0.070 nan 8.210 nan 0.000 0.528 501 L N 7.176 128.334 121.223 -0.108 0.000 2.261 501 L HA 0.269 5.017 4.340 0.680 0.000 0.289 501 L C -0.607 175.997 176.870 -0.443 0.000 1.059 501 L CA -0.275 54.249 54.840 -0.527 0.000 0.816 501 L CB 0.813 42.474 42.059 -0.664 0.000 1.191 501 L HN 0.351 nan 8.230 nan 0.000 0.431 502 L N 6.837 127.836 121.223 -0.373 0.000 2.302 502 L HA 0.345 5.092 4.340 0.680 0.000 0.285 502 L C -0.904 175.867 176.870 -0.164 0.000 1.090 502 L CA 0.039 54.772 54.840 -0.178 0.000 0.866 502 L CB -0.350 41.665 42.059 -0.074 0.000 1.244 502 L HN 0.402 nan 8.230 nan 0.000 0.435 503 Y N 2.792 123.112 120.300 0.033 0.000 2.346 503 Y HA 0.253 5.209 4.550 0.676 0.000 0.330 503 Y C 0.889 176.838 175.900 0.081 0.000 1.178 503 Y CA -0.492 57.638 58.100 0.051 0.000 1.331 503 Y CB 0.542 39.051 38.460 0.082 0.000 1.253 503 Y HN 0.689 nan 8.280 nan 0.000 0.529 504 D N -0.813 119.720 120.400 0.222 0.000 2.446 504 D HA 0.082 5.129 4.640 0.680 0.000 0.288 504 D C 1.196 177.556 176.300 0.101 0.000 1.195 504 D CA 0.169 54.256 54.000 0.144 0.000 1.095 504 D CB -0.478 40.379 40.800 0.096 0.000 1.153 504 D HN 0.396 nan 8.370 nan 0.000 0.568 505 S N -0.987 114.745 115.700 0.054 0.000 2.383 505 S HA -0.138 4.740 4.470 0.680 0.000 0.227 505 S C 1.817 176.412 174.600 -0.009 0.000 1.026 505 S CA 0.379 58.581 58.200 0.003 0.000 0.981 505 S CB -0.373 62.828 63.200 0.002 0.000 0.818 505 S HN 0.290 nan 8.310 nan 0.000 0.472 506 R N 1.219 121.729 120.500 0.017 0.000 2.117 506 R HA 0.052 4.799 4.340 0.680 0.000 0.243 506 R C 0.218 176.506 176.300 -0.020 0.000 1.143 506 R CA 0.693 56.797 56.100 0.008 0.000 0.968 506 R CB -0.839 29.483 30.300 0.037 0.000 0.863 506 R HN 0.385 nan 8.270 nan 0.000 0.444 507 R N 1.032 121.529 120.500 -0.006 0.000 3.209 507 R HA -0.149 4.598 4.340 0.680 0.000 0.252 507 R C -0.895 175.340 176.300 -0.107 0.000 0.958 507 R CA 0.638 56.663 56.100 -0.126 0.000 0.651 507 R CB -2.254 27.909 30.300 -0.230 0.000 1.142 507 R HN 0.504 nan 8.270 nan 0.000 0.441 508 E N -0.354 119.909 120.200 0.104 0.000 2.314 508 E HA 0.276 5.033 4.350 0.680 0.000 0.272 508 E C -2.078 174.703 176.600 0.300 0.000 0.884 508 E CA -2.151 54.343 56.400 0.158 0.000 0.753 508 E CB 1.933 31.698 29.700 0.108 0.000 1.213 508 E HN -0.220 nan 8.360 nan 0.000 0.432 509 P HA -0.032 nan 4.420 nan 0.000 0.239 509 P C 0.847 178.230 177.300 0.139 0.000 1.184 509 P CA 0.603 63.863 63.100 0.266 0.000 0.760 509 P CB 0.260 32.172 31.700 0.354 0.000 0.884 510 G N -0.410 108.472 108.800 0.136 0.000 2.595 510 G HA2 -0.078 4.290 3.960 0.680 0.000 0.213 510 G HA3 -0.078 4.290 3.960 0.680 0.000 0.213 510 G C 1.059 175.995 174.900 0.061 0.000 1.141 510 G CA 0.376 45.531 45.100 0.091 0.000 0.806 510 G HN 0.379 nan 8.290 nan 0.000 0.530 511 S N -0.550 115.195 115.700 0.075 0.000 2.664 511 S HA 0.735 5.612 4.470 0.680 0.000 0.245 511 S C 0.496 175.124 174.600 0.047 0.000 1.019 511 S CA 0.151 58.385 58.200 0.057 0.000 0.996 511 S CB 0.641 63.881 63.200 0.067 0.000 0.878 511 S HN 0.488 nan 8.310 nan 0.000 0.493 512 A N 1.741 124.566 122.820 0.008 0.000 2.313 512 A HA 0.944 5.671 4.320 0.680 0.000 0.323 512 A C -0.229 177.253 177.584 -0.169 0.000 1.133 512 A CA -1.143 50.838 52.037 -0.092 0.000 0.847 512 A CB 0.823 19.689 19.000 -0.224 0.000 1.308 512 A HN 0.826 nan 8.150 nan 0.000 0.475 513 I N -3.339 117.095 120.570 -0.227 0.000 3.074 513 I HA 0.665 5.243 4.170 0.680 0.000 0.310 513 I C -1.396 174.543 176.117 -0.298 0.000 1.153 513 I CA -0.878 60.306 61.300 -0.193 0.000 0.993 513 I CB 2.059 40.023 38.000 -0.061 0.000 1.237 513 I HN 0.468 nan 8.210 nan 0.000 0.443 514 F N 3.064 122.966 119.950 -0.080 0.000 2.410 514 F HA 0.613 5.546 4.527 0.676 0.000 0.349 514 F C 0.323 176.092 175.800 -0.052 0.000 1.117 514 F CA -0.567 57.390 58.000 -0.071 0.000 1.104 514 F CB 1.915 40.875 39.000 -0.067 0.000 1.122 514 F HN 0.361 nan 8.300 nan 0.000 0.483 515 V N 0.822 120.823 119.914 0.145 0.000 3.046 515 V HA 0.883 5.411 4.120 0.680 0.000 0.316 515 V C 0.216 176.362 176.094 0.087 0.000 1.104 515 V CA -1.120 61.231 62.300 0.085 0.000 1.006 515 V CB 1.143 33.000 31.823 0.057 0.000 1.058 515 V HN 0.793 nan 8.190 nan 0.000 0.440 516 G N 0.829 109.663 108.800 0.056 0.000 2.491 516 G HA2 0.180 4.548 3.960 0.680 0.000 0.242 516 G HA3 0.180 4.548 3.960 0.680 0.000 0.242 516 G C -0.018 174.988 174.900 0.177 0.000 1.266 516 G CA -0.250 44.892 45.100 0.070 0.000 0.844 516 G HN 0.922 nan 8.290 nan 0.000 0.571 517 N N 1.491 120.310 118.700 0.197 0.000 2.405 517 N HA 0.013 5.161 4.740 0.680 0.000 0.260 517 N C 1.238 176.902 175.510 0.257 0.000 1.152 517 N CA -0.645 52.515 53.050 0.184 0.000 0.948 517 N CB 0.932 39.498 38.487 0.131 0.000 1.111 517 N HN 0.243 nan 8.380 nan 0.000 0.485 518 I N 4.349 125.031 120.570 0.187 0.000 2.361 518 I HA -0.162 4.416 4.170 0.680 0.000 0.251 518 I C 1.706 177.887 176.117 0.106 0.000 1.133 518 I CA 1.058 62.448 61.300 0.149 0.000 1.413 518 I CB -0.478 37.604 38.000 0.136 0.000 1.073 518 I HN 0.639 nan 8.210 nan 0.000 0.424 519 N N -0.891 117.874 118.700 0.109 0.000 2.309 519 N HA -0.128 5.019 4.740 0.680 0.000 0.182 519 N C 1.850 177.407 175.510 0.079 0.000 1.018 519 N CA 1.151 54.255 53.050 0.091 0.000 0.876 519 N CB 0.073 38.523 38.487 -0.061 0.000 0.972 519 N HN 0.204 nan 8.380 nan 0.000 0.434 520 S N -0.137 115.621 115.700 0.098 0.000 2.453 520 S HA -0.017 4.860 4.470 0.680 0.000 0.231 520 S C 1.704 176.337 174.600 0.054 0.000 1.005 520 S CA 0.396 58.673 58.200 0.129 0.000 0.949 520 S CB -0.081 63.251 63.200 0.220 0.000 0.774 520 S HN 0.391 nan 8.310 nan 0.000 0.510 521 M N 1.028 120.488 119.600 -0.233 0.000 2.077 521 M HA -0.048 4.840 4.480 0.680 0.000 