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 2aly_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRVPFSWLKA YVPELESPEV LEERLAGLGF ETDRIERVFP IPRGVVFARV DATA SEQUENCE LEAHPIPGTR LKRLVLDAGR TVEVVSGAEN ARKGIGVALA LPGTELPGLG DATA SEQUENCE QKVGERVIQG VRSFGMALSP RELGVGEYGG GLLEFPEDAL PPGTPLSEAW DATA SEQUENCE PEEVVLDLEV TPNRPDALGL LGLARDLHAL GYALVEPEAA LKAEALPLPF DATA SEQUENCE ALKVEDPEGA PHFTLGYAFG LRVAPSPLWM QRALFAAGMR PINNVVDVTN DATA SEQUENCE YVMLERAQPM HAFDLRFVGE GIAVRRAREG ERLKTLDGVE RTLHPEDLVI DATA SEQUENCE AGWRGEESFP LGLAGVMGGA ESEVREDTEA IALEVACFDP VSIRKTARRH DATA SEQUENCE GLRTEASHRF ERGVDPLGQV PAQRRALSLL QALAGARVAE ALLEAGSPKP DATA SEQUENCE PEAIPFRPEY ANRLLGTSYP EAEQIAILKR LGCRVEGEGP TYRVTPPSHR DATA SEQUENCE LDLRLEEDLV EEVARIQGYE TIPLALPAFF PAPDNRGVEA PYRKEQRLRE DATA SEQUENCE VLSGLGFQEV YTYSFMDPED ARRFRLDPPR LLLLNPLAPE KAALRTHLFP DATA SEQUENCE GLVRVLKENL DLDRPERALL FEVGRVFRER EETHLAGLLF GEGVGLPWAK DATA SEQUENCE ERLSGYFLLK GYLEALFARL GLAFRVEAQA FPFLHPGVSG RVLVEGEEVG DATA SEQUENCE FLGALHPEIA QELELPPVHL FELRLPLPDK PLAFQDPSRH PAAFRDLAVV DATA SEQUENCE VPAPTPYGEV EALVREAAGP YLESLALFDL YQGPPLPEGH KSLAFHLRFR DATA SEQUENCE HPKRTLRDEE VEEAVSRVAE ALRARGFGLR GLDTP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.273 176.300 -0.046 0.000 1.140 1 M CA 0.000 55.278 55.300 -0.037 0.000 0.988 1 M CB 0.000 32.567 32.600 -0.054 0.000 1.302 2 R N 2.704 123.178 120.500 -0.044 0.000 2.308 2 R HA 0.611 4.953 4.340 0.003 0.000 0.305 2 R C -1.045 175.212 176.300 -0.071 0.000 1.053 2 R CA -0.680 55.403 56.100 -0.027 0.000 0.957 2 R CB 1.393 31.704 30.300 0.019 0.000 1.022 2 R HN 0.460 nan 8.270 nan 0.000 0.461 3 V N 5.351 125.233 119.914 -0.054 0.000 2.305 3 V HA 0.221 4.342 4.120 0.003 0.000 0.275 3 V C -2.257 173.839 176.094 0.004 0.000 1.020 3 V CA -2.139 60.110 62.300 -0.085 0.000 0.811 3 V CB 1.467 33.227 31.823 -0.105 0.000 1.031 3 V HN 0.625 nan 8.190 nan 0.000 0.439 4 P HA 0.140 nan 4.420 nan 0.000 0.276 4 P C 0.650 178.051 177.300 0.168 0.000 1.264 4 P CA -0.082 63.115 63.100 0.162 0.000 0.769 4 P CB 0.446 32.335 31.700 0.316 0.000 0.840 5 F N 4.306 124.272 119.950 0.026 0.000 2.045 5 F HA -0.332 4.196 4.527 0.003 0.000 0.297 5 F C 2.240 178.064 175.800 0.039 0.000 1.114 5 F CA 2.822 60.828 58.000 0.010 0.000 1.207 5 F CB -0.782 38.215 39.000 -0.005 0.000 0.964 5 F HN 0.303 nan 8.300 nan 0.000 0.486 6 S N -0.402 115.355 115.700 0.094 0.000 2.442 6 S HA -0.235 4.236 4.470 0.003 0.000 0.236 6 S C 1.963 176.561 174.600 -0.003 0.000 1.007 6 S CA 0.867 59.053 58.200 -0.024 0.000 0.965 6 S CB -1.307 61.946 63.200 0.088 0.000 0.773 6 S HN 0.684 nan 8.310 nan 0.000 0.504 7 W N 2.068 123.292 121.300 -0.127 0.000 2.407 7 W HA 0.149 4.811 4.660 0.003 0.000 0.305 7 W C 1.881 178.241 176.519 -0.265 0.000 1.196 7 W CA 0.414 57.675 57.345 -0.140 0.000 1.311 7 W CB -1.003 28.445 29.460 -0.020 0.000 1.135 7 W HN 0.396 nan 8.180 nan 0.000 0.514 8 L N 2.115 123.336 121.223 -0.004 0.000 2.083 8 L HA -0.145 4.196 4.340 0.003 0.000 0.209 8 L C 2.370 179.118 176.870 -0.202 0.000 1.083 8 L CA 2.233 57.016 54.840 -0.095 0.000 0.752 8 L CB -1.150 40.798 42.059 -0.186 0.000 0.899 8 L HN -0.058 nan 8.230 nan 0.000 0.433 9 K N -0.920 119.262 120.400 -0.363 0.000 2.442 9 K HA -0.076 4.246 4.320 0.003 0.000 0.198 9 K C 1.817 178.253 176.600 -0.273 0.000 1.044 9 K CA 0.843 56.891 56.287 -0.398 0.000 0.948 9 K CB -0.054 32.117 32.500 -0.548 0.000 0.762 9 K HN 0.471 nan 8.250 nan 0.000 0.472 10 A N -0.198 122.427 122.820 -0.326 0.000 2.016 10 A HA -0.070 4.251 4.320 0.003 0.000 0.217 10 A C 1.173 178.521 177.584 -0.395 0.000 1.162 10 A CA 0.813 52.607 52.037 -0.404 0.000 0.662 10 A CB -0.277 18.401 19.000 -0.536 0.000 0.812 10 A HN 0.360 nan 8.150 nan 0.000 0.450 11 Y N -1.511 118.755 120.300 -0.057 0.000 2.503 11 Y HA 0.259 4.811 4.550 0.003 0.000 0.277 11 Y C 0.669 176.510 175.900 -0.098 0.000 1.102 11 Y CA -0.070 57.984 58.100 -0.078 0.000 1.261 11 Y CB 0.358 38.760 38.460 -0.096 0.000 1.096 11 Y HN -0.021 nan 8.280 nan 0.000 0.546 12 V N 3.674 123.582 119.914 -0.010 0.000 2.271 12 V HA 0.174 4.296 4.120 0.003 0.000 0.259 12 V C -1.637 174.402 176.094 -0.092 0.000 1.030 12 V CA -1.365 60.898 62.300 -0.062 0.000 0.957 12 V CB 0.815 32.531 31.823 -0.178 0.000 1.186 12 V HN 0.040 nan 8.190 nan 0.000 0.471 13 P HA -0.201 nan 4.420 nan 0.000 0.217 13 P C 0.929 178.233 177.300 0.006 0.000 1.148 13 P CA 1.394 64.468 63.100 -0.044 0.000 0.834 13 P CB 0.572 32.257 31.700 -0.025 0.000 0.783 14 E N -0.673 119.579 120.200 0.086 0.000 2.502 14 E HA 0.092 4.443 4.350 0.003 0.000 0.194 14 E C 0.543 177.280 176.600 0.229 0.000 1.062 14 E CA -0.368 56.132 56.400 0.167 0.000 0.867 14 E CB -0.416 29.423 29.700 0.231 0.000 0.888 14 E HN 0.296 nan 8.360 nan 0.000 0.510 15 L N 1.945 123.221 121.223 0.087 0.000 2.640 15 L HA -0.119 4.222 4.340 0.003 0.000 0.280 15 L C 1.229 178.248 176.870 0.249 0.000 1.229 15 L CA 0.051 54.942 54.840 0.085 0.000 0.919 15 L CB 0.365 42.341 42.059 -0.138 0.000 1.168 15 L HN 0.105 nan 8.230 nan 0.000 0.496 16 E N 1.382 121.749 120.200 0.279 0.000 2.072 16 E HA -0.086 4.266 4.350 0.003 0.000 0.191 16 E C 0.295 177.017 176.600 0.204 0.000 0.985 16 E CA 1.210 57.739 56.400 0.215 0.000 0.801 16 E CB 0.142 29.944 29.700 0.170 0.000 0.750 16 E HN 0.769 nan 8.360 nan 0.000 0.452 17 S N -3.071 112.765 115.700 0.228 0.000 2.633 17 S HA 0.146 4.618 4.470 0.003 0.000 0.271 17 S C -2.563 171.900 174.600 -0.228 0.000 1.112 17 S CA -1.091 57.070 58.200 -0.065 0.000 0.828 17 S CB 1.065 64.206 63.200 -0.100 0.000 1.086 17 S HN -0.230 nan 8.310 nan 0.000 0.461 18 P HA -0.052 nan 4.420 nan 0.000 0.218 18 P C 0.938 178.168 177.300 -0.116 0.000 1.148 18 P CA 1.502 64.332 63.100 -0.450 0.000 0.822 18 P CB -0.051 31.307 31.700 -0.571 0.000 0.784 19 E N -0.056 120.072 120.200 -0.119 0.000 2.031 19 E HA -0.105 4.247 4.350 0.003 0.000 0.193 19 E C 2.193 178.798 176.600 0.008 0.000 0.994 19 E CA 0.873 57.247 56.400 -0.044 0.000 0.800 19 E CB -1.489 28.184 29.700 -0.045 0.000 0.752 19 E HN -0.003 nan 8.360 nan 0.000 0.447 20 V N 1.026 120.958 119.914 0.030 0.000 2.407 20 V HA -0.218 3.904 4.120 0.003 0.000 0.248 20 V C 2.221 178.371 176.094 0.094 0.000 1.055 20 V CA 1.453 63.797 62.300 0.074 0.000 1.049 20 V CB -0.461 31.427 31.823 0.108 0.000 0.662 20 V HN 0.223 nan 8.190 nan 0.000 0.455 21 L N 0.808 122.098 121.223 0.112 0.000 2.012 21 L HA -0.223 4.119 4.340 0.003 0.000 0.210 21 L C 2.491 179.400 176.870 0.064 0.000 1.073 21 L CA 2.663 57.563 54.840 0.101 0.000 0.748 21 L CB -0.843 41.332 42.059 0.194 0.000 0.891 21 L HN 0.534 nan 8.230 nan 0.000 0.431 22 E N -0.635 119.599 120.200 0.056 0.000 2.085 22 E HA -0.326 4.026 4.350 0.003 0.000 0.194 22 E C 2.113 178.740 176.600 0.046 0.000 0.994 22 E CA 1.660 58.085 56.400 0.042 0.000 0.801 22 E CB -0.289 29.426 29.700 0.026 0.000 0.743 22 E HN 0.734 nan 8.360 nan 0.000 0.453 23 E N -0.065 120.163 120.200 0.046 0.000 2.031 23 E HA -0.215 4.137 4.350 0.003 0.000 0.193 23 E C 2.298 178.932 176.600 0.056 0.000 0.994 23 E CA 0.941 57.369 56.400 0.046 0.000 0.800 23 E CB 0.085 29.814 29.700 0.049 0.000 0.752 23 E HN 0.141 nan 8.360 nan 0.000 0.447 24 R N 0.220 120.765 120.500 0.075 0.000 2.091 24 R HA -0.139 4.203 4.340 0.003 0.000 0.238 24 R C 2.490 178.839 176.300 0.083 0.000 1.136 24 R CA 0.976 57.129 56.100 0.090 0.000 0.959 24 R CB -0.714 29.651 30.300 0.107 0.000 0.856 24 R HN 0.347 nan 8.270 nan 0.000 0.437 25 L N 0.018 121.292 121.223 0.083 0.000 2.156 25 L HA -0.032 4.309 4.340 0.003 0.000 0.208 25 L C 2.628 179.591 176.870 0.155 0.000 1.095 25 L CA 0.904 55.837 54.840 0.155 0.000 0.770 25 L CB -0.590 41.538 42.059 0.114 0.000 0.914 25 L HN 0.119 nan 8.230 nan 0.000 0.439 26 A N 0.670 123.533 122.820 0.073 0.000 1.877 26 A HA -0.128 4.194 4.320 0.003 0.000 0.216 26 A C 2.416 179.971 177.584 -0.047 0.000 1.186 26 A CA 1.773 53.820 52.037 0.018 0.000 0.620 26 A CB -1.265 17.742 19.000 0.011 0.000 0.822 26 A HN 0.412 nan 8.150 nan 0.000 0.443 27 G N -0.471 108.309 108.800 -0.033 0.000 2.432 27 G HA2 -0.115 3.847 3.960 0.003 0.000 0.219 27 G HA3 -0.115 3.847 3.960 0.003 0.000 0.219 27 G C 1.448 176.262 174.900 -0.144 0.000 1.135 27 G CA 0.948 45.993 45.100 -0.091 0.000 0.767 27 G HN 0.437 nan 8.290 nan 0.000 0.550 28 L N -0.089 121.109 121.223 -0.042 0.000 2.395 28 L HA 0.230 4.571 4.340 0.003 0.000 0.218 28 L C 1.876 178.595 176.870 -0.250 0.000 1.130 28 L CA 0.639 55.462 54.840 -0.029 0.000 0.826 28 L CB 0.075 42.258 42.059 0.207 0.000 0.941 28 L HN 0.405 nan 8.230 nan 0.000 0.451 29 G N -0.479 108.127 108.800 -0.324 0.000 2.151 29 G HA2 -0.213 3.748 3.960 0.003 0.000 0.156 29 G HA3 -0.213 3.748 3.960 0.003 0.000 0.156 29 G C -0.350 174.093 174.900 -0.762 0.000 1.017 29 G CA -0.769 44.005 45.100 -0.543 0.000 0.686 29 G HN 0.109 nan 8.290 nan 0.000 0.503 30 F N 0.929 120.844 119.950 -0.059 0.000 2.577 30 F HA 0.515 5.044 4.527 0.003 0.000 0.344 30 F C 0.218 175.999 175.800 -0.033 0.000 1.145 30 F CA -1.147 56.829 58.000 -0.040 0.000 0.996 30 F CB 1.823 40.799 39.000 -0.041 0.000 1.248 30 F HN 0.140 nan 8.300 nan 0.000 0.447 31 E N 1.979 122.244 120.200 0.109 0.000 2.229 31 E HA 0.273 4.625 4.350 0.003 0.000 0.283 31 E C -0.309 176.333 176.600 0.071 0.000 1.030 31 E CA -0.357 56.081 56.400 0.064 0.000 0.836 31 E CB 1.090 30.807 29.700 0.029 0.000 1.068 31 E HN 0.587 nan 8.360 nan 0.000 0.401 32 T N 2.107 116.693 114.554 0.052 0.000 2.744 32 T HA 0.156 4.507 4.350 0.003 0.000 0.291 32 T C 0.434 175.150 174.700 0.026 0.000 0.957 32 T CA -0.807 61.316 62.100 0.039 0.000 1.002 32 T CB 1.059 69.945 68.868 0.030 0.000 0.919 32 T HN 0.381 nan 8.240 nan 0.000 0.468 33 D N 3.274 123.688 120.400 0.023 0.000 2.183 33 D HA 0.027 4.669 4.640 0.003 0.000 0.203 33 D C 1.145 177.453 176.300 0.013 0.000 0.969 33 D CA 0.926 54.937 54.000 0.018 0.000 0.842 33 D CB 0.269 41.080 40.800 0.018 0.000 0.957 33 D HN 0.825 nan 8.370 nan 0.000 0.484 34 R N -0.695 119.811 120.500 0.011 0.000 2.712 34 R HA 0.562 4.903 4.340 0.003 0.000 0.272 34 R C -1.915 174.386 176.300 0.002 0.000 1.032 34 R CA -0.685 