0.261 521 M C 1.585 177.754 176.300 -0.217 0.000 1.070 521 M CA 1.530 56.467 55.300 -0.605 0.000 1.125 521 M CB -0.275 31.681 32.600 -1.074 0.000 1.339 521 M HN 0.260 nan 8.290 nan 0.000 0.409 522 L N 0.485 121.667 121.223 -0.069 0.000 2.261 522 L HA -0.246 4.502 4.340 0.680 0.000 0.216 522 L C 1.903 178.841 176.870 0.112 0.000 1.114 522 L CA 0.694 55.582 54.840 0.081 0.000 0.777 522 L CB -0.894 41.304 42.059 0.231 0.000 0.910 522 L HN 0.387 nan 8.230 nan 0.000 0.440 523 N N -0.273 118.478 118.700 0.085 0.000 2.173 523 N HA -0.104 5.044 4.740 0.680 0.000 0.184 523 N C 1.572 177.135 175.510 0.089 0.000 1.025 523 N CA 0.903 54.019 53.050 0.110 0.000 0.852 523 N CB -0.384 38.159 38.487 0.094 0.000 0.998 523 N HN 0.221 nan 8.380 nan 0.000 0.427 524 N N 1.097 119.836 118.700 0.065 0.000 2.453 524 N HA -0.060 5.088 4.740 0.680 0.000 0.183 524 N C 1.231 176.777 175.510 0.061 0.000 1.041 524 N CA 0.676 53.776 53.050 0.084 0.000 0.900 524 N CB 0.101 38.670 38.487 0.136 0.000 0.961 524 N HN 0.485 nan 8.380 nan 0.000 0.443 525 Q N -1.964 117.797 119.800 -0.065 0.000 2.402 525 Q HA 0.229 4.976 4.340 0.680 0.000 0.231 525 Q C 0.463 176.360 176.000 -0.173 0.000 0.888 525 Q CA 0.330 56.016 55.803 -0.196 0.000 0.938 525 Q CB 0.557 28.949 28.738 -0.577 0.000 1.086 525 Q HN 0.356 nan 8.270 nan 0.000 0.543 526 F N -1.559 118.650 119.950 0.432 0.000 2.767 526 F HA 0.283 5.218 4.527 0.680 0.000 0.323 526 F C 0.677 176.740 175.800 0.439 0.000 1.091 526 F CA -0.301 58.041 58.000 0.570 0.000 1.192 526 F CB 1.417 40.744 39.000 0.545 0.000 1.056 526 F HN -0.271 nan 8.300 nan 0.000 0.571 527 S N 1.734 117.661 115.700 0.378 0.000 2.474 527 S HA 0.232 5.110 4.470 0.680 0.000 0.224 527 S C -2.488 172.200 174.600 0.147 0.000 1.209 527 S CA -0.950 57.416 58.200 0.277 0.000 1.212 527 S CB 0.123 63.478 63.200 0.259 0.000 1.137 527 S HN -0.111 nan 8.310 nan 0.000 0.446 528 P HA 0.088 nan 4.420 nan 0.000 0.271 528 P C 0.623 177.916 177.300 -0.011 0.000 1.233 528 P CA -0.075 63.043 63.100 0.030 0.000 0.789 528 P CB 1.037 32.713 31.700 -0.039 0.000 0.951 529 E N 0.034 120.197 120.200 -0.062 0.000 2.230 529 E HA -0.054 4.704 4.350 0.680 0.000 0.192 529 E C -0.155 176.175 176.600 -0.450 0.000 0.987 529 E CA 0.807 57.047 56.400 -0.266 0.000 0.841 529 E CB 0.170 29.664 29.700 -0.343 0.000 0.783 529 E HN 0.476 nan 8.360 nan 0.000 0.481 530 Y N -1.371 118.913 120.300 -0.027 0.000 2.605 530 Y HA 0.498 5.456 4.550 0.679 0.000 0.343 530 Y C 0.725 176.588 175.900 -0.063 0.000 1.036 530 Y CA -0.893 57.180 58.100 -0.044 0.000 1.065 530 Y CB 1.382 39.817 38.460 -0.042 0.000 1.288 530 Y HN -0.161 nan 8.280 nan 0.000 0.481 531 G N -0.130 108.735 108.800 0.108 0.000 2.621 531 G HA2 0.349 4.717 3.960 0.680 0.000 0.271 531 G HA3 0.349 4.717 3.960 0.680 0.000 0.271 531 G C 0.758 175.656 174.900 -0.002 0.000 1.236 531 G CA -0.217 44.893 45.100 0.017 0.000 0.958 531 G HN 0.728 nan 8.290 nan 0.000 0.512 532 V N -2.602 117.295 119.914 -0.030 0.000 3.141 532 V HA 0.015 4.543 4.120 0.680 0.000 0.265 532 V C 1.026 177.087 176.094 -0.055 0.000 1.126 532 V CA 1.363 63.640 62.300 -0.038 0.000 1.141 532 V CB -1.457 30.359 31.823 -0.012 0.000 0.743 532 V HN 0.788 nan 8.190 nan 0.000 0.492 533 Q N 0.879 120.652 119.800 -0.046 0.000 2.435 533 Q HA -0.249 4.499 4.340 0.680 0.000 0.312 533 Q C 1.308 177.276 176.000 -0.053 0.000 1.333 533 Q CA 0.743 56.514 55.803 -0.054 0.000 0.883 533 Q CB -2.245 26.444 28.738 -0.081 0.000 1.170 533 Q HN 0.972 nan 8.270 nan 0.000 0.443 534 S N -1.865 113.813 115.700 -0.037 0.000 2.584 534 S HA -0.013 4.865 4.470 0.680 0.000 0.240 534 S C 1.562 176.146 174.600 -0.028 0.000 0.975 534 S CA 0.609 58.790 58.200 -0.031 0.000 0.949 534 S CB 0.146 63.337 63.200 -0.016 0.000 0.761 534 S HN 0.635 nan 8.310 nan 0.000 0.536 535 G N 0.587 109.369 108.800 -0.031 0.000 2.777 535 G HA2 0.271 4.639 3.960 0.680 0.000 0.211 535 G HA3 0.271 4.639 3.960 0.680 0.000 0.211 535 G C 0.187 175.069 174.900 -0.031 0.000 1.149 535 G CA -0.136 44.948 45.100 -0.027 0.000 0.785 535 G HN 0.450 nan 8.290 nan 0.000 0.536 536 V N 2.223 122.110 119.914 -0.044 0.000 2.348 536 V HA 0.250 4.778 4.120 0.680 0.000 0.270 536 V C 1.232 177.304 176.094 -0.036 0.000 1.037 536 V CA -0.870 61.402 62.300 -0.047 0.000 0.872 536 V CB 1.278 33.058 31.823 -0.071 0.000 1.002 536 V HN 0.172 nan 8.190 nan 0.000 0.464 537 R N 2.051 122.541 120.500 -0.016 0.000 2.088 537 R HA -0.081 4.667 4.340 0.680 0.000 0.232 537 R C 0.850 177.176 176.300 0.045 0.000 1.136 537 R CA 1.043 57.150 56.100 0.011 0.000 0.926 537 R CB -0.269 30.037 30.300 0.009 0.000 0.837 537 R HN 0.731 nan 8.270 nan 0.000 0.429 538 D N 1.256 121.681 120.400 0.041 0.000 2.348 538 D HA 0.001 5.049 4.640 0.680 0.000 0.259 538 D C 0.709 177.014 176.300 0.008 0.000 1.296 538 D CA 0.180 54.242 54.000 0.104 0.000 0.931 538 D CB 0.443 41.280 40.800 0.061 0.000 1.067 538 D HN 0.014 nan 8.370 nan 0.000 0.503 539 R N 1.312 121.777 120.500 -0.058 0.000 2.237 539 R HA -0.085 4.663 4.340 0.680 0.000 0.219 539 R C 2.028 178.058 176.300 -0.450 0.000 1.080 539 R CA 1.039 56.877 56.100 -0.437 0.000 0.995 539 R CB 0.045 29.795 30.300 -0.918 0.000 0.875 539 R HN 0.395 nan 8.270 nan 0.000 0.462 540 S N 0.380 115.928 115.700 -0.253 0.000 2.522 540 S HA -0.020 4.858 4.470 0.680 0.000 0.227 540 S C 1.472 176.002 174.600 -0.117 0.000 0.986 540 S CA 0.570 58.682 58.200 -0.147 0.000 0.929 540 S CB 0.132 63.340 63.200 0.015 0.000 0.769 540 S HN 0.250 nan 8.310 nan 0.000 0.529 541 K N 0.562 120.892 120.400 -0.117 0.000 2.356 541 K HA 0.204 4.932 4.320 0.680 0.000 0.195 541 K C 0.562 177.073 176.600 -0.148 0.000 1.037 541 K CA -0.071 56.150 56.287 -0.110 0.000 1.014 