55.418 56.100 0.005 0.000 0.874 34 R CB 0.735 31.039 30.300 0.005 0.000 1.256 34 R HN -0.173 nan 8.270 nan 0.000 0.468 35 I N 1.284 121.850 120.570 -0.006 0.000 2.466 35 I HA 0.391 4.562 4.170 0.003 0.000 0.289 35 I C -0.567 175.536 176.117 -0.022 0.000 1.026 35 I CA -0.756 60.535 61.300 -0.015 0.000 1.078 35 I CB 2.256 40.242 38.000 -0.024 0.000 1.249 35 I HN 0.583 nan 8.210 nan 0.000 0.429 36 E N 4.954 125.138 120.200 -0.027 0.000 2.256 36 E HA 0.483 4.834 4.350 0.003 0.000 0.267 36 E C -0.974 175.591 176.600 -0.059 0.000 0.892 36 E CA -1.071 55.308 56.400 -0.036 0.000 0.775 36 E CB 3.274 32.958 29.700 -0.028 0.000 1.207 36 E HN 0.405 nan 8.360 nan 0.000 0.420 37 R N 1.501 121.966 120.500 -0.058 0.000 2.265 37 R HA 0.246 4.587 4.340 0.003 0.000 0.319 37 R C 0.445 176.691 176.300 -0.090 0.000 1.006 37 R CA -0.106 55.951 56.100 -0.071 0.000 0.880 37 R CB 0.736 31.010 30.300 -0.043 0.000 1.077 37 R HN 0.447 nan 8.270 nan 0.000 0.454 38 V N 1.368 121.169 119.914 -0.188 0.000 3.539 38 V HA 0.384 4.505 4.120 0.003 0.000 0.262 38 V C -0.135 175.903 176.094 -0.093 0.000 1.381 38 V CA 0.039 62.191 62.300 -0.248 0.000 1.060 38 V CB 0.260 31.788 31.823 -0.491 0.000 0.842 38 V HN 0.488 nan 8.190 nan 0.000 0.445 39 F N 4.253 124.287 119.950 0.139 0.000 2.550 39 F HA 0.574 5.103 4.527 0.003 0.000 0.312 39 F C -2.495 173.349 175.800 0.073 0.000 1.256 39 F CA -3.778 54.305 58.000 0.139 0.000 1.182 39 F CB 0.249 39.460 39.000 0.351 0.000 1.383 39 F HN 0.117 nan 8.300 nan 0.000 0.541 40 P HA 0.214 nan 4.420 nan 0.000 0.276 40 P C -0.290 177.043 177.300 0.055 0.000 1.264 40 P CA 0.338 63.499 63.100 0.102 0.000 0.769 40 P CB 1.337 33.074 31.700 0.060 0.000 0.840 41 I N 6.188 126.783 120.570 0.041 0.000 2.410 41 I HA 0.289 4.461 4.170 0.003 0.000 0.286 41 I C -2.099 174.016 176.117 -0.004 0.000 1.009 41 I CA -2.749 58.540 61.300 -0.018 0.000 1.111 41 I CB 1.896 39.859 38.000 -0.062 0.000 1.262 41 I HN 0.098 nan 8.210 nan 0.000 0.443 42 P HA 0.107 nan 4.420 nan 0.000 0.270 42 P C 0.605 177.903 177.300 -0.003 0.000 1.227 42 P CA -0.312 62.782 63.100 -0.010 0.000 0.788 42 P CB 0.777 32.464 31.700 -0.022 0.000 0.926 43 R N 1.124 121.626 120.500 0.004 0.000 2.115 43 R HA -0.076 4.265 4.340 0.003 0.000 0.230 43 R C 2.135 178.441 176.300 0.009 0.000 1.111 43 R CA 1.678 57.785 56.100 0.012 0.000 0.976 43 R CB -1.059 29.249 30.300 0.014 0.000 0.870 43 R HN 0.709 nan 8.270 nan 0.000 0.445 44 G N 0.095 108.893 108.800 -0.004 0.000 2.527 44 G HA2 -0.092 3.870 3.960 0.003 0.000 0.219 44 G HA3 -0.092 3.870 3.960 0.003 0.000 0.219 44 G C 0.274 175.168 174.900 -0.011 0.000 1.117 44 G CA 0.291 45.384 45.100 -0.011 0.000 0.759 44 G HN 0.131 nan 8.290 nan 0.000 0.556 45 V N 1.424 121.333 119.914 -0.010 0.000 2.385 45 V HA 0.431 4.552 4.120 0.003 0.000 0.269 45 V C 0.369 176.482 176.094 0.031 0.000 1.043 45 V CA -0.638 61.657 62.300 -0.008 0.000 0.906 45 V CB 0.918 32.719 31.823 -0.037 0.000 0.995 45 V HN 0.235 nan 8.190 nan 0.000 0.467 46 V N 3.208 123.154 119.914 0.052 0.000 3.113 46 V HA 0.695 4.816 4.120 0.003 0.000 0.316 46 V C -0.619 175.568 176.094 0.156 0.000 1.125 46 V CA -1.091 61.272 62.300 0.105 0.000 1.026 46 V CB 2.021 33.901 31.823 0.096 0.000 1.080 46 V HN 0.537 nan 8.190 nan 0.000 0.444 47 F N 2.081 122.074 119.950 0.072 0.000 2.429 47 F HA 0.774 5.303 4.527 0.003 0.000 0.348 47 F C 0.311 176.167 175.800 0.094 0.000 1.109 47 F CA 0.402 58.470 58.000 0.114 0.000 1.232 47 F CB 0.597 39.651 39.000 0.091 0.000 1.157 47 F HN 1.056 nan 8.300 nan 0.000 0.564 48 A N 6.398 128.753 122.820 -0.775 0.000 2.539 48 A HA 0.705 5.027 4.320 0.003 0.000 0.296 48 A C -1.207 175.936 177.584 -0.736 0.000 1.073 48 A CA -0.993 50.728 52.037 -0.528 0.000 0.700 48 A CB 1.451 20.309 19.000 -0.237 0.000 1.296 48 A HN 0.869 nan 8.150 nan 0.000 0.405 49 R N 1.165 121.445 120.500 -0.366 0.000 2.460 49 R HA 0.605 4.947 4.340 0.003 0.000 0.303 49 R C -1.486 174.734 176.300 -0.134 0.000 0.968 49 R CA -0.422 55.548 56.100 -0.217 0.000 0.889 49 R CB 1.445 31.719 30.300 -0.043 0.000 1.123 49 R HN 0.473 nan 8.270 nan 0.000 0.455 50 V N 7.460 127.307 119.914 -0.111 0.000 2.356 50 V HA 0.071 4.193 4.120 0.003 0.000 0.258 50 V C 1.349 177.407 176.094 -0.061 0.000 1.065 50 V CA -0.094 62.154 62.300 -0.087 0.000 0.935 50 V CB 0.793 32.561 31.823 -0.090 0.000 1.061 50 V HN 0.863 nan 8.190 nan 0.000 0.484 51 L N 2.225 123.419 121.223 -0.050 0.000 2.072 51 L HA 0.122 4.464 4.340 0.003 0.000 0.205 51 L C 0.981 177.815 176.870 -0.060 0.000 1.079 51 L CA 1.212 56.031 54.840 -0.035 0.000 0.752 51 L CB 0.086 42.136 42.059 -0.015 0.000 0.906 51 L HN 0.626 nan 8.230 nan 0.000 0.436 52 E N -1.167 118.976 120.200 -0.095 0.000 2.390 52 E HA 0.593 4.945 4.350 0.003 0.000 0.280 52 E C -1.727 174.700 176.600 -0.289 0.000 0.992 52 E CA -0.418 55.857 56.400 -0.209 0.000 0.790 52 E CB 1.893 31.448 29.700 -0.243 0.000 1.248 52 E HN 0.030 nan 8.360 nan 0.000 0.447 53 A N 3.273 125.868 122.820 -0.376 0.000 2.310 53 A HA 0.650 4.971 4.320 0.003 0.000 0.304 53 A C -1.441 175.937 177.584 -0.343 0.000 1.231 53 A CA -0.542 51.332 52.037 -0.272 0.000 0.799 53 A CB 0.156 19.070 19.000 -0.143 0.000 1.162 53 A HN 0.644 nan 8.150 nan 0.000 0.486 54 H N 3.232 122.293 119.070 -0.014 0.000 2.459 54 H HA 0.505 5.062 4.556 0.003 0.000 0.332 54 H C -2.453 172.869 175.328 -0.011 0.000 1.094 54 H CA -1.611 54.431 56.048 -0.011 0.000 1.224 54 H CB 1.862 31.618 29.762 -0.010 0.000 1.449 54 H HN 0.472 nan 8.280 nan 0.000 0.484 55 P HA 0.097 nan 4.420 nan 0.000 0.280 55 P C -0.351 176.980 177.300 0.051 0.000 1.244 55 P CA -0.118 63.015 63.100 0.054 0.000 0.784 55 P CB 1.364 33.085 31.700 0.036 0.000 0.913 56 I N 5.474 126.063 120.570 0.031 0.000 2.301 56 I HA 0.170 4.342 4.170 0.003 0.000 0.292 56 I C -1.904 174.220 176.117 0.012 0.000 1.046 56 I CA -2.565 58.747 61.300 0.020 0.000 1.282 56 I CB 0.623 38.631 38.000 0.014 0.000 1.409 56 I HN 0.116 nan 8.210 nan 0.000 0.484 57 P HA -0.085 nan 4.420 nan 0.000 0.259 57 P C 0.867 178.168 177.300 0.002 0.000 1.155 57 P CA 0.867 63.970 63.100 0.005 0.000 0.759 57 P CB 0.328 32.029 31.700 0.001 0.000 0.753 58 G N 1.599 110.400 108.800 0.003 0.000 2.162 58 G HA2 -0.210 3.752 3.960 0.003 0.000 0.260 58 G HA3 -0.210 3.752 3.960 0.003 0.000 0.260 58 G C 0.272 175.172 174.900 0.001 0.000 0.976 58 G CA 0.439 45.539 45.100 0.001 0.000 0.655 58 G HN 0.891 nan 8.290 nan 0.000 0.533 59 T N -3.915 110.640 114.554 0.002 0.000 2.864 59 T HA 0.715 5.067 4.350 0.003 0.000 0.289 59 T C 0.484 175.185 174.700 0.001 0.000 1.082 59 T CA -0.665 61.435 62.100 0.000 0.000 1.009 59 T CB 1.670 70.538 68.868 -0.000 0.000 1.234 59 T HN 0.116 nan 8.240 nan 0.000 0.526 60 R N 0.387 120.886 120.500 -0.001 0.000 2.586 60 R HA 0.418 4.760 4.340 0.003 0.000 0.306 60 R C -0.223 176.074 176.300 -0.004 0.000 1.079 60 R CA -0.193 55.906 56.100 -0.002 0.000 1.083 60 R CB -0.231 30.067 30.300 -0.004 0.000 1.306 60 R HN 0.471 nan 8.270 nan 0.000 0.567 61 L N 0.153 121.375 121.223 -0.002 0.000 2.313 61 L HA 0.528 4.870 4.340 0.003 0.000 0.268 61 L C -0.137 176.736 176.870 0.004 0.000 1.010 61 L CA -1.029 53.809 54.840 -0.003 0.000 0.814 61 L CB 1.660 43.717 42.059 -0.004 0.000 1.304 61 L HN -0.117 nan 8.230 nan 0.000 0.441 62 K N 0.760 121.162 120.400 0.003 0.000 2.422 62 K HA 0.457 4.778 4.320 0.003 0.000 0.251 62 K C -1.122 175.490 176.600 0.021 0.000 0.933 62 K CA -0.858 55.437 56.287 0.013 0.000 0.798 62 K CB 2.887 35.384 32.500 -0.005 0.000 1.238 62 K HN 0.418 nan 8.250 nan 0.000 0.428 63 R N 4.065 124.598 120.500 0.054 0.000 2.207 63 R HA 0.297 4.639 4.340 0.003 0.000 0.334 63 R C -1.013 175.330 176.300 0.072 0.000 1.013 63 R CA -0.408 55.732 56.100 0.066 0.000 0.858 63 R CB 0.296 30.651 30.300 0.090 0.000 1.094 63 R HN 0.526 nan 8.270 nan 0.000 0.457 64 L N 5.141 126.382 121.223 0.030 0.000 2.275 64 L HA 0.392 4.734 4.340 0.003 0.000 0.288 64 L C -0.401 176.481 176.870 0.020 0.000 1.046 64 L CA -1.181 53.659 54.840 -0.001 0.000 0.805 64 L CB 1.835 43.875 42.059 -0.031 0.000 1.193 64 L HN 0.367 nan 8.230 nan 0.000 0.426 65 V N 5.413 125.338 119.914 0.018 0.000 2.348 65 V HA 0.342 4.464 4.120 0.003 0.000 0.270 65 V C 0.297 176.385 176.094 -0.010 0.000 1.037 65 V CA -0.248 62.069 62.300 0.029 0.000 0.872 65 V CB 1.069 32.935 31.823 0.071 0.000 1.002 65 V HN 0.515 nan 8.190 nan 0.000 0.464 66 L N 3.697 124.912 121.223 -0.013 0.000 2.331 66 L HA 0.622 4.964 4.340 0.003 0.000 0.275 66 L C -0.333 176.521 176.870 -0.027 0.000 1.022 66 L CA -0.666 54.153 54.840 -0.035 0.000 0.812 66 L CB 1.927 43.961 42.059 -0.042 0.000 1.257 66 L HN 0.498 nan 8.230 nan 0.000 0.435 67 D N 2.110 122.488 120.400 -0.037 0.000 2.427 67 D HA 0.468 5.110 4.640 0.003 0.000 0.226 67 D C -0.281 176.007 176.300 -0.019 0.000 1.076 67 D CA -0.275 53.715 54.000 -0.016 0.000 0.849 67 D CB 1.731 42.530 40.800 -0.001 0.000 1.052 67 D HN 0.586 nan 8.370 nan 0.000 0.515 68 A N 2.832 125.652 122.820 0.001 0.000 2.812 68 A HA 0.657 4.979 4.320 0.003 0.000 0.294 68 A C 1.150 178.761 177.584 0.045 0.000 1.014 68 A CA 0.244 52.293 52.037 0.021 0.000 1.024 68 A CB -0.164 18.851 19.000 0.025 0.000 1.162 68 A HN 0.869 nan 8.150 nan 0.000 0.511 69 G N 1.030 109.856 108.800 0.043 0.000 4.391 69 G HA2 -0.236 3.725 3.960 0.003 0.000 0.210 69 G HA3 -0.236 3.725 3.960 0.003 0.000 0.210 69 G C 0.416 175.327 174.900 0.018 0.000 1.547 69 G CA -0.036 45.089 45.100 0.040 0.000 1.103 69 G HN 1.113 nan 8.290 nan 0.000 0.637 70 R N 0.699 121.203 120.500 0.006 0.000 2.674 70 R HA 0.720 5.061 4.340 0.003 0.000 0.266 70 R C -0.728 175.555 176.300 -0.028 0.000 1.016 70 R CA -0.193 55.894 56.100 -0.021 0.000 1.062 70 R CB 0.724 30.997 30.300 -0.046 0.000 1.142 70 R HN 0.173 nan 8.270 nan 0.000 0.517 71 T N 1.578 116.107 114.554 -0.042 0.000 2.832 71 T HA 0.352 4.704 4.350 0.003 0.000 0.296 71 T C -0.018 174.641 174.700 -0.068 0.000 0.968 71 T CA -0.561 61.516 62.100 -0.039 0.000 1.107 71 T CB 0.903 69.753 68.868 -0.030 0.000 0.916 71 T HN 0.484 nan 8.240 nan 0.000 0.517 72 V N 1.171 121.061 119.914 -0.040 0.000 3.040 72 V HA 0.768 4.890 4.120 0.003 0.000 0.312 72 V C -0.695 175.406 176.094 0.011 0.000 1.115 72 V CA -1.186 61.090 62.300 -0.040 0.000 0.998 72 V CB 2.231 34.082 31.823 0.047 0.000 1.042 72 V HN 0.769 nan 8.190 nan 0.000 0.433 73 E N 0.595 120.817 120.200 0.037 0.000 2.221 73 E HA 0.840 5.192 4.350 0.003 0.000 0.268 73 E C -1.661 174.987 176.600 0.080 0.000 0.933 73 E CA -0.682 55.748 56.400 0.050 0.000 0.809 73 E CB 2.281 32.002 29.700 0.036 0.000 1.190 73 E HN 0.743 nan 8.360 nan 0.000 0.406 74 V N 2.800 122.744 119.914 0.050 0.000 2.969 74 V HA 0.290 4.411 4.120 0.003 0.000 0.304 74 V C -1.038 175.065 176.094 0.016 0.000 1.192 74 V CA -0.828 61.493 62.300 0.036 0.000 0.962 74 V CB 2.318 34.151 31.823 0.016 0.000 1.045 74 V HN 0.471 nan 8.190 nan 0.000 0.428 75 V N 2.904 122.821 119.914 0.006 0.000 2.472 75 V HA 0.791 4.913 4.120 0.003 0.000 0.290 75 V C 0.027 176.110 176.094 -0.017 0.000 1.037 75 V CA -0.086 62.213 62.300 -0.001 0.000 0.908 75 V CB 1.806 33.630 31.823 0.001 0.000 0.985 75 V HN 0.890 nan 8.190 nan 0.000 0.454 76 S N 2.470 118.158 115.700 -0.020 0.000 2.540 76 S HA 0.658 5.129 4.470 0.003 0.000 0.275 76 S C 0.523 175.107 174.600 -0.027 0.000 1.123 76 S CA 0.149 58.331 58.200 -0.032 0.000 0.907 76 S CB 1.888 65.062 63.200 -0.042 0.000 1.081 76 S HN 0.962 nan 8.310 nan 0.000 0.476 77 G N 1.509 110.290 108.800 -0.031 0.000 3.159 77 G HA2 0.478 4.440 3.960 0.003 0.000 0.232 77 G HA3 0.478 4.440 3.960 0.003 0.000 0.232 77 G C 0.411 175.294 174.900 -0.027 0.000 1.116 77 G CA 0.272 45.357 45.100 -0.026 0.000 0.767 77 G HN 1.073 nan 8.290 nan 0.000 0.547 78 A N 0.927 123.726 122.820 -0.034 0.000 2.484 78 A HA 0.362 4.683 4.320 0.003 0.000 0.268 78 A C 1.435 179.009 177.584 -0.016 0.000 1.114 78 A CA -0.129 51.890 52.037 -0.030 0.000 0.780 78 A CB 0.361 19.335 19.000 -0.042 0.000 1.061 78 A HN 0.243 nan 8.150 nan 0.000 0.505 79 E N 2.353 122.552 120.200 -0.002 0.000 2.219 79 E HA -0.257 4.095 4.350 0.003 0.000 0.198 79 E C 1.357 177.957 176.600 0.001 0.000 0.998 79 E CA 1.989 58.392 56.400 0.004 0.000 0.818 79 E CB -0.180 29.531 29.700 0.017 0.000 0.741 79 E HN 1.026 nan 8.360 nan 0.000 0.477 80 N N -0.117 118.586 118.700 0.005 0.000 2.398 80 N HA 0.133 4.874 4.740 0.003 0.000 0.188 80 N C 0.438 175.932 175.510 -0.027 0.000 1.122 80 N CA 0.221 53.268 53.050 -0.005 0.000 0.866 80 N CB 0.259 38.751 38.487 0.008 0.000 0.970 80 N HN -0.100 nan 8.380 nan 0.000 0.462 81 A N 1.902 124.701 122.820 -0.034 0.000 2.522 81 A HA 0.257 4.578 4.320 0.003 0.000 0.256 81 A C 0.269 177.823 177.584 -0.050 0.000 1.086 81 A CA -0.266 51.741 52.037 -0.051 0.000 0.763 81 A CB -0.059 18.911 19.000 -0.050 0.000 1.024 81 A HN 0.663 nan 8.150 nan 0.000 0.502 82 R N 1.527 121.992 120.500 -0.059 0.000 2.690 82 R HA 0.484 4.825 4.340 0.003 0.000 0.269 82 R C -0.905 175.355 176.300 -0.067 0.000 1.037 82 R CA -1.056 55.009 56.100 -0.059 0.000 0.877 82 R CB 0.890 31.164 30.300 -0.043 0.000 1.255 82 R HN 0.677 nan 8.270 nan 0.000 0.467 83 K N -0.050 120.305 120.400 -0.074 0.000 2.219 83 K HA 0.499 4.820 4.320 0.003 0.000 0.258 83 K C 0.608 177.182 176.600 -0.043 0.000 1.008 83 K CA 0.306 56.552 56.287 -0.069 0.000 0.928 83 K CB 0.775 33.227 32.500 -0.081 0.000 0.983 83 K HN 0.923 nan 8.250 nan 0.000 0.484 84 G N 0.931 109.712 108.800 -0.031 0.000 2.141 84 G HA2 -0.209 3.752 3.960 0.003 0.000 0.231 84 G HA3 -0.209 3.752 3.960 0.003 0.000 0.231 84 G C -0.102 174.802 174.900 0.006 0.000 0.984 84 G CA 0.289 45.384 45.100 -0.008 0.000 0.660 84 G HN 0.906 nan 8.290 nan 0.000 0.525 85 I N -2.379 118.185 120.570 -0.010 0.000 3.042 85 I HA 0.921 5.092 4.170 0.003 0.000 0.310 85 I C 0.438 176.546 176.117 -0.016 0.000 1.117 85 I CA -1.040 60.264 61.300 0.008 0.000 1.003 85 I CB 1.985 39.971 38.000 -0.025 0.000 1.228 85 I HN 0.230 nan 8.210 nan 0.000 0.443 86 G N 2.050 110.888 108.800 0.063 0.000 2.412 86 G HA2 0.661 4.623 3.960 0.003 0.000 0.318 86 G HA3 0.661 4.623 3.960 0.003 0.000 0.318 86 G C -0.537 174.262 174.900 -0.167 0.000 1.146 86 G CA -0.460 44.612 45.100 -0.047 0.000 0.882 86 G HN 1.079 nan 8.290 nan 0.000 0.501 87 V N -2.264 117.452 119.914 -0.329 0.000 3.182 87 V HA 0.900 5.022 4.120 0.003 0.000 0.308 87 V C -0.108 175.893 176.094 -0.155 0.000 1.240 87 V CA -1.161 60.928 62.300 -0.352 0.000 1.063 87 V CB 1.489 33.152 31.823 -0.267 0.000 1.076 87 V HN 1.421 nan 8.190 nan 0.000 0.446 88 A N 2.033 124.761 122.820 -0.154 0.000 2.341 88 A HA 0.713 5.034 4.320 0.003 0.000 0.326 88 A C -0.485 177.067 177.584 -0.054 0.000 1.402 88 A CA -0.358 51.696 52.037 0.029 0.000 0.957 88 A CB -0.026 18.976 19.000 0.003 0.000 1.151 88 A HN 1.028 nan 8.150 nan 0.000 0.533 89 L N 3.116 124.320 121.223 -0.032 0.000 2.276 89 L HA 0.573 4.914 4.340 0.003 0.000 0.286 89 L C 0.396 177.245 176.870 -0.035 0.000 1.061 89 L CA -0.404 54.410 54.840 -0.042 0.000 0.807 89 L CB 1.287 43.330 42.059 -0.027 0.000 1.177 89 L HN 0.698 nan 8.230 nan 0.000 0.429 90 A N 7.109 129.893 122.820 -0.059 0.000 2.341 90 A HA 0.465 4.786 4.320 0.003 0.000 0.326 90 A C -0.235 177.293 177.584 -0.093 0.000 1.402 90 A CA -0.584 51.410 52.037 -0.070 0.000 0.957 90 A CB 0.114 19.063 19.000 -0.084 0.000 1.151 90 A HN 0.751 nan 8.150 nan 0.000 0.533 91 L N 3.802 124.976 121.223 -0.081 0.000 2.467 91 L HA 0.223 4.564 4.340 0.003 0.000 0.270 91 L C -1.650 175.083 176.870 -0.230 0.000 1.205 91 L CA -1.511 53.243 54.840 -0.143 0.000 0.828 91 L CB 0.412 42.442 42.059 -0.049 0.000 1.101 91 L HN 0.471 nan 8.230 nan 0.000 0.479 92 P HA 0.018 nan 4.420 nan 0.000 0.265 92 P C 0.589 177.766 177.300 -0.204 0.000 1.193 92 P CA 0.616 63.503 63.100 -0.355 0.000 0.765 92 P CB 0.983 32.348 31.700 -0.559 0.000 0.823 93 G N 1.509 110.227 108.800 -0.137 0.000 2.184 93 G HA2 -0.159 3.803 3.960 0.003 0.000 0.206 93 G HA3 -0.159 3.803 3.960 0.003 0.000 0.206 93 G C 0.194 175.055 174.900 -0.066 0.000 0.995 93 G CA -0.191 44.858 45.100 -0.084 0.000 0.651 93 G HN 0.618 nan 8.290 nan 0.000 0.511 94 T N 2.003 116.511 114.554 -0.077 0.000 2.910 94 T HA 0.497 4.849 4.350 0.003 0.000 0.293 94 T C -0.151 174.517 174.700 -0.055 0.000 1.015 94 T CA -0.010 62.054 62.100 -0.060 0.000 1.094 94 T CB 1.435 70.263 68.868 -0.066 0.000 0.968 94 T HN 0.226 nan 8.240 nan 0.000 0.521 95 E N 2.983 123.157 120.200 -0.043 0.000 2.073 95 E HA 0.261 4.613 4.350 0.003 0.000 0.269 95 E C -0.492 176.084 176.600 -0.041 0.000 0.917 95 E CA -0.327 56.050 56.400 -0.039 0.000 0.757 95 E CB 1.208 30.891 29.700 -0.028 0.000 1.111 95 E HN 0.472 nan 8.360 nan 0.000 0.410 96 L N 4.455 125.649 121.223 -0.048 0.000 2.331 96 L HA 0.155 4.497 4.340 0.003 0.000 0.278 96 L C -1.291 175.554 176.870 -0.041 0.000 1.106 96 L CA -1.724 53.084 54.840 -0.052 0.000 0.824 96 L CB 0.525 42.545 42.059 -0.064 0.000 1.142 96 L HN 0.184 nan 8.230 nan 0.000 0.443 97 P HA -0.220 nan 4.420 nan 0.000 0.221 97 P C 0.848 178.135 177.300 -0.021 0.000 1.153 97 P CA 1.361 64.447 63.100 -0.023 0.000 0.858 97 P CB 0.242 31.931 31.700 -0.019 0.000 0.783 98 G N -2.459 106.324 108.800 -0.029 0.000 4.424 98 G HA2 0.310 4.271 3.960 0.003 0.000 0.287 98 G HA3 0.310 4.271 3.960 0.003 0.000 0.287 98 G C 0.331 175.213 174.900 -0.030 0.000 1.023 98 G CA -0.161 44.924 45.100 -0.025 0.000 0.790 98 G HN 0.251 nan 8.290 nan 0.000 0.468 99 L N -3.729 117.474 121.223 -0.034 0.000 3.086 99 L HA 0.558 4.900 4.340 0.003 0.000 0.274 99 L C 1.642 178.493 176.870 -0.032 0.000 1.184 99 L CA 0.507 55.326 54.840 -0.036 0.000 1.002 99 L CB 0.012 42.044 42.059 -0.044 0.000 1.383 99 L HN 0.154 nan 8.230 nan 0.000 0.582 100 G N 0.166 108.949 108.800 -0.029 0.000 2.271 100 G HA2 -0.334 3.628 3.960 0.003 0.000 0.277 100 G HA3 -0.334 3.628 3.960 0.003 0.000 0.277 100 G C 0.512 175.395 174.900 -0.028 0.000 1.004 100 G CA 1.281 46.365 45.100 -0.026 0.000 0.679 100 G HN 0.523 nan 8.290 nan 0.000 0.540 101 Q N 0.326 120.106 119.800 -0.033 0.000 2.771 101 Q HA 0.265 4.606 4.340 0.003 0.000 0.239 101 Q C 0.576 176.551 176.000 -0.043 0.000 1.231 101 Q CA -0.374 55.407 55.803 -0.036 0.000 1.056 101 Q CB 0.687 29.403 28.738 -0.036 0.000 1.284 101 Q HN 0.636 nan 8.270 nan 0.000 0.558 102 K N 1.192 121.567 120.400 -0.041 0.000 2.419 102 K HA -0.131 4.191 4.320 0.003 0.000 0.258 102 K C -0.344 176.219 176.600 -0.062 0.000 1.089 102 K CA 0.043 56.301 56.287 -0.049 0.000 1.180 102 K CB 0.342 32.816 32.500 -0.043 0.000 0.778 102 K HN 0.177 nan 8.250 nan 0.000 0.492 103 V N 4.192 124.061 119.914 -0.074 0.000 2.617 103 V HA 0.134 4.256 4.120 0.003 0.000 0.304 103 V C 1.201 177.225 176.094 -0.117 0.000 1.040 103 V CA 0.927 63.171 62.300 -0.093 0.000 1.149 103 V CB 0.798 32.559 31.823 -0.104 0.000 0.914 103 V HN 0.936 nan 8.190 nan 0.000 0.487 104 G N 3.380 112.107 108.800 -0.122 0.000 2.730 104 G HA2 0.572 4.533 3.960 0.003 0.000 0.289 104 G HA3 0.572 4.533 3.960 0.003 0.000 0.289 104 G C -0.964 173.832 174.900 -0.172 0.000 1.341 104 G CA -0.634 44.380 45.100 -0.143 0.000 0.932 104 G HN 0.695 nan 8.290 nan 0.000 0.481 105 E N -0.191 119.895 120.200 -0.190 0.000 2.223 105 E HA 0.435 4.786 4.350 0.003 0.000 0.282 105 E C 0.175 176.744 176.600 -0.051 0.000 1.046 105 E CA -0.461 55.848 56.400 -0.152 0.000 0.857 105 E CB 0.527 30.162 29.700 -0.108 0.000 1.055 105 E HN 0.576 nan 8.360 nan 0.000 0.409 106 R N 1.645 122.127 120.500 -0.030 0.000 2.771 106 R HA 0.474 4.816 4.340 0.003 0.000 0.274 106 R C -1.477 174.826 176.300 0.004 0.000 0.987 106 R CA -0.959 55.133 56.100 -0.013 0.000 0.908 106 R CB 1.310 31.594 30.300 -0.026 0.000 1.213 106 R HN 0.219 nan 8.270 nan 0.000 0.468 107 V N 3.658 123.576 119.914 0.006 0.000 2.455 107 V HA 0.324 4.445 4.120 0.003 0.000 0.273 107 V C 0.111 176.206 176.094 0.001 0.000 1.045 107 V CA -0.087 62.218 62.300 0.009 0.000 0.976 107 V CB 0.642 32.469 31.823 0.008 0.000 0.993 107 V HN 0.561 nan 8.190 nan 0.000 0.475 108 I N 4.453 125.025 120.570 0.003 0.000 2.533 108 I HA 0.343 4.515 4.170 0.003 0.000 0.290 108 I C -0.090 176.027 176.117 -0.000 0.000 1.056 108 I CA -0.775 60.524 61.300 -0.002 0.000 1.057 108 I CB 2.053 40.050 38.000 -0.005 0.000 1.240 108 I HN 0.469 nan 8.210 nan 0.000 0.423 109 