541 K CB 0.225 32.676 32.500 -0.082 0.000 0.815 541 K HN 0.324 nan 8.250 nan 0.000 0.507 542 R N 1.210 121.600 120.500 -0.183 0.000 2.694 542 R HA 0.080 4.828 4.340 0.680 0.000 0.268 542 R C 1.061 177.229 176.300 -0.221 0.000 1.061 542 R CA -0.203 55.775 56.100 -0.203 0.000 1.133 542 R CB 0.407 30.573 30.300 -0.224 0.000 1.020 542 R HN -0.147 nan 8.270 nan 0.000 0.475 543 K N 1.887 122.125 120.400 -0.270 0.000 2.288 543 K HA -0.078 4.649 4.320 0.680 0.000 0.201 543 K C 0.278 176.783 176.600 -0.159 0.000 1.048 543 K CA 1.274 57.362 56.287 -0.331 0.000 0.956 543 K CB 0.153 32.187 32.500 -0.775 0.000 0.746 543 K HN 0.460 nan 8.250 nan 0.000 0.461 544 R N 0.299 120.721 120.500 -0.131 0.000 2.547 544 R HA 0.200 4.948 4.340 0.680 0.000 0.280 544 R C -2.304 173.891 176.300 -0.175 0.000 1.630 544 R CA -1.455 54.596 56.100 -0.081 0.000 1.470 544 R CB 0.985 31.275 30.300 -0.016 0.000 1.178 544 R HN -0.153 nan 8.270 nan 0.000 0.591 545 P HA -0.163 nan 4.420 nan 0.000 0.213 545 P C -0.289 176.483 177.300 -0.881 0.000 1.170 545 P CA 1.384 64.108 63.100 -0.625 0.000 0.902 545 P CB 0.211 31.602 31.700 -0.514 0.000 0.789 546 F N -3.460 116.440 119.950 -0.083 0.000 2.660 546 F HA 0.353 5.287 4.527 0.679 0.000 0.352 546 F C -1.933 173.865 175.800 -0.004 0.000 1.257 546 F CA -2.043 55.921 58.000 -0.059 0.000 1.200 546 F CB 1.105 40.059 39.000 -0.077 0.000 1.473 546 F HN -0.094 nan 8.300 nan 0.000 0.561 547 P HA -0.128 nan 4.420 nan 0.000 0.218 547 P C 1.873 179.273 177.300 0.166 0.000 1.148 547 P CA 1.415 64.612 63.100 0.162 0.000 0.822 547 P CB 0.311 32.124 31.700 0.188 0.000 0.784 548 G N -0.513 108.345 108.800 0.097 0.000 2.484 548 G HA2 -0.168 4.200 3.960 0.680 0.000 0.218 548 G HA3 -0.168 4.200 3.960 0.680 0.000 0.218 548 G C 1.398 176.340 174.900 0.071 0.000 1.130 548 G CA 0.212 45.316 45.100 0.007 0.000 0.784 548 G HN 0.235 nan 8.290 nan 0.000 0.543 549 L N 0.626 121.913 121.223 0.106 0.000 2.191 549 L HA -0.042 4.706 4.340 0.680 0.000 0.212 549 L C 3.268 180.219 176.870 0.135 0.000 1.103 549 L CA 0.728 55.627 54.840 0.098 0.000 0.769 549 L CB -0.402 41.700 42.059 0.072 0.000 0.908 549 L HN 0.292 nan 8.230 nan 0.000 0.438 550 A N -0.384 122.537 122.820 0.168 0.000 2.076 550 A HA -0.259 4.468 4.320 0.680 0.000 0.220 550 A C 2.143 179.853 177.584 0.210 0.000 1.160 550 A CA 1.178 53.327 52.037 0.186 0.000 0.653 550 A CB -0.836 18.294 19.000 0.215 0.000 0.801 550 A HN 0.700 nan 8.150 nan 0.000 0.455 551 W N 0.439 121.750 121.300 0.019 0.000 2.418 551 W HA -0.103 4.965 4.660 0.681 0.000 0.292 551 W C 2.300 178.831 176.519 0.020 0.000 1.213 551 W CA 1.443 58.789 57.345 0.001 0.000 1.283 551 W CB -0.273 29.136 29.460 -0.084 0.000 1.119 551 W HN 0.446 nan 8.180 nan 0.000 0.542 552 A N 0.958 123.872 122.820 0.155 0.000 1.851 552 A HA -0.280 4.447 4.320 0.680 0.000 0.216 552 A C 1.949 179.521 177.584 -0.019 0.000 1.195 552 A CA 2.818 54.885 52.037 0.050 0.000 0.622 552 A CB -1.428 17.600 19.000 0.047 0.000 0.831 552 A HN 0.325 nan 8.150 nan 0.000 0.444 553 S N -0.956 114.744 115.700 0.001 0.000 2.650 553 S HA 0.080 4.958 4.470 0.680 0.000 0.219 553 S C 1.602 176.196 174.600 -0.010 0.000 0.960 553 S CA 0.885 59.072 58.200 -0.022 0.000 0.925 553 S CB -0.506 62.685 63.200 -0.016 0.000 0.775 553 S HN 0.617 nan 8.310 nan 0.000 0.525 554 M N 1.733 121.324 119.600 -0.017 0.000 2.081 554 M HA -0.016 4.872 4.480 0.680 0.000 0.261 554 M C 2.196 178.541 176.300 0.074 0.000 1.075 554 M CA 2.040 57.381 55.300 0.068 0.000 1.133 554 M CB -0.319 32.208 32.600 -0.122 0.000 1.330 554 M HN 0.301 nan 8.290 nan 0.000 0.414 555 K N 0.656 121.027 120.400 -0.047 0.000 2.044 555 K HA -0.275 4.452 4.320 0.680 0.000 0.210 555 K C 1.830 178.307 176.600 -0.206 0.000 1.049 555 K CA 2.435 58.645 56.287 -0.129 0.000 0.927 555 K CB -0.797 31.645 32.500 -0.098 0.000 0.713 555 K HN 0.542 nan 8.250 nan 0.000 0.443 556 D N -0.957 119.361 120.400 -0.137 0.000 2.221 556 D HA -0.128 4.920 4.640 0.680 0.000 0.204 556 D C 1.105 177.307 176.300 -0.163 0.000 0.982 556 D CA 1.346 55.262 54.000 -0.140 0.000 0.857 556 D CB 0.224 40.957 40.800 -0.112 0.000 0.934 556 D HN 0.369 nan 8.370 nan 0.000 0.475 557 T N -1.422 113.022 114.554 -0.183 0.000 2.990 557 T HA -0.007 4.751 4.350 0.680 0.000 0.237 557 T C 1.445 175.928 174.700 -0.361 0.000 1.009 557 T CA 0.414 62.321 62.100 -0.321 0.000 1.195 557 T CB -0.214 68.343 68.868 -0.517 0.000 0.885 557 T HN 0.141 nan 8.240 nan 0.000 0.424 558 Y N 0.929 121.198 120.300 -0.052 0.000 2.517 558 Y HA 0.289 5.247 4.550 0.680 0.000 0.281 558 Y C 2.530 178.325 175.900 -0.176 0.000 1.125 558 Y CA -0.036 58.058 58.100 -0.010 0.000 1.283 558 Y CB -0.468 38.079 38.460 0.145 0.000 1.042 558 Y HN 0.278 nan 8.280 nan 0.000 0.547 559 G N 0.333 108.883 108.800 -0.416 0.000 2.479 559 G HA2 -0.256 4.112 3.960 0.680 0.000 0.220 559 G HA3 -0.256 4.112 3.960 0.680 0.000 0.220 559 G C 1.788 176.441 174.900 -0.411 0.000 1.115 559 G CA 0.940 45.456 45.100 -0.973 0.000 0.757 559 G HN 0.458 nan 8.290 nan 0.000 0.560 560 A N -0.661 122.045 122.820 -0.189 0.000 2.119 560 A HA 0.132 4.860 4.320 0.680 0.000 0.216 560 A C 1.574 179.156 177.584 -0.002 0.000 1.152 560 A CA 0.450 52.440 52.037 -0.077 0.000 0.708 560 A CB -0.672 18.299 19.000 -0.047 0.000 0.805 560 A HN 0.425 nan 8.150 nan 0.000 0.460 561 C N 0.737 120.063 119.300 0.043 0.000 2.611 561 C HA 0.202 5.070 4.460 0.680 0.000 0.416 561 C C -0.458 174.601 174.990 0.114 0.000 1.366 561 C CA -0.901 58.181 59.018 0.107 0.000 1.761 561 C CB 0.308 28.157 27.740 0.181 0.000 2.619 561 C HN 0.437 nan 8.230 nan 0.000 0.606 562 P HA -0.140 nan 4.420 nan 0.000 0.214 562 P C 0.865 178.244 177.300 0.132 0.000 1.163 562 P CA 