Q N 4.648 124.447 119.800 -0.002 0.000 2.388 109 Q HA -0.258 4.084 4.340 0.003 0.000 0.346 109 Q C 1.111 177.111 176.000 -0.001 0.000 1.319 109 Q CA 1.245 57.047 55.803 -0.002 0.000 1.023 109 Q CB -1.271 27.466 28.738 -0.002 0.000 1.247 109 Q HN 1.252 nan 8.270 nan 0.000 0.411 110 G N -2.389 106.410 108.800 -0.001 0.000 2.225 110 G HA2 -0.322 3.640 3.960 0.003 0.000 0.254 110 G HA3 -0.322 3.640 3.960 0.003 0.000 0.254 110 G C 0.142 175.042 174.900 0.001 0.000 0.988 110 G CA 0.570 45.669 45.100 -0.001 0.000 0.625 110 G HN 1.119 nan 8.290 nan 0.000 0.527 111 V N -0.169 119.749 119.914 0.006 0.000 2.769 111 V HA 0.835 4.956 4.120 0.003 0.000 0.312 111 V C 0.209 176.316 176.094 0.021 0.000 1.061 111 V CA -1.275 61.032 62.300 0.011 0.000 0.931 111 V CB 1.473 33.304 31.823 0.013 0.000 1.010 111 V HN 0.318 nan 8.190 nan 0.000 0.433 112 R N 3.581 124.100 120.500 0.032 0.000 2.242 112 R HA 0.354 4.695 4.340 0.003 0.000 0.334 112 R C 0.041 176.389 176.300 0.080 0.000 1.071 112 R CA 0.100 56.234 56.100 0.056 0.000 0.922 112 R CB 1.021 31.363 30.300 0.069 0.000 1.023 112 R HN 0.768 nan 8.270 nan 0.000 0.458 113 S N 3.980 119.719 115.700 0.065 0.000 2.399 113 S HA 0.136 4.608 4.470 0.003 0.000 0.301 113 S C -0.505 174.149 174.600 0.091 0.000 1.093 113 S CA -0.603 57.636 58.200 0.064 0.000 1.077 113 S CB 0.069 63.278 63.200 0.015 0.000 0.980 113 S HN 0.446 nan 8.310 nan 0.000 0.494 114 F N 6.223 126.161 119.950 -0.020 0.000 2.652 114 F HA 0.478 5.007 4.527 0.003 0.000 0.352 114 F C 1.099 176.884 175.800 -0.025 0.000 1.259 114 F CA 0.820 58.808 58.000 -0.020 0.000 1.249 114 F CB -0.816 38.174 39.000 -0.017 0.000 1.628 114 F HN 0.888 nan 8.300 nan 0.000 0.654 115 G N 3.979 112.635 108.800 -0.240 0.000 2.587 115 G HA2 -0.100 3.862 3.960 0.003 0.000 0.212 115 G HA3 -0.100 3.862 3.960 0.003 0.000 0.212 115 G C -0.914 173.930 174.900 -0.094 0.000 1.327 115 G CA -0.376 44.604 45.100 -0.200 0.000 0.898 115 G HN 0.818 nan 8.290 nan 0.000 0.551 116 M N -1.859 117.690 119.600 -0.085 0.000 2.520 116 M HA 0.826 5.308 4.480 0.003 0.000 0.283 116 M C -0.186 176.069 176.300 -0.075 0.000 1.237 116 M CA -0.547 54.712 55.300 -0.069 0.000 0.885 116 M CB 1.997 34.553 32.600 -0.073 0.000 1.727 116 M HN 2.220 nan 8.290 nan 0.000 0.468 117 A N 2.849 125.622 122.820 -0.078 0.000 2.363 117 A HA 0.774 5.096 4.320 0.003 0.000 0.270 117 A C -0.498 177.018 177.584 -0.113 0.000 1.121 117 A CA -0.622 51.355 52.037 -0.100 0.000 0.800 117 A CB 0.298 19.234 19.000 -0.107 0.000 1.052 117 A HN 0.841 nan 8.150 nan 0.000 0.493 118 L N 1.852 122.995 121.223 -0.133 0.000 2.375 118 L HA 0.527 4.869 4.340 0.003 0.000 0.268 118 L C 0.914 177.690 176.870 -0.157 0.000 1.058 118 L CA -0.535 54.219 54.840 -0.142 0.000 0.803 118 L CB 1.654 43.625 42.059 -0.148 0.000 1.212 118 L HN 0.872 nan 8.230 nan 0.000 0.451 119 S N -0.035 115.577 115.700 -0.146 0.000 2.722 119 S HA 0.482 4.954 4.470 0.003 0.000 0.292 119 S C -2.198 172.318 174.600 -0.140 0.000 1.135 119 S CA -1.388 56.733 58.200 -0.133 0.000 1.003 119 S CB 1.764 64.860 63.200 -0.173 0.000 1.067 119 S HN 0.332 nan 8.310 nan 0.000 0.546 120 P HA -0.098 nan 4.420 nan 0.000 0.215 120 P C 1.590 178.789 177.300 -0.170 0.000 1.153 120 P CA 1.112 64.114 63.100 -0.164 0.000 0.853 120 P CB 0.033 31.793 31.700 0.100 0.000 0.788 121 R N 0.375 120.816 120.500 -0.099 0.000 2.092 121 R HA -0.122 4.220 4.340 0.003 0.000 0.231 121 R C 1.940 178.180 176.300 -0.100 0.000 1.119 121 R CA 1.487 57.537 56.100 -0.083 0.000 0.970 121 R CB -0.331 29.921 30.300 -0.081 0.000 0.864 121 R HN 0.192 nan 8.270 nan 0.000 0.440 122 E N 0.376 120.503 120.200 -0.122 0.000 2.106 122 E HA -0.190 4.161 4.350 0.003 0.000 0.192 122 E C 1.864 178.388 176.600 -0.126 0.000 0.984 122 E CA 0.913 57.245 56.400 -0.113 0.000 0.806 122 E CB -0.076 29.555 29.700 -0.116 0.000 0.750 122 E HN 0.192 nan 8.360 nan 0.000 0.458 123 L N -0.153 120.966 121.223 -0.173 0.000 2.217 123 L HA 0.067 4.408 4.340 0.003 0.000 0.211 123 L C 1.323 178.084 176.870 -0.182 0.000 1.107 123 L CA 1.926 56.639 54.840 -0.211 0.000 0.783 123 L CB -0.124 41.737 42.059 -0.330 0.000 0.919 123 L HN 0.271 nan 8.230 nan 0.000 0.442 124 G N -1.674 107.034 108.800 -0.152 0.000 2.130 124 G HA2 -0.219 3.743 3.960 0.003 0.000 0.216 124 G HA3 -0.219 3.743 3.960 0.003 0.000 0.216 124 G C 0.715 175.598 174.900 -0.029 0.000 0.999 124 G CA 0.615 45.675 45.100 -0.066 0.000 0.686 124 G HN 0.790 nan 8.290 nan 0.000 0.515 125 V N -2.854 116.935 119.914 -0.208 0.000 3.565 125 V HA 0.722 4.844 4.120 0.003 0.000 0.260 125 V C 1.116 177.119 176.094 -0.152 0.000 1.231 125 V CA 1.260 63.400 62.300 -0.266 0.000 1.100 125 V CB 0.532 31.799 31.823 -0.926 0.000 0.807 125 V HN 1.640 nan 8.190 nan 0.000 0.454 126 G N -0.459 108.270 108.800 -0.118 0.000 2.649 126 G HA2 0.541 4.502 3.960 0.003 0.000 0.290 126 G HA3 0.541 4.502 3.960 0.003 0.000 0.290 126 G C -0.579 174.406 174.900 0.141 0.000 1.426 126 G CA -0.161 45.032 45.100 0.154 0.000 0.794 126 G HN -0.048 nan 8.290 nan 0.000 0.483 127 E N -0.892 119.430 120.200 0.204 0.000 2.299 127 E HA 0.087 4.439 4.350 0.003 0.000 0.193 127 E C 0.223 176.913 176.600 0.151 0.000 0.998 127 E CA -0.100 56.386 56.400 0.143 0.000 0.851 127 E CB -0.000 29.781 29.700 0.137 0.000 0.795 127 E HN 0.388 nan 8.360 nan 0.000 0.492 128 Y N 0.511 120.875 120.300 0.107 0.000 2.650 128 Y HA 0.295 4.846 4.550 0.003 0.000 0.331 128 Y C 1.251 177.176 175.900 0.042 0.000 1.165 128 Y CA 0.305 58.455 58.100 0.084 0.000 1.473 128 Y CB 0.681 39.218 38.460 0.127 0.000 1.224 128 Y HN -0.017 nan 8.280 nan 0.000 0.533 129 G N 3.240 111.636 108.800 -0.673 0.000 3.695 129 G HA2 0.125 4.086 3.960 0.003 0.000 0.277 129 G HA3 0.125 4.086 3.960 0.003 0.000 0.277 129 G C 1.047 175.533 174.900 -0.690 0.000 1.001 129 G CA 0.184 44.952 45.100 -0.553 0.000 0.837 129 G HN 0.937 nan 8.290 nan 0.000 0.492 130 G N -0.161 107.865 108.800 -1.291 0.000 2.985 130 G HA2 0.482 4.444 3.960 0.003 0.000 0.209 130 G HA3 0.482 4.444 3.960 0.003 0.000 0.209 130 G C 0.582 175.338 174.900 -0.240 0.000 1.165 130 G CA 0.541 45.291 45.100 -0.583 0.000 0.776 130 G HN 0.742 nan 8.290 nan 0.000 0.541 131 G N -0.907 107.730 108.800 -0.271 0.000 2.559 131 G HA2 0.472 4.434 3.960 0.003 0.000 0.291 131 G HA3 0.472 4.434 3.960 0.003 0.000 0.291 131 G C -0.966 173.951 174.900 0.028 0.000 1.424 131 G CA -1.024 44.110 45.100 0.057 0.000 0.786 131 G HN 0.142 nan 8.290 nan 0.000 0.485 132 L N 0.432 121.655 121.223 -0.000 0.000 2.439 132 L HA 0.403 4.745 4.340 0.003 0.000 0.261 132 L C 0.250 177.075 176.870 -0.075 0.000 1.153 132 L CA -1.046 53.750 54.840 -0.072 0.000 0.808 132 L CB 0.553 42.541 42.059 -0.118 0.000 1.126 132 L HN 0.201 nan 8.230 nan 0.000 0.460 133 L N 1.709 122.812 121.223 -0.199 0.000 2.453 133 L HA 0.123 4.464 4.340 0.003 0.000 0.272 133 L C 0.228 176.810 176.870 -0.480 0.000 1.182 133 L CA 0.643 55.303 54.840 -0.300 0.000 0.858 133 L CB 0.196 41.913 42.059 -0.570 0.000 1.120 133 L HN 0.638 nan 8.230 nan 0.000 0.474 134 E N 3.720 123.746 120.200 -0.289 0.000 2.101 134 E HA 0.344 4.696 4.350 0.003 0.000 0.260 134 E C -1.007 175.587 176.600 -0.011 0.000 0.897 134 E CA -0.395 55.889 56.400 -0.194 0.000 0.744 134 E CB 0.939 30.607 29.700 -0.053 0.000 1.140 134 E HN 0.200 nan 8.360 nan 0.000 0.419 135 F N 2.089 122.119 119.950 0.133 0.000 2.411 135 F HA 0.429 4.957 4.527 0.003 0.000 0.324 135 F C -1.984 173.914 175.800 0.163 0.000 1.086 135 F CA -3.128 54.985 58.000 0.189 0.000 1.028 135 F CB -0.078 39.150 39.000 0.380 0.000 1.284 135 F HN 0.197 nan 8.300 nan 0.000 0.501 136 P HA 0.081 nan 4.420 nan 0.000 0.271 136 P C 0.642 178.131 177.300 0.315 0.000 1.216 136 P CA 0.033 63.253 63.100 0.201 0.000 0.771 136 P CB 0.596 32.350 31.700 0.090 0.000 0.864 137 E N 2.826 123.168 120.200 0.236 0.000 2.187 137 E HA -0.278 4.073 4.350 0.003 0.000 0.199 137 E C 0.348 177.170 176.600 0.370 0.000 1.004 137 E CA 1.900 58.463 56.400 0.271 0.000 0.813 137 E CB -0.090 29.689 29.700 0.131 0.000 0.736 137 E HN 0.507 nan 8.360 nan 0.000 0.468 138 D N -1.037 119.490 120.400 0.213 0.000 2.368 138 D HA 0.193 4.835 4.640 0.003 0.000 0.218 138 D C 1.381 177.646 176.300 -0.059 0.000 1.112 138 D CA 0.489 54.559 54.000 0.117 0.000 0.834 138 D CB 0.364 41.197 40.800 0.057 0.000 0.953 138 D HN 0.245 nan 8.370 nan 0.000 0.505 139 A N 0.340 123.061 122.820 -0.165 0.000 1.958 139 A HA 0.001 4.323 4.320 0.003 0.000 0.221 139 A C 0.811 178.044 177.584 -0.585 0.000 1.178 139 A CA 1.109 52.901 52.037 -0.409 0.000 0.642 139 A CB -0.326 18.389 19.000 -0.476 0.000 0.816 139 A HN 0.409 nan 8.150 nan 0.000 0.453 140 L N -3.659 117.025 121.223 -0.898 0.000 2.600 140 L HA 0.375 4.716 4.340 0.003 0.000 0.257 140 L C -2.961 173.803 176.870 -0.177 0.000 1.048 140 L CA -2.355 52.166 54.840 -0.531 0.000 0.869 140 L CB 1.998 43.701 42.059 -0.593 0.000 1.482 140 L HN -0.237 nan 8.230 nan 0.000 0.408 141 P HA 0.185 nan 4.420 nan 0.000 0.271 141 P C -2.506 174.913 177.300 0.198 0.000 1.226 141 P CA -1.018 62.129 63.100 0.078 0.000 0.765 141 P CB 0.114 31.838 31.700 0.040 0.000 0.835 142 P HA -0.055 nan 4.420 nan 0.000 0.261 142 P C 1.113 178.516 177.300 0.171 0.000 1.165 142 P CA 1.694 64.946 63.100 0.253 0.000 0.759 142 P CB 0.072 31.857 31.700 0.141 0.000 0.772 143 G N 1.730 110.635 108.800 0.175 0.000 2.241 143 G HA2 -0.236 3.726 3.960 0.003 0.000 0.244 143 G HA3 -0.236 3.726 3.960 0.003 0.000 0.244 143 G C 0.264 175.239 174.900 0.125 0.000 0.998 143 G CA 0.201 45.375 45.100 0.122 0.000 0.621 143 G HN 0.745 nan 8.290 nan 0.000 0.519 144 T N 1.185 115.826 114.554 0.145 0.000 2.902 144 T HA 0.484 4.836 4.350 0.003 0.000 0.301 144 T C -2.308 172.461 174.700 0.114 0.000 1.012 144 T CA -0.888 61.274 62.100 0.103 0.000 1.151 144 T CB 1.426 70.334 68.868 0.067 0.000 0.946 144 T HN 0.163 nan 8.240 nan 0.000 0.542 145 P HA 0.036 nan 4.420 nan 0.000 0.260 145 P C 0.912 178.259 177.300 0.078 0.000 1.185 145 P CA -0.411 62.732 63.100 0.072 0.000 0.763 145 P CB 0.310 32.041 31.700 0.052 0.000 0.776 146 L N 4.212 125.488 121.223 0.088 0.000 2.129 146 L HA -0.246 4.095 4.340 0.003 0.000 0.212 146 L C 1.979 178.904 176.870 0.092 0.000 1.087 146 L CA 1.974 56.865 54.840 0.084 0.000 0.757 146 L CB -1.231 40.858 42.059 0.050 0.000 0.896 146 L HN 0.270 nan 8.230 nan 0.000 0.434 147 S N -0.364 115.381 115.700 0.076 0.000 2.372 147 S HA -0.306 4.165 4.470 0.003 0.000 0.227 147 S C 1.738 176.406 174.600 0.114 0.000 1.044 147 S CA 1.831 60.094 58.200 0.104 0.000 1.050 147 S CB -0.471 62.773 63.200 0.073 0.000 0.901 147 S HN 0.602 nan 8.310 nan 0.000 0.447 148 E N 0.643 120.888 120.200 0.075 0.000 2.273 148 E HA -0.111 4.240 4.350 0.003 0.000 0.198 148 E C 1.554 178.179 176.600 0.043 0.000 1.002 148 E CA 1.067 57.498 56.400 0.051 0.000 0.828 148 E CB -0.111 29.607 29.700 0.030 0.000 0.747 148 E HN 0.562 nan 8.360 nan 0.000 0.491 149 A N -0.773 122.083 122.820 0.061 0.000 2.508 149 A HA 0.083 4.405 4.320 0.003 0.000 0.250 149 A C -0.079 177.564 177.584 0.098 0.000 1.208 149 A CA -0.443 51.610 52.037 0.026 0.000 0.960 149 A CB 0.434 19.403 19.000 -0.052 0.000 1.099 149 A HN 0.317 nan 8.150 nan 0.000 0.542 150 W N 2.530 123.804 121.300 -0.043 0.000 1.949 150 W HA 0.309 4.971 4.660 0.003 0.000 0.299 150 W C -3.266 173.293 176.519 0.066 0.000 0.959 150 W CA -2.348 54.989 57.345 -0.014 0.000 1.665 150 W CB 1.132 30.537 29.460 -0.091 0.000 1.829 150 W HN 0.096 nan 8.180 nan 0.000 0.375 151 P HA 0.080 nan 4.420 nan 0.000 0.272 151 P C 0.172 177.683 177.300 0.352 0.000 1.240 151 P CA 0.451 63.702 63.100 0.252 0.000 0.791 151 P CB 1.609 33.396 31.700 0.145 0.000 0.978 152 E N 0.079 120.436 120.200 0.260 0.000 2.425 152 E HA 0.123 4.475 4.350 0.003 0.000 0.258 152 E C 0.033 176.715 176.600 0.136 0.000 1.151 152 E CA 0.244 56.780 56.400 0.227 0.000 0.958 152 E CB 0.295 30.066 29.700 0.119 0.000 0.968 152 E HN 0.442 nan 8.360 nan 0.000 0.451 153 E N 0.249 120.437 120.200 -0.020 0.000 2.367 153 E HA 0.346 4.697 4.350 0.003 0.000 0.273 153 E C -1.899 174.641 176.600 -0.101 0.000 0.903 153 E CA -0.763 55.604 56.400 -0.055 0.000 0.764 153 E CB 1.763 31.376 29.700 -0.145 0.000 1.252 153 E HN 0.160 nan 8.360 nan 0.000 0.446 154 V N 3.341 123.246 119.914 -0.015 0.000 2.417 154 V HA 0.532 4.654 4.120 0.003 0.000 0.291 154 V C -0.673 175.435 176.094 0.023 0.000 1.024 154 V CA -0.798 61.479 62.300 -0.039 0.000 0.861 154 V CB 1.578 33.338 31.823 -0.104 0.000 0.985 154 V HN 0.573 nan 8.190 nan 0.000 0.436 155 V N 6.361 126.267 119.914 -0.013 0.000 2.448 155 V HA 0.493 4.615 4.120 0.003 0.000 0.295 155 V C -0.466 175.636 176.094 0.013 0.000 1.025 155 V CA -0.626 61.684 62.300 0.017 0.000 0.859 155 V CB 1.704 33.526 31.823 -0.002 0.000 0.988 155 V HN 0.593 nan 8.190 nan 0.000 0.431 156 L N 3.777 125.015 121.223 0.025 0.000 2.325 156 L HA 0.487 4.829 4.340 0.003 0.000 0.279 156 L C 0.350 177.221 176.870 0.003 0.000 1.054 156 L CA 0.176 55.024 54.840 0.013 0.000 0.804 156 L CB 0.998 43.069 42.059 0.020 0.000 1.200 156 L HN 0.553 nan 8.230 nan 0.000 0.436 157 D N 3.595 123.998 120.400 0.005 0.000 2.456 157 D HA 0.232 4.873 4.640 0.003 0.000 0.219 157 D C -0.871 175.435 176.300 0.010 0.000 1.126 157 D CA -0.194 53.809 54.000 0.005 0.000 0.890 157 D CB 0.710 41.516 40.800 0.010 0.000 1.025 157 D HN 0.331 nan 8.370 nan 0.000 0.511 158 L N 2.893 124.117 121.223 0.002 0.000 2.307 158 L HA 0.269 4.611 4.340 0.003 0.000 0.282 158 L C 0.562 177.463 176.870 0.051 0.000 1.051 158 L CA -0.561 54.292 54.840 0.022 0.000 0.804 158 L CB 1.779 43.822 42.059 -0.026 0.000 1.197 158 L HN 0.351 nan 8.230 nan 0.000 0.431 159 E N 3.164 123.421 120.200 0.094 0.000 2.229 159 E HA 0.289 4.641 4.350 0.003 0.000 0.283 159 E C -1.469 175.247 176.600 0.194 0.000 1.030 159 E CA -0.543 55.920 56.400 0.105 0.000 0.836 159 E CB 1.366 31.114 29.700 0.079 0.000 1.068 159 E HN 0.310 nan 8.360 nan 0.000 0.401 160 V N 5.613 125.630 119.914 0.173 0.000 2.305 160 V HA 0.119 4.240 4.120 0.003 0.000 0.275 160 V C 0.231 176.421 176.094 0.161 0.000 1.020 160 V CA -0.724 61.722 62.300 0.245 0.000 0.811 160 V CB 0.890 32.814 31.823 0.168 0.000 1.031 160 V HN 0.892 nan 8.190 nan 0.000 0.439 161 T N 3.089 117.710 114.554 0.113 0.000 2.906 161 T HA 0.102 4.454 4.350 0.003 0.000 0.320 161 T C -1.442 173.290 174.700 0.053 0.000 1.088 161 T CA -0.823 61.308 62.100 0.052 0.000 1.120 161 T CB 0.595 69.457 68.868 -0.011 0.000 1.000 161 T HN 0.392 nan 8.240 nan 0.000 0.550 162 P HA -0.146 nan 4.420 nan 0.000 0.220 162 P C 1.371 178.679 177.300 0.014 0.000 1.144 162 P CA 0.937 64.049 63.100 0.021 0.000 0.800 162 P CB -0.107 31.606 31.700 0.022 0.000 0.772 163 N N -1.251 117.457 118.700 0.014 0.000 2.467 163 N HA -0.066 4.676 4.740 0.003 0.000 0.184 163 N C 0.532 176.057 175.510 0.024 0.000 1.106 163 N CA 0.614 53.671 53.050 0.011 0.000 0.892 163 N CB -0.150 38.336 38.487 -0.001 0.000 0.969 163 N HN 0.014 nan 8.380 nan 0.000 0.454 164 R N 1.076 121.607 120.500 0.051 0.000 3.026 164 R HA 0.283 4.625 4.340 0.003 0.000 0.317 164 R C -1.709 174.635 176.300 0.074 0.000 1.278 164 R CA -1.760 54.397 56.100 0.096 0.000 1.407 164 R CB 0.583 31.012 30.300 0.214 0.000 1.368 164 R HN 0.203 nan 8.270 nan 0.000 0.612 165 P HA -0.196 nan 4.420 nan 0.000 0.218 165 P C 0.635 177.921 177.300 -0.023 0.000 1.146 165 P CA 1.255 64.342 63.100 -0.021 0.000 0.813 165 P CB 0.240 31.921 31.700 -0.032 0.000 0.778 166 D N 0.445 120.858 120.400 0.022 0.000 2.309 166 D HA -0.101 4.540 4.640 0.003 0.000 0.212 166 D C 1.525 177.791 176.300 -0.056 0.000 0.968 166 D CA 0.928 54.937 54.000 0.015 0.000 0.882 166 D CB -0.627 40.271 40.800 0.164 0.000 0.918 166 D HN 0.162 nan 8.370 nan 0.000 0.503 167 A N 0.286 123.086 122.820 -0.033 0.000 2.251 167 A HA 0.213 4.534 4.320 0.003 0.000 0.209 167 A C 2.082 179.565 177.584 -0.168 0.000 1.187 167 A CA -0.248 51.709 52.037 -0.132 0.000 0.823 167 A CB -0.495 18.458 19.000 -0.078 0.000 0.846 167 A HN 0.231 nan 8.150 nan 0.000 0.486 168 L N -0.179 120.971 121.223 -0.122 0.000 2.645 168 L HA 0.179 4.521 4.340 0.003 0.000 0.235 168 L C 0.998 177.756 176.870 -0.187 0.000 1.150 168 L CA 0.110 54.877 54.840 -0.123 0.000 0.911 168 L CB 0.074 42.078 42.059 -0.092 0.000 1.077 168 L HN 0.414 nan 8.230 nan 0.000 0.438 169 G N -1.141 107.518 108.800 -0.234 0.000 2.609 169 G HA2 0.393 4.354 3.960 0.003 0.000 0.308 169 G HA3 0.393 4.354 3.960 0.003 0.000 0.308 169 G C 0.287 174.961 174.900 -0.378 0.000 1.369 169 G CA -0.542 44.379 45.100 -0.298 0.000 0.958 169 G HN -0.200 nan 8.290 nan 0.000 0.499 170 L N 2.159 123.097 121.223 -0.475 0.000 2.129 170 L HA -0.080 4.262 4.340 0.003 0.000 0.212 170 L C 2.776 179.331 176.870 -0.525 0.000 1.087 170 L CA 1.215 55.755 54.840 -0.501 0.000 0.757 170 L CB -0.626 41.055 42.059 -0.630 0.000 0.896 170 L HN 0.615 nan 8.230 nan 0.000 0.434 171 L N -1.266 119.551 121.223 -0.676 0.000 2.141 171 L HA -0.127 4.214 4.340 0.003 0.000 0.209 171 L C 2.305 178.911 176.870 -0.441 0.000 1.094 171 L CA 1.211 55.623 54.840 -0.713 0.000 0.763 171 L CB -0.653 40.995 42.059 -0.685 0.000 0.908 171 L HN 0.409 nan 8.230 nan 0.000 0.437 172 G N -0.279 108.295 108.800 -0.378 0.000 2.402 172 G HA2 -0.259 3.703 3.960 0.003 0.000 0.216 172 G HA3 -0.259 3.703 3.960 0.003 0.000 0.216 172 G C 1.461 176.219 174.900 -0.237 0.000 1.162 172 G CA 0.307 45.234 45.100 -0.288 0.000 0.777 172 G HN 0.174 nan 8.290 nan 0.000 0.539 173 L N 1.413 122.455 121.223 -0.301 0.000 2.017 173 L HA 0.092 4.433 4.340 0.003 0.000 0.208 173 L C 3.265 180.004 176.870 -0.218 0.000 1.073 173 L CA 1.778 56.424 54.840 -0.323 0.000 0.745 173 L CB -0.975 40.848 42.059 -0.393 0.000 0.894 173 L HN 0.281 nan 8.230 nan 0.000 0.432 174 A N -1.015 121.676 122.820 -0.215 0.000 1.940 174 A HA -0.276 4.046 4.320 0.003 0.000 0.219 174 A C 2.525 180.069 177.584 -0.066 0.000 1.176 174 A CA 1.924 53.879 52.037 -0.137 0.000 0.631 174 A CB -0.597 18.331 19.000 -0.119 0.000 0.814 174 A HN 0.408 nan 8.150 nan 0.000 0.446 175 R N -0.658 119.789 120.500 -0.089 0.000 2.092 175 R HA -0.153 4.189 4.340 0.003 0.000 0.231 175 R C 1.533 177.889 176.300 0.093 0.000 1.119 175 R CA 1.665 57.770 56.100 0.008 0.000 0.970 175 R CB -0.287 29.985 30.300 -0.047 0.000 0.864 175 R HN 0.465 nan 8.270 nan 0.000 0.440 176 D N 0.343 120.770 120.400 0.044 0.000 2.097 176 D HA -0.143 4.499 4.640 0.003 0.000 0.195 176 D C 1.856 178.207 176.300 0.085 0.000 0.989 176 D CA 1.077 55.125 54.000 0.079 0.000 0.827 176 D CB -0.068 40.795 40.800 0.104 0.000 0.966 176 D HN 0.190 nan 8.370 nan 0.000 0.456 177 L N -0.126 121.127 121.223 0.049 0.000 2.131 177 L HA -0.184 4.158 4.340 0.003 0.000 0.210 177 L C 2.427 179.436 176.870 0.231 0.000 1.092 177 L CA 1.083 55.965 54.840 0.070 0.000 0.759 177 L CB -0.493 41.475 42.059 -0.152 0.000 0.903 177 L HN 0.309 nan 8.230 nan 0.000 0.435 178 H N 0.286 119.405 119.070 0.082 0.000 2.353 178 H HA -0.176 4.382 4.556 0.003 0.000 0.300 178 H C 2.162 177.542 175.328 0.086 0.000 1.090 178 H CA 1.312 57.421 56.048 0.101 0.000 1.327 178 H CB 0.359 30.145 29.762 0.041 0.000 1.383 178 H HN 0.348 nan 8.280 nan 0.000 0.508 179 A N 1.191 123.993 122.820 -0.030 0.000 1.986 179 A HA -0.156 4.166 4.320 0.003 0.000 0.220 179 A C 2.306 179.837 177.584 -0.088 0.000 1.171 179 A CA 1.244 53.217 52.037 -0.108 0.000 0.640 179 A CB -0.603 18.386 19.000 -0.019 0.000 0.811 179 A HN 0.368 nan 8.150 nan 0.000 0.451 180 L N -1.802 119.428 121.223 0.012 0.000 2.362 180 L HA 0.107 4.448 4.340 0.003 0.000 0.219 180 L C 1.941 178.775 176.870 -0.061 0.000 1.134 180 L CA 1.617 56.470 54.840 0.021 0.000 0.807 180 L CB -0.663 41.490 42.059 0.157 0.000 0.927 180 L HN 0.672 nan 8.230 nan 0.000 0.447 181 G N -3.665 105.084 108.800 -0.085 0.000 2.421 181 G HA2 -0.231 3.731 3.960 0.003 0.000 0.188 181 G HA3 -0.231 3.731 3.960 0.003 0.000 0.188 181 G C 0.136 174.977 174.900 -0.100 0.000 1.001 181 G CA -0.426 44.583 45.100 -0.152 0.000 0.693 181 G HN 0.172 nan 8.290 nan 0.000 0.479 182 Y N 1.948 122.249 120.300 0.002 0.000 2.597 182 Y HA 0.439 4.991 4.550 0.003 0.000 0.336 182 Y C 1.276 177.276 175.900 0.167 0.000 1.216 182 Y CA 0.478 58.615 58.100 0.062 0.000 1.463 182 Y CB 0.694 39.189 38.460 0.058 0.000 1.303 182 Y HN 0.445 