1.937 65.102 63.100 0.108 0.000 0.889 562 P CB -0.117 31.646 31.700 0.105 0.000 0.790 563 I N -5.545 115.089 120.570 0.107 0.000 3.858 563 I HA 0.163 4.740 4.170 0.680 0.000 0.325 563 I C 1.905 178.043 176.117 0.035 0.000 1.403 563 I CA -0.335 60.997 61.300 0.053 0.000 1.169 563 I CB -0.830 37.092 38.000 -0.130 0.000 1.077 563 I HN -0.155 nan 8.210 nan 0.000 0.403 564 Y N 2.464 122.762 120.300 -0.005 0.000 1.993 564 Y HA -0.400 4.558 4.550 0.680 0.000 0.267 564 Y C 2.679 178.579 175.900 0.001 0.000 1.155 564 Y CA 2.673 60.773 58.100 -0.000 0.000 1.105 564 Y CB -0.447 38.029 38.460 0.027 0.000 0.960 564 Y HN 0.360 nan 8.280 nan 0.000 0.486 565 S N 0.612 116.377 115.700 0.108 0.000 2.390 565 S HA -0.352 4.526 4.470 0.680 0.000 0.234 565 S C 1.422 176.008 174.600 -0.024 0.000 1.063 565 S CA 1.966 60.181 58.200 0.025 0.000 1.108 565 S CB -0.951 62.323 63.200 0.124 0.000 0.975 565 S HN 0.635 nan 8.310 nan 0.000 0.442 566 D N 0.941 121.357 120.400 0.027 0.000 2.084 566 D HA -0.051 4.997 4.640 0.680 0.000 0.194 566 D C 2.027 178.315 176.300 -0.020 0.000 0.990 566 D CA 0.999 55.041 54.000 0.069 0.000 0.826 566 D CB -0.646 40.284 40.800 0.216 0.000 0.971 566 D HN 0.230 nan 8.370 nan 0.000 0.453 567 V N 0.737 120.556 119.914 -0.158 0.000 2.392 567 V HA -0.206 4.322 4.120 0.680 0.000 0.249 567 V C 2.421 178.456 176.094 -0.097 0.000 1.059 567 V CA 1.156 63.347 62.300 -0.181 0.000 1.051 567 V CB -0.468 31.206 31.823 -0.249 0.000 0.658 567 V HN 0.260 nan 8.190 nan 0.000 0.455 568 L N -0.526 120.604 121.223 -0.154 0.000 2.046 568 L HA -0.203 4.545 4.340 0.680 0.000 0.208 568 L C 2.579 179.478 176.870 0.047 0.000 1.077 568 L CA 1.739 56.533 54.840 -0.077 0.000 0.747 568 L CB -0.482 41.440 42.059 -0.229 0.000 0.896 568 L HN 0.394 nan 8.230 nan 0.000 0.432 569 E N -0.128 120.088 120.200 0.027 0.000 2.072 569 E HA -0.191 4.567 4.350 0.680 0.000 0.191 569 E C 2.298 178.935 176.600 0.061 0.000 0.985 569 E CA 1.046 57.483 56.400 0.062 0.000 0.801 569 E CB -0.141 29.590 29.700 0.053 0.000 0.750 569 E HN 0.470 nan 8.360 nan 0.000 0.452 570 A N 1.276 124.125 122.820 0.047 0.000 1.892 570 A HA -0.246 4.481 4.320 0.680 0.000 0.218 570 A C 2.182 179.785 177.584 0.031 0.000 1.188 570 A CA 1.443 53.487 52.037 0.012 0.000 0.631 570 A CB -0.770 18.281 19.000 0.086 0.000 0.822 570 A HN 0.182 nan 8.150 nan 0.000 0.447 571 I N -0.996 119.634 120.570 0.101 0.000 2.127 571 I HA -0.272 4.306 4.170 0.680 0.000 0.241 571 I C 2.614 178.925 176.117 0.323 0.000 1.075 571 I CA 1.941 63.378 61.300 0.228 0.000 1.334 571 I CB -0.337 37.794 38.000 0.219 0.000 1.040 571 I HN 0.458 nan 8.210 nan 0.000 0.405 572 E N 1.151 121.513 120.200 0.269 0.000 2.058 572 E HA -0.272 4.486 4.350 0.680 0.000 0.194 572 E C 2.278 179.100 176.600 0.372 0.000 0.997 572 E CA 1.580 58.181 56.400 0.334 0.000 0.801 572 E CB -0.153 29.699 29.700 0.253 0.000 0.746 572 E HN 0.196 nan 8.360 nan 0.000 0.450 573 R N -0.685 119.953 120.500 0.229 0.000 2.062 573 R HA -0.082 4.665 4.340 0.680 0.000 0.231 573 R C 2.351 178.798 176.300 0.245 0.000 1.136 573 R CA 1.591 57.799 56.100 0.180 0.000 0.948 573 R CB -0.700 29.605 30.300 0.009 0.000 0.845 573 R HN 0.333 nan 8.270 nan 0.000 0.430 574 C N -0.112 119.304 119.300 0.193 0.000 2.419 574 C HA -0.116 4.751 4.460 0.680 0.000 0.281 574 C C 2.319 177.605 174.990 0.492 0.000 1.336 574 C CA 0.159 59.301 59.018 0.208 0.000 1.770 574 C CB -1.268 26.483 27.740 0.019 0.000 1.929 574 C HN 0.675 nan 8.230 nan 0.000 0.509 575 W N -0.585 120.959 121.300 0.406 0.000 2.407 575 W HA -0.107 4.961 4.660 0.680 0.000 0.305 575 W C 2.426 179.115 176.519 0.284 0.000 1.196 575 W CA 1.048 58.558 57.345 0.275 0.000 1.311 575 W CB -0.855 28.664 29.460 0.098 0.000 1.135 575 W HN 0.468 nan 8.180 nan 0.000 0.514 576 W N 2.030 123.535 121.300 0.342 0.000 2.311 576 W HA -0.303 4.765 4.660 0.679 0.000 0.326 576 W C 2.386 178.938 176.519 0.054 0.000 1.239 576 W CA 2.518 59.977 57.345 0.190 0.000 1.258 576 W CB -0.979 28.576 29.460 0.158 0.000 1.165 576 W HN -0.183 nan 8.180 nan 0.000 0.466 577 N N -0.181 118.751 118.700 0.386 0.000 2.144 577 N HA -0.250 4.898 4.740 0.680 0.000 0.195 577 N C 1.373 176.850 175.510 -0.055 0.000 1.006 577 N CA 2.291 55.448 53.050 0.179 0.000 0.880 577 N CB -0.790 37.760 38.487 0.106 0.000 1.018 577 N HN 0.303 nan 8.380 nan 0.000 0.443 578 A N -1.714 120.994 122.820 -0.187 0.000 2.140 578 A HA 0.263 4.991 4.320 0.680 0.000 0.209 578 A C 1.414 178.490 177.584 -0.846 0.000 1.181 578 A CA 0.092 51.832 52.037 -0.495 0.000 0.824 578 A CB 0.131 18.805 19.000 -0.543 0.000 0.879 578 A HN 0.198 nan 8.150 nan 0.000 0.480 579 F N -1.371 118.275 119.950 -0.507 0.000 2.747 579 F HA 0.378 5.313 4.527 0.679 0.000 0.305 579 F C 1.594 177.091 175.800 -0.506 0.000 1.065 579 F CA 0.558 58.234 58.000 -0.538 0.000 1.230 579 F CB 0.666 39.210 39.000 -0.760 0.000 1.027 579 F HN 0.277 nan 8.300 nan 0.000 0.607 580 G N 1.845 110.310 108.800 -0.558 0.000 2.291 580 G HA2 -0.200 4.168 3.960 0.680 0.000 0.271 580 G HA3 -0.200 4.168 3.960 0.680 0.000 0.271 580 G C -0.365 174.052 174.900 -0.805 0.000 1.099 580 G CA 0.055 44.558 45.100 -0.996 0.000 0.919 580 G HN 0.371 nan 8.290 nan 0.000 0.496 581 E N -1.122 118.669 120.200 -0.681 0.000 2.430 581 E HA 0.528 5.285 4.350 0.680 0.000 0.279 581 E C -0.714 176.039 176.600 0.255 0.000 1.003 581 E CA -0.651 55.668 56.400 -0.135 0.000 0.801 581 E CB 1.567 31.304 29.700 0.062 0.000 1.313 581 E HN 0.355 nan 8.360 nan 0.000 0.459 582 S N 0.815 116.706 115.700 0.319 0.000 2.411 582 S HA 0.122 5.000 4.470 0.680 0.000 0.294 582 S C 0.492 175.184 174.600 0.153 0.000 1.115 582 S CA -0.308 58.099 58.200 0.346 0.000 1.071 582 S CB 0.077 63.418 