nan 8.280 nan 0.000 0.576 183 A N 4.534 127.522 122.820 0.281 0.000 2.462 183 A HA 0.354 4.676 4.320 0.003 0.000 0.243 183 A C -0.620 177.068 177.584 0.173 0.000 1.076 183 A CA -0.468 51.699 52.037 0.218 0.000 0.773 183 A CB 0.114 19.184 19.000 0.116 0.000 1.010 183 A HN 0.794 nan 8.150 nan 0.000 0.493 184 L N 3.393 124.632 121.223 0.026 0.000 2.322 184 L HA 0.577 4.918 4.340 0.003 0.000 0.281 184 L C -1.236 175.586 176.870 -0.079 0.000 1.014 184 L CA -0.664 54.108 54.840 -0.113 0.000 0.815 184 L CB 1.745 43.511 42.059 -0.489 0.000 1.247 184 L HN 0.442 nan 8.230 nan 0.000 0.421 185 V N 4.803 124.712 119.914 -0.009 0.000 2.326 185 V HA 0.332 4.454 4.120 0.003 0.000 0.281 185 V C -0.160 175.974 176.094 0.068 0.000 1.015 185 V CA -0.687 61.620 62.300 0.012 0.000 0.823 185 V CB 1.491 33.320 31.823 0.011 0.000 1.009 185 V HN 0.734 nan 8.190 nan 0.000 0.436 186 E N 6.258 126.465 120.200 0.012 0.000 2.249 186 E HA 0.375 4.727 4.350 0.003 0.000 0.280 186 E C -2.220 174.410 176.600 0.051 0.000 1.016 186 E CA -1.653 54.759 56.400 0.020 0.000 0.830 186 E CB 1.414 31.086 29.700 -0.046 0.000 1.081 186 E HN 0.513 nan 8.360 nan 0.000 0.395 187 P HA -0.019 nan 4.420 nan 0.000 0.271 187 P C -0.982 176.341 177.300 0.037 0.000 1.216 187 P CA -0.052 63.100 63.100 0.086 0.000 0.771 187 P CB 0.526 32.324 31.700 0.163 0.000 0.864 188 E N 1.429 121.639 120.200 0.015 0.000 2.167 188 E HA 0.474 4.826 4.350 0.003 0.000 0.284 188 E C -0.445 176.160 176.600 0.009 0.000 1.016 188 E CA -1.129 55.273 56.400 0.004 0.000 0.817 188 E CB 0.887 30.582 29.700 -0.009 0.000 1.080 188 E HN 0.367 nan 8.360 nan 0.000 0.397 189 A N 3.794 126.621 122.820 0.012 0.000 3.056 189 A HA 0.424 4.746 4.320 0.003 0.000 0.274 189 A C 0.540 178.127 177.584 0.005 0.000 1.661 189 A CA -0.242 51.804 52.037 0.015 0.000 1.363 189 A CB -0.599 18.413 19.000 0.020 0.000 1.139 189 A HN 0.746 nan 8.150 nan 0.000 0.598 190 A N 2.201 125.020 122.820 -0.003 0.000 2.505 190 A HA 0.459 4.781 4.320 0.003 0.000 0.271 190 A C 0.010 177.588 177.584 -0.010 0.000 1.112 190 A CA 0.410 52.441 52.037 -0.009 0.000 0.781 190 A CB -0.267 18.723 19.000 -0.017 0.000 1.059 190 A HN 0.787 nan 8.150 nan 0.000 0.508 191 L N 3.113 124.332 121.223 -0.008 0.000 2.365 191 L HA 0.481 4.823 4.340 0.003 0.000 0.273 191 L C 0.231 177.094 176.870 -0.011 0.000 1.000 191 L CA -0.691 54.143 54.840 -0.010 0.000 0.819 191 L CB 1.991 44.049 42.059 -0.001 0.000 1.284 191 L HN 0.626 nan 8.230 nan 0.000 0.418 192 K N 4.120 124.507 120.400 -0.021 0.000 2.533 192 K HA 0.478 4.799 4.320 0.003 0.000 0.207 192 K C -0.679 175.909 176.600 -0.019 0.000 1.052 192 K CA -0.272 56.004 56.287 -0.019 0.000 1.030 192 K CB 1.099 33.583 32.500 -0.028 0.000 1.522 192 K HN 0.680 nan 8.250 nan 0.000 0.543 193 A N 2.395 125.215 122.820 0.000 0.000 2.272 193 A HA 0.434 4.755 4.320 0.003 0.000 0.275 193 A C -0.516 177.092 177.584 0.039 0.000 1.096 193 A CA -0.235 51.813 52.037 0.018 0.000 0.822 193 A CB 0.490 19.512 19.000 0.036 0.000 1.088 193 A HN 0.659 nan 8.150 nan 0.000 0.495 194 E N -0.509 119.737 120.200 0.077 0.000 2.272 194 E HA 0.501 4.852 4.350 0.003 0.000 0.269 194 E C -0.937 175.730 176.600 0.112 0.000 0.877 194 E CA -0.805 55.656 56.400 0.100 0.000 0.755 194 E CB 2.091 31.883 29.700 0.153 0.000 1.192 194 E HN 0.716 nan 8.360 nan 0.000 0.422 195 A N 3.746 126.615 122.820 0.082 0.000 2.807 195 A HA 0.424 4.745 4.320 0.003 0.000 0.307 195 A C -0.672 176.951 177.584 0.065 0.000 1.532 195 A CA -0.179 51.898 52.037 0.068 0.000 1.215 195 A CB -1.026 18.001 19.000 0.045 0.000 1.127 195 A HN 0.357 nan 8.150 nan 0.000 0.543 196 L N 0.478 121.751 121.223 0.083 0.000 2.376 196 L HA 0.846 5.188 4.340 0.003 0.000 0.258 196 L C -2.646 174.237 176.870 0.021 0.000 1.013 196 L CA -2.412 52.459 54.840 0.051 0.000 0.822 196 L CB 0.420 42.518 42.059 0.066 0.000 1.388 196 L HN 0.218 nan 8.230 nan 0.000 0.413 197 P HA 0.300 nan 4.420 nan 0.000 0.274 197 P C -1.059 176.095 177.300 -0.244 0.000 1.237 197 P CA -0.302 62.726 63.100 -0.120 0.000 0.793 197 P CB 0.884 32.511 31.700 -0.122 0.000 0.977 198 L N 3.594 124.572 121.223 -0.408 0.000 2.276 198 L HA 0.221 4.563 4.340 0.003 0.000 0.286 198 L C -1.231 175.124 176.870 -0.858 0.000 1.061 198 L CA -1.779 52.546 54.840 -0.857 0.000 0.807 198 L CB 1.107 42.528 42.059 -1.064 0.000 1.177 198 L HN 0.274 nan 8.230 nan 0.000 0.429 199 P HA 0.010 nan 4.420 nan 0.000 0.285 199 P C -0.826 176.378 177.300 -0.160 0.000 1.521 199 P CA 0.392 63.272 63.100 -0.367 0.000 0.792 199 P CB -0.513 31.049 31.700 -0.230 0.000 1.613 200 F N -3.185 116.617 119.950 -0.246 0.000 2.807 200 F HA 0.754 5.283 4.527 0.003 0.000 0.316 200 F C -1.717 173.995 175.800 -0.147 0.000 1.162 200 F CA -1.797 56.074 58.000 -0.214 0.000 0.910 200 F CB 0.359 39.232 39.000 -0.212 0.000 1.314 200 F HN -0.081 nan 8.300 nan 0.000 0.454 201 A N 1.138 124.001 122.820 0.073 0.000 2.387 201 A HA 0.892 5.214 4.320 0.003 0.000 0.303 201 A C -2.118 175.630 177.584 0.273 0.000 1.145 201 A CA -0.926 51.187 52.037 0.126 0.000 0.801 201 A CB 1.774 20.897 19.000 0.204 0.000 1.342 201 A HN 1.275 nan 8.150 nan 0.000 0.440 202 L N 0.298 121.674 121.223 0.255 0.000 2.356 202 L HA 0.698 5.040 4.340 0.003 0.000 0.277 202 L C -0.481 176.492 176.870 0.171 0.000 0.996 202 L CA -0.199 54.782 54.840 0.234 0.000 0.822 202 L CB 1.464 43.648 42.059 0.209 0.000 1.256 202 L HN 0.654 nan 8.230 nan 0.000 0.413 203 K N 4.365 124.839 120.400 0.123 0.000 2.559 203 K HA 0.538 4.859 4.320 0.003 0.000 0.249 203 K C -1.637 174.898 176.600 -0.108 0.000 0.958 203 K CA -0.593 55.681 56.287 -0.021 0.000 0.901 203 K CB 1.503 33.908 32.500 -0.159 0.000 1.124 203 K HN 0.508 nan 8.250 nan 0.000 0.437 204 V N 5.166 125.014 119.914 -0.109 0.000 2.284 204 V HA 0.089 4.211 4.120 0.003 0.000 0.260 204 V C 0.747 176.778 176.094 -0.105 0.000 1.084 204 V CA -0.085 62.127 62.300 -0.146 0.000 0.894 204 V CB 0.717 32.478 31.823 -0.105 0.000 1.119 204 V HN 0.872 nan 8.190 nan 0.000 0.484 205 E N 1.801 121.929 120.200 -0.120 0.000 2.285 205 E HA -0.065 4.287 4.350 0.003 0.000 0.194 205 E C 0.577 177.137 176.600 -0.067 0.000 0.997 205 E CA 0.547 56.887 56.400 -0.100 0.000 0.845 205 E CB 0.350 29.979 29.700 -0.119 0.000 0.782 205 E HN 0.612 nan 8.360 nan 0.000 0.491 206 D N -0.510 119.856 120.400 -0.057 0.000 2.400 206 D HA 0.115 4.757 4.640 0.003 0.000 0.272 206 D C -2.220 174.080 176.300 0.000 0.000 1.220 206 D CA -2.091 51.893 54.000 -0.026 0.000 0.897 206 D CB 1.106 41.893 40.800 -0.022 0.000 1.134 206 D HN -0.194 nan 8.370 nan 0.000 0.507 207 P HA -0.109 nan 4.420 nan 0.000 0.218 207 P C 1.188 178.516 177.300 0.046 0.000 1.148 207 P CA 0.802 63.920 63.100 0.029 0.000 0.822 207 P CB 0.521 32.235 31.700 0.022 0.000 0.784 208 E N -0.383 119.837 120.200 0.034 0.000 2.118 208 E HA -0.149 4.202 4.350 0.003 0.000 0.195 208 E C 2.080 178.716 176.600 0.060 0.000 0.992 208 E CA 1.675 58.099 56.400 0.039 0.000 0.804 208 E CB -0.917 28.798 29.700 0.026 0.000 0.741 208 E HN 0.174 nan 8.360 nan 0.000 0.458 209 G N -0.313 108.527 108.800 0.067 0.000 2.426 209 G HA2 0.052 4.014 3.960 0.003 0.000 0.214 209 G HA3 0.052 4.014 3.960 0.003 0.000 0.214 209 G C 0.576 175.606 174.900 0.216 0.000 1.156 209 G CA 0.383 45.547 45.100 0.106 0.000 0.802 209 G HN 0.326 nan 8.290 nan 0.000 0.534 210 A N 0.421 123.354 122.820 0.189 0.000 2.978 210 A HA 0.680 5.002 4.320 0.003 0.000 0.341 210 A C -1.492 176.166 177.584 0.124 0.000 1.105 210 A CA -1.002 51.160 52.037 0.207 0.000 0.819 210 A CB 1.176 20.344 19.000 0.280 0.000 1.080 210 A HN 0.031 nan 8.150 nan 0.000 0.476 211 P HA -0.151 nan 4.420 nan 0.000 0.217 211 P C 0.151 177.546 177.300 0.160 0.000 1.148 211 P CA 1.705 64.865 63.100 0.099 0.000 0.828 211 P CB 0.085 31.832 31.700 0.077 0.000 0.783 212 H N -2.149 116.929 119.070 0.014 0.000 2.934 212 H HA 0.542 5.099 4.556 0.003 0.000 0.340 212 H C -1.912 173.433 175.328 0.028 0.000 1.008 212 H CA -1.334 54.727 56.048 0.022 0.000 1.317 212 H CB 0.185 29.942 29.762 -0.009 0.000 1.670 212 H HN -0.230 nan 8.280 nan 0.000 0.516 213 F N 4.102 123.935 119.950 -0.196 0.000 2.557 213 F HA 0.526 5.054 4.527 0.003 0.000 0.316 213 F C -0.942 174.738 175.800 -0.200 0.000 1.141 213 F CA -0.216 57.650 58.000 -0.224 0.000 0.922 213 F CB 1.845 40.790 39.000 -0.091 0.000 1.194 213 F HN 0.581 nan 8.300 nan 0.000 0.443 214 T N 4.301 118.581 114.554 -0.456 0.000 2.906 214 T HA 0.793 5.145 4.350 0.003 0.000 0.295 214 T C -1.387 173.231 174.700 -0.137 0.000 1.061 214 T CA -0.844 61.149 62.100 -0.179 0.000 1.000 214 T CB 1.854 70.599 68.868 -0.205 0.000 1.103 214 T HN 0.599 nan 8.240 nan 0.000 0.486 215 L N 1.649 122.938 121.223 0.110 0.000 2.381 215 L HA 0.732 5.073 4.340 0.003 0.000 0.274 215 L C 0.593 177.617 176.870 0.256 0.000 0.988 215 L CA -1.005 53.968 54.840 0.222 0.000 0.824 215 L CB 2.134 44.447 42.059 0.424 0.000 1.263 215 L HN 1.045 nan 8.230 nan 0.000 0.410 216 G N 0.865 109.813 108.800 0.247 0.000 2.434 216 G HA2 0.469 4.430 3.960 0.003 0.000 0.330 216 G HA3 0.469 4.430 3.960 0.003 0.000 0.330 216 G C -2.079 173.088 174.900 0.444 0.000 1.155 216 G CA -0.221 45.040 45.100 0.269 0.000 0.917 216 G HN 0.420 nan 8.290 nan 0.000 0.493 217 Y N 0.816 121.284 120.300 0.279 0.000 2.326 217 Y HA 0.654 5.205 4.550 0.003 0.000 0.329 217 Y C -0.364 175.711 175.900 0.292 0.000 0.973 217 Y CA -1.749 56.570 58.100 0.364 0.000 1.162 217 Y CB 1.378 40.067 38.460 0.381 0.000 1.147 217 Y HN 0.738 nan 8.280 nan 0.000 0.456 218 A N 7.546 130.348 122.820 -0.031 0.000 2.343 218 A HA 0.783 5.104 4.320 0.003 0.000 0.308 218 A C -1.612 175.851 177.584 -0.201 0.000 1.092 218 A CA -0.472 51.438 52.037 -0.212 0.000 0.751 218 A CB 0.336 19.279 19.000 -0.094 0.000 1.203 218 A HN 0.751 nan 8.150 nan 0.000 0.452 219 F N -0.357 119.364 119.950 -0.382 0.000 2.764 219 F HA 0.822 5.351 4.527 0.003 0.000 0.347 219 F C 0.945 176.675 175.800 -0.117 0.000 1.151 219 F CA -0.922 56.946 58.000 -0.221 0.000 1.021 219 F CB 0.720 39.572 39.000 -0.247 0.000 1.438 219 F HN 1.381 nan 8.300 nan 0.000 0.516 220 G N 0.900 109.766 108.800 0.110 0.000 2.225 220 