63.200 0.236 0.000 0.967 582 S HN 0.697 nan 8.310 nan 0.000 0.488 583 Y N 5.576 125.811 120.300 -0.108 0.000 2.053 583 Y HA -0.248 4.710 4.550 0.679 0.000 0.277 583 Y C 2.569 178.228 175.900 -0.401 0.000 1.159 583 Y CA 2.198 59.900 58.100 -0.664 0.000 1.125 583 Y CB -0.210 37.848 38.460 -0.670 0.000 0.969 583 Y HN 0.767 nan 8.280 nan 0.000 0.492 584 R N 0.288 120.686 120.500 -0.170 0.000 2.133 584 R HA -0.329 4.418 4.340 0.680 0.000 0.245 584 R C 2.346 178.389 176.300 -0.428 0.000 1.137 584 R CA 1.826 57.779 56.100 -0.244 0.000 0.947 584 R CB -0.810 29.549 30.300 0.099 0.000 0.865 584 R HN 0.533 nan 8.270 nan 0.000 0.437 585 A N 0.156 122.849 122.820 -0.212 0.000 1.849 585 A HA -0.275 4.453 4.320 0.680 0.000 0.217 585 A C 1.985 179.381 177.584 -0.314 0.000 1.202 585 A CA 1.728 53.651 52.037 -0.189 0.000 0.629 585 A CB -1.287 17.684 19.000 -0.049 0.000 0.834 585 A HN 0.626 nan 8.150 nan 0.000 0.447 586 Y N 0.770 120.804 120.300 -0.444 0.000 1.997 586 Y HA -0.347 4.611 4.550 0.679 0.000 0.265 586 Y C 2.472 177.947 175.900 -0.710 0.000 1.193 586 Y CA 2.742 60.529 58.100 -0.522 0.000 1.106 586 Y CB -0.279 37.829 38.460 -0.587 0.000 0.940 586 Y HN 0.228 nan 8.280 nan 0.000 0.494 587 R N 0.529 120.343 120.500 -1.142 0.000 2.189 587 R HA -0.121 4.627 4.340 0.680 0.000 0.223 587 R C 2.204 177.807 176.300 -1.162 0.000 1.092 587 R CA 1.464 56.698 56.100 -1.443 0.000 0.989 587 R CB -0.633 28.260 30.300 -2.345 0.000 0.876 587 R HN 0.605 nan 8.270 nan 0.000 0.457 588 E N 0.299 119.956 120.200 -0.905 0.000 2.076 588 E HA -0.101 4.656 4.350 0.680 0.000 0.190 588 E C 1.213 177.602 176.600 -0.351 0.000 0.979 588 E CA 0.756 56.842 56.400 -0.523 0.000 0.807 588 E CB 0.164 29.671 29.700 -0.322 0.000 0.761 588 E HN 0.204 nan 8.360 nan 0.000 0.454 589 D N 0.436 120.619 120.400 -0.362 0.000 2.097 589 D HA -0.197 4.851 4.640 0.680 0.000 0.195 589 D C 1.885 178.007 176.300 -0.296 0.000 0.989 589 D CA 1.002 54.840 54.000 -0.270 0.000 0.827 589 D CB -0.228 40.425 40.800 -0.245 0.000 0.966 589 D HN 0.180 nan 8.370 nan 0.000 0.456 590 M N 0.433 119.764 119.600 -0.450 0.000 2.267 590 M HA -0.135 4.753 4.480 0.680 0.000 0.263 590 M C 2.090 178.242 176.300 -0.247 0.000 1.063 590 M CA 0.844 55.904 55.300 -0.400 0.000 1.090 590 M CB 0.089 32.327 32.600 -0.604 0.000 1.392 590 M HN 0.023 nan 8.290 nan 0.000 0.422 591 L N 0.229 121.302 121.223 -0.250 0.000 1.976 591 L HA -0.275 4.473 4.340 0.680 0.000 0.209 591 L C 2.260 179.082 176.870 -0.080 0.000 1.071 591 L CA 1.720 56.489 54.840 -0.118 0.000 0.746 591 L CB -0.346 41.665 42.059 -0.080 0.000 0.890 591 L HN 0.257 nan 8.230 nan 0.000 0.432 592 K N -0.584 119.760 120.400 -0.094 0.000 2.074 592 K HA -0.246 4.482 4.320 0.680 0.000 0.209 592 K C 2.138 178.707 176.600 -0.051 0.000 1.048 592 K CA 1.701 57.950 56.287 -0.064 0.000 0.926 592 K CB -0.147 32.314 32.500 -0.066 0.000 0.713 592 K HN 0.257 nan 8.250 nan 0.000 0.444 593 R N 0.795 121.257 120.500 -0.064 0.000 2.080 593 R HA -0.130 4.618 4.340 0.680 0.000 0.236 593 R C 1.907 178.214 176.300 0.013 0.000 1.137 593 R CA 1.899 57.979 56.100 -0.032 0.000 0.943 593 R CB -0.190 30.078 30.300 -0.053 0.000 0.846 593 R HN 0.190 nan 8.270 nan 0.000 0.431 594 D N -0.678 119.736 120.400 0.023 0.000 2.224 594 D HA -0.080 4.967 4.640 0.680 0.000 0.205 594 D C 1.635 177.934 176.300 -0.001 0.000 0.965 594 D CA 1.152 55.215 54.000 0.105 0.000 0.852 594 D CB -0.186 40.715 40.800 0.169 0.000 0.947 594 D HN 0.194 nan 8.370 nan 0.000 0.494 595 T N 0.877 115.409 114.554 -0.038 0.000 2.833 595 T HA -0.035 4.723 4.350 0.680 0.000 0.269 595 T C 2.078 176.739 174.700 -0.064 0.000 1.054 595 T CA 0.532 62.587 62.100 -0.076 0.000 1.135 595 T CB 0.053 68.890 68.868 -0.052 0.000 0.869 595 T HN 0.157 nan 8.240 nan 0.000 0.466 596 L N 0.242 121.451 121.223 -0.023 0.000 2.102 596 L HA 0.074 4.822 4.340 0.680 0.000 0.202 596 L C 2.722 179.612 176.870 0.034 0.000 1.076 596 L CA 0.996 55.834 54.840 -0.003 0.000 0.761 596 L CB -0.496 41.565 42.059 0.003 0.000 0.921 596 L HN 0.167 nan 8.230 nan 0.000 0.444 597 E N 0.853 121.107 120.200 0.089 0.000 2.130 597 E HA -0.264 4.494 4.350 0.680 0.000 0.196 597 E C 1.992 178.769 176.600 0.295 0.000 0.998 597 E CA 1.227 57.764 56.400 0.229 0.000 0.806 597 E CB -0.198 29.698 29.700 0.327 0.000 0.738 597 E HN 0.202 nan 8.360 nan 0.000 0.459 598 L N 0.498 121.713 121.223 -0.013 0.000 2.017 598 L HA -0.131 4.617 4.340 0.680 0.000 0.208 598 L C 2.046 178.906 176.870 -0.017 0.000 1.073 598 L CA 2.388 57.057 54.840 -0.284 0.000 0.745 598 L CB -1.076 40.606 42.059 -0.629 0.000 0.894 598 L HN 0.205 nan 8.230 nan 0.000 0.432 599 S N -0.760 114.920 115.700 -0.034 0.000 2.520 599 S HA -0.233 4.645 4.470 0.680 0.000 0.249 599 S C 1.994 176.596 174.600 0.004 0.000 0.983 599 S CA 1.146 59.334 58.200 -0.019 0.000 0.958 599 S CB -0.774 62.410 63.200 -0.027 0.000 0.750 599 S HN 0.569 nan 8.310 nan 0.000 0.527 600 R N -0.164 120.359 120.500 0.039 0.000 2.140 600 R HA 0.063 4.811 4.340 0.680 0.000 0.213 600 R C 1.301 177.521 176.300 -0.132 0.000 1.059 600 R CA 0.714 56.775 56.100 -0.066 0.000 1.000 600 R CB -0.097 30.124 30.300 -0.132 0.000 0.910 600 R HN 0.510 nan 8.270 nan 0.000 0.455 601 Y N 0.024 120.341 120.300 0.028 0.000 2.397 601 Y HA 0.108 5.066 4.550 0.680 0.000 0.292 601 Y C 0.823 176.728 175.900 0.009 0.000 1.115 601 Y CA 0.082 58.214 58.100 0.053 0.000 1.208 601 Y CB 0.318 38.874 38.460 0.160 0.000 1.046 601 Y HN -0.255 nan 8.280 nan 0.000 0.552 602 V N 1.031 121.013 119.914 0.112 0.000 2.488 602 V HA 0.251 4.779 4.120 0.680 0.000 0.277 602 V C 0.986 177.090 176.094 0.016 0.000 1.046 602 V CA -0.128 62.196 62.300 0.040 0.000 0.986 602 V CB 0.622 32.438 