G HA2 -0.255 3.707 3.960 0.003 0.000 0.267 220 G HA3 -0.255 3.707 3.960 0.003 0.000 0.267 220 G C -0.349 174.515 174.900 -0.059 0.000 1.024 220 G CA 0.213 45.322 45.100 0.015 0.000 0.784 220 G HN 0.736 nan 8.290 nan 0.000 0.507 221 L N -0.743 120.459 121.223 -0.035 0.000 2.456 221 L HA 0.451 4.793 4.340 0.003 0.000 0.272 221 L C 1.111 177.965 176.870 -0.025 0.000 1.189 221 L CA -0.458 54.355 54.840 -0.045 0.000 0.846 221 L CB 0.781 42.825 42.059 -0.025 0.000 1.111 221 L HN 0.162 nan 8.230 nan 0.000 0.475 222 R N 2.906 123.384 120.500 -0.036 0.000 2.587 222 R HA 0.305 4.647 4.340 0.003 0.000 0.283 222 R C -1.383 174.900 176.300 -0.028 0.000 1.472 222 R CA -0.568 55.517 56.100 -0.025 0.000 1.578 222 R CB 0.070 30.354 30.300 -0.027 0.000 1.130 222 R HN 0.351 nan 8.270 nan 0.000 0.602 223 V N 2.970 122.870 119.914 -0.023 0.000 2.557 223 V HA 0.472 4.593 4.120 0.003 0.000 0.301 223 V C 0.612 176.690 176.094 -0.027 0.000 1.026 223 V CA 1.013 63.295 62.300 -0.029 0.000 1.137 223 V CB 0.296 32.106 31.823 -0.022 0.000 0.917 223 V HN 0.851 nan 8.190 nan 0.000 0.484 224 A N 6.652 129.451 122.820 -0.036 0.000 2.536 224 A HA 0.844 5.165 4.320 0.003 0.000 0.293 224 A C -3.171 174.393 177.584 -0.034 0.000 1.119 224 A CA -1.459 50.563 52.037 -0.025 0.000 0.654 224 A CB 1.310 20.300 19.000 -0.016 0.000 1.291 224 A HN 0.565 nan 8.150 nan 0.000 0.439 225 P HA 0.285 nan 4.420 nan 0.000 0.269 225 P C -0.174 177.098 177.300 -0.047 0.000 1.215 225 P CA 0.238 63.336 63.100 -0.004 0.000 0.780 225 P CB 0.630 32.370 31.700 0.066 0.000 0.898 226 S N 3.050 118.690 115.700 -0.099 0.000 2.614 226 S HA 0.329 4.800 4.470 0.003 0.000 0.265 226 S C -2.133 172.321 174.600 -0.243 0.000 1.303 226 S CA -0.899 57.165 58.200 -0.227 0.000 1.000 226 S CB -0.480 62.518 63.200 -0.337 0.000 0.935 226 S HN 0.368 nan 8.310 nan 0.000 0.551 227 P HA 0.168 nan 4.420 nan 0.000 0.270 227 P C 0.771 177.771 177.300 -0.500 0.000 1.223 227 P CA -0.256 62.596 63.100 -0.413 0.000 0.785 227 P CB 0.365 31.752 31.700 -0.522 0.000 0.923 228 L N 1.047 122.071 121.223 -0.333 0.000 2.042 228 L HA -0.174 4.167 4.340 0.003 0.000 0.210 228 L C 2.446 179.034 176.870 -0.471 0.000 1.076 228 L CA 1.642 56.264 54.840 -0.364 0.000 0.749 228 L CB -0.925 40.955 42.059 -0.299 0.000 0.893 228 L HN 0.642 nan 8.230 nan 0.000 0.432 229 W N 0.067 121.144 121.300 -0.372 0.000 2.338 229 W HA -0.270 4.392 4.660 0.003 0.000 0.304 229 W C 2.144 178.395 176.519 -0.446 0.000 1.212 229 W CA 1.155 58.258 57.345 -0.404 0.000 1.264 229 W CB -0.934 28.325 29.460 -0.336 0.000 1.142 229 W HN 0.194 nan 8.180 nan 0.000 0.512 230 M N 1.340 120.159 119.600 -1.302 0.000 2.254 230 M HA -0.154 4.328 4.480 0.003 0.000 0.265 230 M C 2.499 178.414 176.300 -0.642 0.000 1.066 230 M CA 1.688 56.242 55.300 -1.242 0.000 1.123 230 M CB -0.205 31.365 32.600 -1.717 0.000 1.388 230 M HN 0.003 nan 8.290 nan 0.000 0.425 231 Q N -0.343 119.148 119.800 -0.515 0.000 2.123 231 Q HA -0.193 4.148 4.340 0.003 0.000 0.199 231 Q C 2.112 178.009 176.000 -0.172 0.000 0.966 231 Q CA 1.466 57.132 55.803 -0.228 0.000 0.845 231 Q CB -0.293 28.495 28.738 0.084 0.000 0.907 231 Q HN 0.560 nan 8.270 nan 0.000 0.439 232 R N 0.767 120.876 120.500 -0.652 0.000 2.081 232 R HA -0.145 4.197 4.340 0.003 0.000 0.235 232 R C 2.155 178.418 176.300 -0.061 0.000 1.131 232 R CA 1.288 56.919 56.100 -0.780 0.000 0.960 232 R CB -0.224 29.317 30.300 -1.265 0.000 0.856 232 R HN 0.214 nan 8.270 nan 0.000 0.436 233 A N 1.144 123.875 122.820 -0.147 0.000 1.858 233 A HA -0.124 4.197 4.320 0.003 0.000 0.216 233 A C 2.217 179.908 177.584 0.178 0.000 1.190 233 A CA 1.330 53.336 52.037 -0.052 0.000 0.617 233 A CB -0.629 18.069 19.000 -0.503 0.000 0.827 233 A HN 0.352 nan 8.150 nan 0.000 0.443 234 L N -2.109 119.146 121.223 0.053 0.000 2.046 234 L HA -0.175 4.167 4.340 0.003 0.000 0.208 234 L C 2.518 179.501 176.870 0.188 0.000 1.077 234 L CA 1.303 56.219 54.840 0.126 0.000 0.747 234 L CB -0.580 41.428 42.059 -0.084 0.000 0.896 234 L HN 0.348 nan 8.230 nan 0.000 0.432 235 F N 0.205 120.289 119.950 0.223 0.000 2.126 235 F HA -0.222 4.307 4.527 0.003 0.000 0.299 235 F C 2.581 178.658 175.800 0.462 0.000 1.096 235 F CA 1.238 59.428 58.000 0.317 0.000 1.255 235 F CB -0.823 38.370 39.000 0.321 0.000 0.997 235 F HN 0.014 nan 8.300 nan 0.000 0.479 236 A N -0.535 122.737 122.820 0.753 0.000 2.019 236 A HA 0.068 4.390 4.320 0.003 0.000 0.219 236 A C 2.143 179.934 177.584 0.346 0.000 1.164 236 A CA 1.420 53.781 52.037 0.540 0.000 0.644 236 A CB -1.048 18.206 19.000 0.422 0.000 0.805 236 A HN 0.250 nan 8.150 nan 0.000 0.449 237 A N -1.848 121.189 122.820 0.361 0.000 2.307 237 A HA 0.449 4.770 4.320 0.003 0.000 0.218 237 A C 1.608 179.301 177.584 0.182 0.000 1.228 237 A CA 0.995 53.176 52.037 0.241 0.000 0.857 237 A CB -0.871 18.299 19.000 0.282 0.000 0.897 237 A HN 1.798 nan 8.150 nan 0.000 0.495 238 G N -1.351 107.586 108.800 0.230 0.000 2.143 238 G HA2 -0.228 3.733 3.960 0.003 0.000 0.249 238 G HA3 -0.228 3.733 3.960 0.003 0.000 0.249 238 G C 0.111 175.100 174.900 0.148 0.000 0.981 238 G CA 0.538 45.751 45.100 0.187 0.000 0.665 238 G HN 0.392 nan 8.290 nan 0.000 0.528 239 M N -0.696 118.978 119.600 0.124 0.000 2.644 239 M HA 0.527 5.008 4.480 0.003 0.000 0.316 239 M C 0.417 176.637 176.300 -0.134 0.000 1.200 239 M CA -0.856 54.456 55.300 0.020 0.000 0.944 239 M CB 2.088 34.695 32.600 0.012 0.000 1.691 239 M HN 0.123 nan 8.290 nan 0.000 0.471 240 R N 2.606 122.988 120.500 -0.196 0.000 2.295 240 R HA 0.465 4.806 4.340 0.003 0.000 0.324 240 R C -2.477 173.575 176.300 -0.413 0.000 0.968 240 R CA -1.506 54.352 56.100 -0.404 0.000 0.837 240 R CB 1.229 31.426 30.300 -0.171 0.000 1.133 240 R HN 0.325 nan 8.270 nan 0.000 0.450 241 P HA 0.006 nan 4.420 nan 0.000 0.268 241 P C -0.013 177.154 177.300 -0.222 0.000 1.205 241 P CA -0.127 62.769 63.100 -0.340 0.000 0.771 241 P CB 0.975 32.483 31.700 -0.319 0.000 0.858 242 I N 0.873 121.340 120.570 -0.172 0.000 3.570 242 I HA 0.117 4.289 4.170 0.003 0.000 0.270 242 I C 0.768 176.821 176.117 -0.106 0.000 1.162 242 I CA 0.955 62.172 61.300 -0.138 0.000 1.413 242 I CB -0.963 36.958 38.000 -0.132 0.000 1.437 242 I HN 0.528 nan 8.210 nan 0.000 0.457 243 N N -1.274 117.358 118.700 -0.113 0.000 3.533 243 N HA 0.080 4.821 4.740 0.003 0.000 0.229 243 N C -0.028 175.412 175.510 -0.117 0.000 1.418 243 N CA -0.512 52.479 53.050 -0.097 0.000 0.880 243 N CB 0.295 38.737 38.487 -0.075 0.000 1.415 243 N HN -0.272 nan 8.380 nan 0.000 0.491 244 N N -0.338 118.296 118.700 -0.110 0.000 2.035 244 N HA -0.258 4.484 4.740 0.003 0.000 0.161 244 N C 1.418 176.856 175.510 -0.119 0.000 0.770 244 N CA 2.636 55.614 53.050 -0.120 0.000 0.860 244 N CB -0.899 37.535 38.487 -0.088 0.000 0.952 244 N HN 0.441 nan 8.380 nan 0.000 1.060 245 V N 0.846 120.701 119.914 -0.098 0.000 2.233 245 V HA -0.201 3.921 4.120 0.003 0.000 0.247 245 V C 2.543 178.568 176.094 -0.115 0.000 1.050 245 V CA 1.771 64.014 62.300 -0.096 0.000 1.010 245 V CB -0.671 31.101 31.823 -0.084 0.000 0.637 245 V HN 0.161 nan 8.190 nan 0.000 0.444 246 V N 0.333 120.169 119.914 -0.131 0.000 2.287 246 V HA -0.297 3.825 4.120 0.003 0.000 0.248 246 V C 2.293 178.316 176.094 -0.117 0.000 1.053 246 V CA 2.366 64.577 62.300 -0.148 0.000 1.027 246 V CB -0.878 30.856 31.823 -0.148 0.000 0.646 246 V HN 0.541 nan 8.190 nan 0.000 0.447 247 D N -0.018 120.307 120.400 -0.124 0.000 2.116 247 D HA -0.162 4.479 4.640 0.003 0.000 0.193 247 D C 2.138 178.394 176.300 -0.073 0.000 0.998 247 D CA 1.380 55.305 54.000 -0.126 0.000 0.836 247 D CB -0.524 40.158 40.800 -0.196 0.000 0.951 247 D HN 0.274 nan 8.370 nan 0.000 0.449 248 V N 1.006 120.869 119.914 -0.086 0.000 2.287 248 V HA -0.274 3.847 4.120 0.003 0.000 0.248 248 V C 2.685 178.813 176.094 0.056 0.000 1.053 248 V CA 2.320 64.609 62.300 -0.018 0.000 1.027 248 V CB -1.011 30.788 31.823 -0.041 0.000 0.646 248 V HN 0.442 nan 8.190 nan 0.000 0.447 249 T N -1.757 112.794 114.554 -0.004 0.000 2.833 249 T HA -0.208 4.144 4.350 0.003 0.000 0.269 249 T C 1.696 176.418 174.700 0.036 0.000 1.054 249 T CA 1.717 63.818 62.100 0.001 0.000 1.135 249 T CB -0.444 68.381 68.868 -0.072 0.000 0.869 249 T HN 0.428 nan 8.240 nan 0.000 0.466 250 N N 0.247 118.971 118.700 0.040 0.000 2.250 250 N HA 0.016 4.758 4.740 0.003 0.000 0.181 250 N C 1.519 177.127 175.510 0.162 0.000 1.017 250 N CA 0.920 54.011 53.050 0.068 0.000 0.866 250 N CB -0.551 37.958 38.487 0.037 0.000 0.985 250 N HN 0.511 nan 8.380 nan 0.000 0.429 251 Y N 2.132 122.477 120.300 0.074 0.000 2.097 251 Y HA -0.194 4.358 4.550 0.003 0.000 0.282 251 Y C 2.257 178.313 175.900 0.260 0.000 1.152 251 Y CA 1.369 59.588 58.100 0.199 0.000 1.136 251 Y CB -0.400 38.093 38.460 0.055 0.000 0.975 251 Y HN -0.214 nan 8.280 nan 0.000 0.498 252 V N 0.806 120.875 119.914 0.258 0.000 2.407 252 V HA -0.373 3.748 4.120 0.003 0.000 0.248 252 V C 2.492 178.596 176.094 0.017 0.000 1.055 252 V CA 2.092 64.472 62.300 0.132 0.000 1.049 252 V CB -0.789 31.110 31.823 0.127 0.000 0.662 252 V HN 0.598 nan 8.190 nan 0.000 0.455 253 M N -0.240 119.370 119.600 0.018 0.000 2.073 253 M HA -0.219 4.263 4.480 0.003 0.000 0.258 253 M C 2.115 178.359 176.300 -0.094 0.000 1.070 253 M CA 2.163 57.439 55.300 -0.041 0.000 1.103 253 M CB -0.230 32.358 32.600 -0.021 0.000 1.321 253 M HN 0.259 nan 8.290 nan 0.000 0.405 254 L N -0.264 120.909 121.223 -0.083 0.000 2.141 254 L HA -0.191 4.150 4.340 0.003 0.000 0.209 254 L C 2.485 179.152 176.870 -0.338 0.000 1.094 254 L CA 1.636 56.352 54.840 -0.206 0.000 0.763 254 L CB -0.923 41.017 42.059 -0.198 0.000 0.908 254 L HN 0.522 nan 8.230 nan 0.000 0.437 255 E N 1.784 121.835 120.200 -0.248 0.000 2.047 255 E HA -0.193 4.159 4.350 0.003 0.000 0.191 255 E C 1.519 177.927 176.600 -0.319 0.000 0.987 255 E CA 1.017 57.246 56.400 -0.286 0.000 0.799 255 E CB 0.225 29.863 29.700 -0.103 0.000 0.752 255 E HN 0.509 nan 8.360 nan 0.000 0.449 256 R N -0.827 119.541 120.500 -0.220 0.000 2.727 256 R HA 0.543 4.885 4.340 0.003 0.000 0.410 256 R C 0.008 176.201 176.300 -0.177 0.000 1.101 256 R CA 0.213 56.183 56.100 -0.216 0.000 