31.823 -0.011 0.000 0.989 602 V HN 0.354 nan 8.190 nan 0.000 0.475 603 A N 4.960 127.789 122.820 0.016 0.000 1.821 603 A HA -0.121 4.607 4.320 0.680 0.000 0.215 603 A C 2.409 179.990 177.584 -0.006 0.000 1.216 603 A CA 2.004 54.043 52.037 0.003 0.000 0.615 603 A CB -1.097 17.908 19.000 0.009 0.000 0.862 603 A HN 1.120 nan 8.150 nan 0.000 0.450 604 S N -0.707 114.989 115.700 -0.006 0.000 2.420 604 S HA -0.157 4.720 4.470 0.680 0.000 0.237 604 S C 1.381 175.971 174.600 -0.017 0.000 1.023 604 S CA 1.497 59.690 58.200 -0.012 0.000 0.991 604 S CB -0.729 62.464 63.200 -0.012 0.000 0.792 604 S HN 0.556 nan 8.310 nan 0.000 0.488 605 M N 1.571 121.159 119.600 -0.020 0.000 1.703 605 M HA 0.463 5.351 4.480 0.680 0.000 0.141 605 M C 0.460 176.746 176.300 -0.024 0.000 1.136 605 M CA 0.863 56.147 55.300 -0.027 0.000 0.771 605 M CB 0.266 32.844 32.600 -0.036 0.000 0.942 605 M HN 0.652 nan 8.290 nan 0.000 0.416 606 A N -0.762 122.042 122.820 -0.027 0.000 2.911 606 A HA 0.013 4.740 4.320 0.680 0.000 0.634 606 A C -0.233 177.338 177.584 -0.022 0.000 0.665 606 A CA 0.011 52.033 52.037 -0.025 0.000 0.253 606 A CB -0.895 18.092 19.000 -0.022 0.000 3.624 606 A HN 0.856 nan 8.150 nan 0.000 0.545 607 R N -0.114 120.374 120.500 -0.021 0.000 1.322 607 R HA -0.110 4.638 4.340 0.680 0.000 0.172 607 R C 0.849 177.139 176.300 -0.018 0.000 0.477 607 R CA 1.687 57.776 56.100 -0.018 0.000 0.285 607 R CB -1.117 29.172 30.300 -0.018 0.000 1.652 607 R HN 1.032 nan 8.270 nan 0.000 0.581 608 Q N -3.328 116.460 119.800 -0.020 0.000 4.467 608 Q HA -0.079 4.669 4.340 0.680 0.000 0.230 608 Q C -0.493 175.493 176.000 -0.023 0.000 0.712 608 Q CA 0.451 56.242 55.803 -0.020 0.000 1.152 608 Q CB -0.953 27.775 28.738 -0.017 0.000 0.611 608 Q HN 0.571 nan 8.270 nan 0.000 1.150 609 A N 0.617 123.422 122.820 -0.025 0.000 2.483 609 A HA 0.598 5.326 4.320 0.680 0.000 0.238 609 A C 0.794 178.358 177.584 -0.033 0.000 1.070 609 A CA 0.825 52.846 52.037 -0.027 0.000 0.770 609 A CB 0.326 19.310 19.000 -0.027 0.000 1.008 609 A HN 0.423 nan 8.150 nan 0.000 0.497 610 G N -0.654 108.127 108.800 -0.032 0.000 2.606 610 G HA2 0.455 4.823 3.960 0.680 0.000 0.262 610 G HA3 0.455 4.823 3.960 0.680 0.000 0.262 610 G C 0.379 175.254 174.900 -0.042 0.000 1.394 610 G CA -0.678 44.401 45.100 -0.036 0.000 1.044 610 G HN 0.678 nan 8.290 nan 0.000 0.553 611 L N 0.972 122.170 121.223 -0.041 0.000 2.650 611 L HA 0.155 4.902 4.340 0.680 0.000 0.235 611 L C 2.840 179.684 176.870 -0.044 0.000 1.149 611 L CA 0.529 55.340 54.840 -0.048 0.000 0.887 611 L CB -0.438 41.597 42.059 -0.039 0.000 1.021 611 L HN 0.534 nan 8.230 nan 0.000 0.441 612 A N 0.467 123.264 122.820 -0.038 0.000 1.927 612 A HA -0.203 4.525 4.320 0.680 0.000 0.220 612 A C 1.945 179.503 177.584 -0.043 0.000 1.185 612 A CA 1.643 53.658 52.037 -0.036 0.000 0.639 612 A CB -0.226 18.755 19.000 -0.031 0.000 0.820 612 A HN 0.414 nan 8.150 nan 0.000 0.451 613 E N -0.551 119.621 120.200 -0.046 0.000 2.335 613 E HA 0.281 5.039 4.350 0.680 0.000 0.191 613 E C -0.677 175.888 176.600 -0.059 0.000 1.077 613 E CA 0.086 56.457 56.400 -0.049 0.000 1.010 613 E CB -0.107 29.567 29.700 -0.044 0.000 1.141 613 E HN 0.557 nan 8.360 nan 0.000 0.452 614 L N 1.149 122.333 121.223 -0.065 0.000 2.356 614 L HA 0.241 4.989 4.340 0.680 0.000 0.277 614 L C 0.648 177.464 176.870 -0.091 0.000 0.996 614 L CA -0.876 53.918 54.840 -0.077 0.000 0.822 614 L CB 1.837 43.851 42.059 -0.075 0.000 1.256 614 L HN -0.068 nan 8.230 nan 0.000 0.413 615 T N -0.421 114.064 114.554 -0.114 0.000 2.932 615 T HA 0.120 4.877 4.350 0.680 0.000 0.312 615 T C -1.811 172.795 174.700 -0.157 0.000 1.071 615 T CA -1.052 60.959 62.100 -0.147 0.000 1.128 615 T CB 0.981 69.734 68.868 -0.192 0.000 0.984 615 T HN 0.339 nan 8.240 nan 0.000 0.549 616 P HA -0.096 nan 4.420 nan 0.000 0.215 616 P C 1.839 179.012 177.300 -0.212 0.000 1.157 616 P CA 1.056 64.063 63.100 -0.155 0.000 0.874 616 P CB -0.100 31.507 31.700 -0.156 0.000 0.790 617 I N -0.152 120.188 120.570 -0.383 0.000 2.074 617 I HA -0.348 4.230 4.170 0.680 0.000 0.238 617 I C 1.914 177.833 176.117 -0.329 0.000 1.037 617 I CA 1.940 62.856 61.300 -0.640 0.000 1.301 617 I CB -0.980 36.465 38.000 -0.924 0.000 1.016 617 I HN -0.003 nan 8.210 nan 0.000 0.400 618 D N 0.756 121.011 120.400 -0.242 0.000 2.170 618 D HA -0.201 4.846 4.640 0.680 0.000 0.193 618 D C 2.223 178.483 176.300 -0.067 0.000 1.004 618 D CA 1.441 55.364 54.000 -0.129 0.000 0.860 618 D CB -0.378 40.355 40.800 -0.112 0.000 0.931 618 D HN 0.356 nan 8.370 nan 0.000 0.448 619 L N 0.737 121.922 121.223 -0.064 0.000 2.007 619 L HA -0.114 4.634 4.340 0.680 0.000 0.205 619 L C 2.477 179.377 176.870 0.050 0.000 1.073 619 L CA 0.945 55.781 54.840 -0.006 0.000 0.744 619 L CB -0.466 41.590 42.059 -0.005 0.000 0.898 619 L HN -0.099 nan 8.230 nan 0.000 0.435 620 E N 0.177 120.414 120.200 0.063 0.000 2.114 620 E HA -0.221 4.537 4.350 0.680 0.000 0.199 620 E C 2.336 179.044 176.600 0.180 0.000 1.008 620 E CA 1.394 57.887 56.400 0.156 0.000 0.810 620 E CB -0.432 29.418 29.700 0.250 0.000 0.739 620 E HN 0.302 nan 8.360 nan 0.000 0.456 621 V N 1.162 121.170 119.914 0.156 0.000 2.427 621 V HA -0.194 4.334 4.120 0.680 0.000 0.248 621 V C 2.400 178.557 176.094 0.106 0.000 1.051 621 V CA 1.125 63.514 62.300 0.150 0.000 1.048 621 V CB -0.311 31.582 31.823 0.116 0.000 0.666 621 V HN 0.194 nan 8.190 nan 0.000 0.456 622 L N -0.433 120.848 121.223 0.096 0.000 2.313 622 L HA 0.010 4.758 4.340 0.680 0.000 0.214 622 L C 2.452 179.418 176.870 0.160 0.000 1.119 622 L CA 1.010 55.931 54.840 0.134 0.000 0.809 622 L CB -0.431 41.702 42.059 0.124 0.000 0.933 622 L HN 0.344 nan 8.230 nan 0.000 0.449 623 A N -1.204 121.700 122.820 0.140 0.000 1.975 623 A HA -0.088 4.640 4.320 0.680 0.000 0.215 623 A C 0.575 178.229 177.584 0.117 0.000 1.170 623 A CA 0.965 53.087 52.037 0.141 0.000 0.656 623 A CB 0.039 19.133 19.000 0.157 0.000 0.821 623 A HN 0.315 nan 8.150 nan 0.000 0.449 624 D N -2.103 118.369 120.400 0.119 0.000 2.472 624 D HA 0.342 5.389 4.640 0.680 0.000 0.248 624 D C -2.518 173.842 176.300 0.100 0.000 1.271 624 D CA -1.406 52.663 54.000 0.114 0.000 0.888 624 D CB 1.079 41.963 40.800 0.139 0.000 1.337 624 D HN -0.080 nan 8.370 nan 0.000 0.526 625 P HA -0.056 nan 4.420 nan 0.000 0.231 625 P C 1.105 178.440 177.300 0.059 0.000 1.158 625 P CA 0.515 63.646 63.100 0.052 0.000 0.763 625 P CB 0.086 31.792 31.700 0.010 0.000 0.805 626 N N 0.230 118.986 118.700 0.095 0.000 2.364 626 N HA -0.134 5.014 4.740 0.680 0.000 0.183 626 N C 1.307 176.906 175.510 0.149 0.000 1.022 626 N CA 0.782 53.922 53.050 0.149 0.000 0.883 626 N CB 0.015 38.632 38.487 0.216 0.000 0.965 626 N HN 0.135 nan 8.380 nan 0.000 0.438 627 K N 0.344 120.756 120.400 0.020 0.000 2.432 627 K HA -0.046 4.681 4.320 0.680 0.000 0.196 627 K C 1.380 177.743 176.600 -0.395 0.000 1.038 627 K CA 0.134 56.192 56.287 -0.383 0.000 0.986 627 K CB 0.139 32.453 32.500 -0.309 0.000 0.782 627 K HN 0.122 nan 8.250 nan 0.000 0.485 628 L N 0.756 121.929 121.223 -0.083 0.000 2.599 628 L HA -0.010 4.737 4.340 0.680 0.000 0.230 628 L C 1.060 177.917 176.870 -0.022 0.000 1.141 628 L CA 1.117 55.959 54.840 0.003 0.000 0.877 628 L CB 0.242 42.340 42.059 0.065 0.000 1.009 628 L HN 0.011 nan 8.230 nan 0.000 0.447 629 Q N -1.230 118.546 119.800 -0.040 0.000 2.155 629 Q HA 0.123 4.871 4.340 0.680 0.000 0.273 629 Q C -0.594 175.491 176.000 0.142 0.000 0.857 629 Q CA -0.017 55.823 55.803 0.062 0.000 1.116 629 Q CB 0.709 29.512 28.738 0.108 0.000 1.209 629 Q HN 0.689 nan 8.270 nan 0.000 0.460 630 Y N -3.880 116.373 120.300 -0.079 0.000 2.913 630 Y HA 0.174 5.131 4.550 0.678 0.000 0.342 630 Y C 0.954 176.719 175.900 -0.225 0.000 0.893 630 Y CA 0.329 58.355 58.100 -0.124 0.000 0.881 630 Y CB -0.244 38.143 38.460 -0.122 0.000 1.370 630 Y HN -0.051 nan 8.280 nan 0.000 0.524 631 K N -0.242 119.574 120.400 -0.975 0.000 2.306 631 K HA 0.256 4.984 4.320 0.680 0.000 0.200 631 K C 0.134 176.175 176.600 -0.932 0.000 1.083 631 K CA 0.560 56.172 56.287 -1.124 0.000 0.959 631 K CB 0.567 32.007 32.500 -1.768 0.000 0.994 631 K HN 0.227 nan 8.250 nan 0.000 0.492 632 W N -0.394 120.695 121.300 -0.352 0.000 3.349 632 W HA 0.474 5.541 4.660 0.679 0.000 0.325 632 W C -0.272 176.108 176.519 -0.232 0.000 1.198 632 W CA -0.697 56.473 57.345 -0.291 0.000 0.985 632 W CB 0.575 29.886 29.460 -0.249 0.000 1.556 632 W HN -0.165 nan 8.180 nan 0.000 0.610 633 T N -0.915 113.673 114.554 0.057 0.000 2.821 633 T HA 0.115 4.873 4.350 0.680 0.000 0.306 633 T C 0.674 175.388 174.700 0.023 0.000 1.313 633 T CA -0.327 61.781 62.100 0.014 0.000 1.012 633 T CB 1.547 70.369 68.868 -0.077 0.000 1.298 633 T HN 0.530 nan 8.240 nan 0.000 0.502 634 E N 1.170 121.405 120.200 0.058 0.000 2.245 634 E HA -0.323 4.435 4.350 0.680 0.000 0.217 634 E C 1.855 178.356 176.600 -0.166 0.000 1.069 634 E CA 2.397 58.749 56.400 -0.079 0.000 0.877 634 E CB -0.416 29.187 29.700 -0.162 0.000 0.757 634 E HN 0.677 nan 8.360 nan 0.000 0.464 635 A N 0.729 123.493 122.820 -0.092 0.000 1.969 635 A HA -0.168 4.559 4.320 0.680 0.000 0.218 635 A C 1.612 179.146 177.584 -0.083 0.000 1.169 635 A CA 1.615 53.605 52.037 -0.080 0.000 0.635 635 A CB -0.194 18.794 19.000 -0.019 0.000 0.810 635 A HN 0.348 nan 8.150 nan 0.000 0.445 636 D N -0.654 119.690 120.400 -0.094 0.000 2.363 636 D HA 0.103 5.151 4.640 0.680 0.000 0.226 636 D C -0.106 176.068 176.300 -0.209 0.000 1.020 636 D CA 0.483 54.376 54.000 -0.179 0.000 0.892 636 D CB 0.231 40.864 40.800 -0.279 0.000 0.900 636 D HN 0.180 nan 8.370 nan 0.000 0.531 637 V N 1.348 121.190 119.914 -0.119 0.000 2.407 637 V HA 0.104 4.632 4.120 0.680 0.000 0.291 637 V C 0.155 176.218 176.094 -0.051 0.000 1.018 637 V CA -0.948 61.304 62.300 -0.079 0.000 0.842 637 V CB 1.821 33.665 31.823 0.034 0.000 0.996 637 V HN -0.050 nan 8.190 nan 0.000 0.426 638 S N 3.463 119.123 115.700 -0.066 0.000 2.817 638 S HA -0.026 4.852 4.470 0.680 0.000 0.333 638 S C 1.635 176.231 174.600 -0.007 0.000 1.227 638 S CA 0.349 58.520 58.200 -0.048 0.000 1.027 638 S CB 0.607 63.776 63.200 -0.052 0.000 0.732 638 S HN 1.125 nan 8.310 nan 0.000 0.499 639 A N 4.306 127.114 122.820 -0.020 0.000 1.892 639 A HA -0.256 4.472 4.320 0.680 0.000 0.218 639 A C 2.142 179.755 177.584 0.049 0.000 1.188 639 A CA 1.878 53.915 52.037 -0.000 0.000 0.631 639 A CB -0.719 18.267 19.000 -0.022 0.000 0.822 639 A HN 0.944 nan 8.150 nan 0.000 0.447 640 N N 0.130 118.845 118.700 0.025 0.000 2.188 640 N HA -0.124 5.024 4.740 0.680 0.000 0.184 640 N C 1.451 176.986 175.510 0.043 0.000 1.018 640 N CA 1.618 54.686 53.050 0.030 0.000 0.858 640 N CB -0.561 37.930 38.487 0.007 0.000 0.989 640 N HN 0.348 nan 8.380 nan 0.000 0.426 641 I N 1.917 122.507 120.570 0.033 0.000 2.286 641 I HA -0.195 4.383 4.170 0.680 0.000 0.248 641 I C 2.486 178.641 176.117 0.063 0.000 1.115 641 I CA 0.962 62.280 61.300 0.030 0.000 1.392 641 I CB -1.533 36.470 38.000 0.005 0.000 1.065 641 I HN 0.334 nan 8.210 nan 0.000 0.418 642 H N 1.559 120.627 119.070 -0.003 0.000 2.319 642 H HA -0.186 4.778 4.556 0.680 0.000 0.297 642 H C 1.723 177.067 175.328 0.027 0.000 1.097 642 H CA 1.899 57.952 56.048 0.008 0.000 1.285 642 H CB 0.318 30.079 29.762 -0.003 0.000 1.368 642 H HN 0.455 nan 8.280 nan 0.000 0.495 643 E N -0.132 120.126 120.200 0.097 0.000 2.401 643 E HA -0.085 4.673 4.350 0.680 0.000 0.199 643 E C 2.306 178.940 176.600 0.057 0.000 1.023 643 E CA 0.476 56.917 56.400 0.069 0.000 0.859 643 E CB 0.247 29.997 29.700 0.082 0.000 0.780 643 E HN 0.243 nan 8.360 nan 0.000 0.523 644 V N 0.912 120.854 119.914 0.047 0.000 2.379 644 V HA -0.193 4.335 4.120 0.680 0.000 0.245 644 V C 1.993 178.111 176.094 0.040 0.000 1.044 644 V CA 1.402 63.749 62.300 0.078 0.000 1.036 644 V CB -0.112 31.767 31.823 0.093 0.000 0.664 644 V HN 0.281 nan 8.190 nan 0.000 0.453 645 L N -1.547 119.656 121.223 -0.032 0.000 2.221 645 L HA 0.168 4.916 4.340 0.680 0.000 0.202 645 L C 0.937 177.751 176.870 -0.093 0.000 1.074 645 L CA 0.545 55.345 54.840 -0.067 0.000 0.795 645 L CB -0.084 41.920 42.059 -0.091 0.000 0.960 645 L HN 0.260 nan 8.230 nan 0.000 0.458 646 M N -1.211 118.287 119.600 -0.169 0.000 2.762 646 M HA 0.391 5.278 4.480 0.680 0.000 0.306 646 M C -0.706 175.617 176.300 0.038 0.000 1.223 646 M CA -0.264 54.968 55.300 -0.113 0.000 0.896 646 M CB 1.674 34.109 32.600 -0.273 0.000 1.684 646 M HN -0.024 nan 8.290 nan 0.000 0.491 647 H N -0.541 118.519 119.070 -0.016 0.000 2.954 647 H HA 0.585 5.549 4.556 0.680 0.000 0.361 647 H C -1.446 173.909 175.328 0.046 0.000 1.122 647 H CA -0.197 55.864 56.048 0.020 0.000 1.217 647 H CB 1.951 31.719 29.762 0.011 0.000 1.776 647 H HN 0.822 nan 8.280 nan 0.000 0.533 648 G N 1.916 110.483 108.800 -0.389 0.000 2.552 648 G HA2 0.498 4.866 3.960 0.680 0.000 0.318 648 G HA3 0.498 4.866 3.960 0.680 0.000 0.318 648 G C -0.870 173.960 174.900 -0.116 0.000 1.240 648 G CA -0.516 44.497 45.100 -0.144 0.000 1.002 648 G HN 0.386 nan 8.290 nan 0.000 0.493 649 V N 0.592 120.507 119.914 0.001 0.000 2.532 649 V HA 0.345 4.872 4.120 0.680 0.000 0.295 649 V C 0.570 176.671 176.094 0.010 0.000 1.041 649 V CA -0.749 61.570 62.300 0.032 0.000 0.926 649 V CB 1.490 33.346 31.823 0.056 0.000 0.992 649 V HN 0.978 nan 8.190 nan 0.000 0.457 650 S N 2.994 118.704 115.700 0.016 0.000 2.642 650 S HA -0.027 4.851 4.470 0.680 0.000 0.308 650 S C 1.081 175.696 174.600 0.024 0.000 1.255 650 S CA 0.194 58.403 58.200 0.015 0.000 1.057 650 S CB 0.759 63.973 63.200 0.023 0.000 0.785 650 S HN 0.794 nan 8.310 nan 0.000 0.500 651 V N 2.502 122.427 119.914 0.019 0.000 2.626 651 V HA -0.147 4.380 4.120 0.680 0.000 0.252 651 V C 1.969 178.085 176.094 0.038 0.000 1.067 651 V CA 2.083 64.401 62.300 0.029 0.000 1.081 651 V CB -0.943 30.891 31.823 0.019 0.000 0.686 651 V HN 0.918 nan 8.190 nan 0.000 0.468 652 E N 0.177 120.395 120.200 0.031 0.000 2.267 652 E HA -0.176 4.581 4.350 0.680 0.000 0.197 652 E C 2.122 178.752 176.600 0.050 0.000 0.998 652 E CA 1.183 57.603 56.400 0.034 0.000 0.830 652 E CB -0.118 29.598 29.700 0.027 0.000 0.751 652 E HN 0.567 nan 8.360 nan 0.000 0.491 653 K N -0.512 119.922 120.400 0.056 0.000 2.214 653 K HA 0.072 4.800 4.320 0.680 0.000 0.201 653 K C 2.284 178.954 176.600 0.115 0.000 1.049 653 K CA 1.412 57.742 56.287 0.072 0.000 0.978 653 K CB -0.224 32.304 32.500 0.048 0.000 0.842 653 K HN 0.279 nan 8.250 nan 0.000 0.474 654 T N 0.370 114.990 114.554 0.110 0.000 2.737 654 T HA -0.165 4.593 4.350 0.680 0.000 0.265 654 T C 1.951 176.769 174.700 0.197 0.000 1.038 654 T CA 1.256 63.462 62.100 0.176 0.000 1.144 654 T CB -0.271 68.678 68.868 0.135 0.000 0.866 654 T HN 0.281 nan 8.240 nan 0.000 0.434 655 E N 1.357 121.625 120.200 0.113 0.000 2.033 655 E HA -0.276 4.481 4.350 0.680 0.000 0.199 655 E C 2.576 179.224 176.600 0.079 0.000 1.011 655 E CA 1.264 57.708 56.400 0.074 0.000 0.815 655 E CB -0.202 29.524 29.700 0.044 0.000 0.755 655 E HN 0.456 nan 8.360 nan 0.000 0.451 656 R N -0.718 119.839 120.500 0.095 0.000 2.127 656 R HA -0.181 4.566 4.340 0.680 0.000 0.238 656 R C 2.342 178.726 176.300 0.140 0.000 1.134 656 R CA 1.620 57.775 56.100 0.093 0.000 0.975 656 R CB -0.340 30.013 30.300 0.088 0.000 0.865 656 R HN 0.291 nan 8.270 nan 0.000 0.447 657 F N 0.304 120.285 119.950 0.053 0.000 2.149 657 F HA -0.126 4.809 4.527 0.679 0.000 0.294 657 F C 1.781 177.632 175.800 0.085 0.000 1.095 657 F CA 0.806 58.862 58.000 0.094 0.000 1.276 657 F CB -0.423 38.644 39.000 0.112 0.000 1.023 657 F HN -0.024 nan 8.300 nan 0.000 0.480 658 L N 1.436 122.603 121.223 -0.093 0.000 2.127 658 L HA -0.148 4.599 4.340 0.680 0.000 0.211 658 L C 2.548 179.244 176.870 -0.291 0.000 1.089 658 L CA 1.789 56.467 54.840 -0.270 0.000 0.757 658 L CB -1.075 40.950 42.059 -0.058 0.000 0.899 658 L HN 0.283 nan 8.230 nan 0.000 0.434 659 R N -1.125 119.279 120.500 -0.161 0.000 2.235 659 R HA -0.063 4.685 4.340 0.680 0.000 0.213 659 R C 2.012 178.233 176.300 -0.132 0.000 1.059 659 R CA 1.118 57.139 56.100 -0.131 0.000 0.997 659 R CB -0.049 30.215 30.300 -0.060 0.000 0.884 659 R HN 0.556 nan 8.270 nan 0.000 0.462 660 S N -1.553 114.074 115.700 -0.123 0.000 2.575 660 S HA 0.079 4.957 4.470 0.680 0.000 0.215 660 S C 1.451 176.016 174.600 -0.058 0.000 0.966 660 S CA -0.054 58.144 58.200 -0.003 0.000 0.911 660 S CB 0.836 64.122 63.200 0.143 0.000 0.780 660 S HN 0.099 nan 8.310 nan 0.000 0.514 661 V N 1.235 120.922 119.914 -0.380 0.000 2.581 661 V HA 0.292 4.819 4.120 0.680 0.000 0.240 661 V C 1.393 177.061 176.094 -0.710 0.000 1.054 661 V CA 0.841 62.746 62.300 -0.658 0.000 1.076 661 V CB -0.201 31.047 31.823 -0.959 0.000 0.748 661 V HN 0.461 nan 8.190 nan 0.000 0.474 662 M N 0.111 119.313 119.600 -0.664 0.000 2.219 662 M HA 0.327 5.215 4.480 0.680 0.000 0.280 662 M C -2.008 174.004 176.300 -0.480 0.000 1.189 662 M CA -1.218 53.622 55.300 -0.767 0.000 1.010 662 M CB 0.154 32.403 32.600 -0.586 0.000 1.422 662 M HN 0.092 nan 8.290 nan 0.000 0.504 663 P HA 0.000 nan 4.420 nan 0.000 0.216 663 P CA 0.000 62.962 63.100 -0.231 0.000 0.800 663 P CB 0.000 31.597 31.700 -0.172 0.000 0.726