1.045 256 R CB 0.536 30.733 30.300 -0.172 0.000 1.380 256 R HN 0.122 nan 8.270 nan 0.000 0.587 257 A N 1.255 123.963 122.820 -0.186 0.000 2.511 257 A HA -0.259 4.063 4.320 0.003 0.000 0.297 257 A C 0.051 177.528 177.584 -0.179 0.000 1.476 257 A CA 1.605 53.536 52.037 -0.176 0.000 0.757 257 A CB -1.289 17.615 19.000 -0.160 0.000 1.072 257 A HN 0.683 nan 8.150 nan 0.000 0.413 258 Q N -0.748 118.957 119.800 -0.159 0.000 2.695 258 Q HA 0.543 4.884 4.340 0.003 0.000 0.246 258 Q C -2.995 172.935 176.000 -0.116 0.000 0.961 258 Q CA -1.909 53.810 55.803 -0.140 0.000 0.708 258 Q CB 1.380 30.076 28.738 -0.070 0.000 1.282 258 Q HN 0.334 nan 8.270 nan 0.000 0.482 259 P HA 0.202 nan 4.420 nan 0.000 0.268 259 P C -0.899 176.480 177.300 0.132 0.000 1.205 259 P CA 0.261 63.329 63.100 -0.052 0.000 0.771 259 P CB 0.505 32.118 31.700 -0.145 0.000 0.858 260 M N 0.735 120.413 119.600 0.129 0.000 2.470 260 M HA 0.555 5.036 4.480 0.003 0.000 0.285 260 M C -1.559 174.819 176.300 0.130 0.000 1.213 260 M CA -0.674 54.707 55.300 0.134 0.000 0.901 260 M CB 2.968 35.604 32.600 0.060 0.000 1.718 260 M HN 0.250 nan 8.290 nan 0.000 0.469 261 H N 1.173 120.252 119.070 0.014 0.000 2.679 261 H HA 0.765 5.322 4.556 0.003 0.000 0.360 261 H C -1.908 173.288 175.328 -0.220 0.000 1.105 261 H CA -0.349 55.606 56.048 -0.155 0.000 1.196 261 H CB 2.325 31.922 29.762 -0.275 0.000 1.636 261 H HN 1.026 nan 8.280 nan 0.000 0.531 262 A N 5.189 127.647 122.820 -0.604 0.000 2.260 262 A HA 0.506 4.827 4.320 0.003 0.000 0.314 262 A C -1.270 176.109 177.584 -0.342 0.000 1.257 262 A CA -0.453 51.406 52.037 -0.296 0.000 0.871 262 A CB -0.195 18.674 19.000 -0.218 0.000 1.166 262 A HN 0.449 nan 8.150 nan 0.000 0.522 263 F N 1.659 121.667 119.950 0.096 0.000 2.427 263 F HA 0.251 4.780 4.527 0.003 0.000 0.346 263 F C 0.623 176.482 175.800 0.099 0.000 1.120 263 F CA -0.556 57.526 58.000 0.136 0.000 1.033 263 F CB 1.482 40.560 39.000 0.130 0.000 1.126 263 F HN 0.581 nan 8.300 nan 0.000 0.462 264 D N 3.848 124.434 120.400 0.309 0.000 2.401 264 D HA 0.024 4.665 4.640 0.003 0.000 0.254 264 D C 1.171 177.636 176.300 0.274 0.000 1.192 264 D CA 0.371 54.535 54.000 0.273 0.000 0.885 264 D CB 0.969 41.978 40.800 0.349 0.000 1.147 264 D HN 0.605 nan 8.370 nan 0.000 0.478 265 L N 4.085 125.403 121.223 0.158 0.000 2.187 265 L HA -0.190 4.151 4.340 0.003 0.000 0.213 265 L C 2.491 179.382 176.870 0.035 0.000 1.100 265 L CA 0.844 55.732 54.840 0.080 0.000 0.765 265 L CB -0.178 41.934 42.059 0.088 0.000 0.904 265 L HN 0.413 nan 8.230 nan 0.000 0.437 266 R N -0.563 119.920 120.500 -0.029 0.000 2.174 266 R HA -0.216 4.125 4.340 0.003 0.000 0.253 266 R C 1.758 177.822 176.300 -0.393 0.000 1.165 266 R CA 1.726 57.658 56.100 -0.279 0.000 0.984 266 R CB -0.322 29.657 30.300 -0.536 0.000 0.873 266 R HN 0.288 nan 8.270 nan 0.000 0.456 267 F N -1.673 118.308 119.950 0.052 0.000 2.731 267 F HA 0.089 4.618 4.527 0.003 0.000 0.298 267 F C 1.870 177.770 175.800 0.167 0.000 1.106 267 F CA -0.075 57.970 58.000 0.076 0.000 1.329 267 F CB 0.256 39.319 39.000 0.106 0.000 1.100 267 F HN -0.245 nan 8.300 nan 0.000 0.592 268 V N -0.135 119.906 119.914 0.213 0.000 2.548 268 V HA 0.059 4.180 4.120 0.003 0.000 0.249 268 V C 1.890 177.996 176.094 0.019 0.000 1.055 268 V CA 1.285 63.622 62.300 0.061 0.000 1.065 268 V CB -1.084 30.655 31.823 -0.140 0.000 0.681 268 V HN 0.562 nan 8.190 nan 0.000 0.462 269 G N 0.390 109.209 108.800 0.031 0.000 2.514 269 G HA2 -0.335 3.627 3.960 0.003 0.000 0.265 269 G HA3 -0.335 3.627 3.960 0.003 0.000 0.265 269 G C 0.607 175.379 174.900 -0.212 0.000 1.150 269 G CA 0.434 45.519 45.100 -0.026 0.000 0.959 269 G HN 0.376 nan 8.290 nan 0.000 0.556 270 E N 1.084 121.015 120.200 -0.449 0.000 2.285 270 E HA 0.364 4.715 4.350 0.003 0.000 0.194 270 E C 1.189 177.323 176.600 -0.776 0.000 0.997 270 E CA 0.706 56.770 56.400 -0.560 0.000 0.845 270 E CB 0.151 29.503 29.700 -0.580 0.000 0.782 270 E HN 1.177 nan 8.360 nan 0.000 0.491 271 G N 0.105 108.198 108.800 -1.179 0.000 2.349 271 G HA2 0.309 4.270 3.960 0.003 0.000 0.294 271 G HA3 0.309 4.270 3.960 0.003 0.000 0.294 271 G C -1.601 172.917 174.900 -0.636 0.000 1.380 271 G CA -0.931 43.632 45.100 -0.896 0.000 0.811 271 G HN -0.083 nan 8.290 nan 0.000 0.519 272 I N 1.089 121.572 120.570 -0.145 0.000 2.353 272 I HA 0.617 4.788 4.170 0.003 0.000 0.293 272 I C 0.502 176.722 176.117 0.172 0.000 0.992 272 I CA -0.624 60.643 61.300 -0.056 0.000 1.268 272 I CB 1.090 39.052 38.000 -0.063 0.000 1.387 272 I HN 0.754 nan 8.210 nan 0.000 0.478 273 A N 6.954 129.825 122.820 0.085 0.000 2.319 273 A HA 0.644 4.965 4.320 0.003 0.000 0.310 273 A C -0.719 176.775 177.584 -0.150 0.000 1.152 273 A CA -0.505 51.542 52.037 0.017 0.000 0.783 273 A CB 1.165 20.188 19.000 0.037 0.000 1.184 273 A HN 0.400 nan 8.150 nan 0.000 0.474 274 V N 4.509 124.276 119.914 -0.245 0.000 2.348 274 V HA 0.656 4.777 4.120 0.003 0.000 0.270 274 V C 0.409 176.408 176.094 -0.158 0.000 1.037 274 V CA -0.094 62.047 62.300 -0.264 0.000 0.872 274 V CB 0.090 31.631 31.823 -0.469 0.000 1.002 274 V HN 1.102 nan 8.190 nan 0.000 0.464 275 R N 3.387 123.818 120.500 -0.115 0.000 2.762 275 R HA 0.736 5.077 4.340 0.003 0.000 0.271 275 R C -1.094 175.168 176.300 -0.063 0.000 1.038 275 R CA -1.295 54.754 56.100 -0.086 0.000 0.906 275 R CB 1.318 31.561 30.300 -0.095 0.000 1.259 275 R HN 0.342 nan 8.270 nan 0.000 0.457 276 R N 0.374 120.847 120.500 -0.045 0.000 2.531 276 R HA 0.536 4.877 4.340 0.003 0.000 0.273 276 R C -0.340 175.949 176.300 -0.019 0.000 1.070 276 R CA 0.519 56.606 56.100 -0.022 0.000 1.112 276 R CB 1.210 31.508 30.300 -0.005 0.000 1.049 276 R HN 0.740 nan 8.270 nan 0.000 0.508 277 A N 2.613 125.434 122.820 0.001 0.000 2.332 277 A HA 0.447 4.769 4.320 0.003 0.000 0.258 277 A C -0.411 177.176 177.584 0.004 0.000 1.087 277 A CA -0.410 51.630 52.037 0.006 0.000 0.802 277 A CB 0.391 19.408 19.000 0.028 0.000 1.042 277 A HN 0.476 nan 8.150 nan 0.000 0.489 278 R N 1.205 121.705 120.500 -0.000 0.000 2.457 278 R HA 0.275 4.617 4.340 0.003 0.000 0.284 278 R C -0.272 176.020 176.300 -0.013 0.000 1.024 278 R CA -0.525 55.570 56.100 -0.009 0.000 1.025 278 R CB 0.118 30.414 30.300 -0.006 0.000 1.063 278 R HN 0.808 nan 8.270 nan 0.000 0.493 279 E N 0.607 120.787 120.200 -0.034 0.000 2.529 279 E HA 0.028 4.379 4.350 0.003 0.000 0.259 279 E C 0.767 177.349 176.600 -0.030 0.000 0.966 279 E CA 1.258 57.624 56.400 -0.056 0.000 0.937 279 E CB 0.211 29.866 29.700 -0.075 0.000 0.923 279 E HN 0.811 nan 8.360 nan 0.000 0.468 280 G N 3.583 112.369 108.800 -0.024 0.000 2.304 280 G HA2 -0.399 3.562 3.960 0.003 0.000 0.252 280 G HA3 -0.399 3.562 3.960 0.003 0.000 0.252 280 G C 0.346 175.256 174.900 0.017 0.000 1.014 280 G CA 0.471 45.569 45.100 -0.003 0.000 0.619 280 G HN 0.639 nan 8.290 nan 0.000 0.525 281 E N 1.528 121.739 120.200 0.019 0.000 2.765 281 E HA 0.160 4.512 4.350 0.003 0.000 0.256 281 E C 0.911 177.534 176.600 0.039 0.000 0.935 281 E CA 0.240 56.658 56.400 0.030 0.000 0.954 281 E CB 0.220 29.937 29.700 0.028 0.000 0.908 281 E HN 0.564 nan 8.360 nan 0.000 0.500 282 R N 3.707 124.230 120.500 0.039 0.000 2.532 282 R HA 0.608 4.950 4.340 0.003 0.000 0.272 282 R C -0.496 175.825 176.300 0.035 0.000 1.032 282 R CA -0.754 55.368 56.100 0.038 0.000 1.089 282 R CB 0.985 31.304 30.300 0.033 0.000 1.098 282 R HN 0.509 nan 8.270 nan 0.000 0.526 283 L N 1.691 122.928 121.223 0.024 0.000 2.710 283 L HA 0.269 4.610 4.340 0.003 0.000 0.262 283 L C -1.448 175.420 176.870 -0.004 0.000 0.940 283 L CA -0.587 54.259 54.840 0.010 0.000 0.944 283 L CB 1.831 43.885 42.059 -0.007 0.000 1.348 283 L HN 0.618 nan 8.230 nan 0.000 0.425 284 K N 3.478 123.874 120.400 -0.007 0.000 2.262 284 K HA 0.434 4.756 4.320 0.003 0.000 0.282 284 K C 0.016 176.600 176.600 -0.027 0.000 1.066 284 K CA -0.291 55.988 56.287 -0.014 0.000 0.901 284 K CB 1.055 33.546 32.500 -0.015 0.000 1.089 284 K HN 0.663 nan 8.250 nan 0.000 0.476 285 T N 0.935 115.471 114.554 -0.030 0.000 2.816 285 T HA 0.166 4.518 4.350 0.003 0.000 0.282 285 T C 1.619 176.301 174.700 -0.030 0.000 0.993 285 T CA -0.808 61.269 62.100 -0.039 0.000 0.994 285 T CB 0.660 69.500 68.868 -0.047 0.000 1.025 285 T HN 0.586 nan 8.240 nan 0.000 0.529 286 L N 0.767 121.973 121.223 -0.028 0.000 2.189 286 L HA -0.112 4.230 4.340 0.003 0.000 0.214 286 L C 2.199 179.059 176.870 -0.017 0.000 1.097 286 L CA 1.659 56.487 54.840 -0.019 0.000 0.764 286 L CB -0.781 41.277 42.059 -0.002 0.000 0.900 286 L HN 0.813 nan 8.230 nan 0.000 0.436 287 D N -0.490 119.903 120.400 -0.012 0.000 2.378 287 D HA -0.037 4.605 4.640 0.003 0.000 0.227 287 D C 1.468 177.766 176.300 -0.003 0.000 1.012 287 D CA 0.832 54.829 54.000 -0.005 0.000 0.905 287 D CB -0.264 40.537 40.800 0.002 0.000 0.895 287 D HN 0.275 nan 8.370 nan 0.000 0.532 288 G N -0.798 107.997 108.800 -0.008 0.000 2.136 288 G HA2 -0.233 3.729 3.960 0.003 0.000 0.242 288 G HA3 -0.233 3.729 3.960 0.003 0.000 0.242 288 G C -0.006 174.895 174.900 0.001 0.000 0.989 288 G CA 0.167 45.264 45.100 -0.005 0.000 0.682 288 G HN 0.399 nan 8.290 nan 0.000 0.522 289 V N 0.529 120.444 119.914 0.001 0.000 2.407 289 V HA 0.524 4.645 4.120 0.003 0.000 0.278 289 V C 0.509 176.609 176.094 0.009 0.000 1.037 289 V CA -0.732 61.574 62.300 0.009 0.000 0.900 289 V CB 1.698 33.531 31.823 0.016 0.000 0.983 289 V HN 0.377 nan 8.190 nan 0.000 0.459 290 E N 5.088 125.297 120.200 0.014 0.000 2.257 290 E HA 0.358 4.709 4.350 0.003 0.000 0.278 290 E C -0.195 176.424 176.600 0.032 0.000 1.049 290 E CA 0.136 56.546 56.400 0.017 0.000 0.876 290 E CB 0.422 30.132 29.700 0.017 0.000 1.035 290 E HN 0.560 nan 8.360 nan 0.000 0.419 291 R N 2.306 122.827 120.500 0.036 0.000 2.892 291 R HA 0.590 4.931 4.340 0.003 0.000 0.265 291 R C -0.751 175.598 176.300 0.080 0.000 1.025 291 R CA -0.934 55.210 56.100 0.073 0.000 0.982 291 R CB 2.050 32.391 30.300 0.069 0.000 1.185 291 R HN 0.379 nan 8.270 nan 0.000 0.484 292 T N 2.220 116.847 114.554 0.123 0.000 2.779 292 T HA 0.417 4.768 4.350 0.003 0.000 0.280 292 T C 0.019 174.830 174.700 0.185 0.000 0.987 292 T CA -0.686 61.476 62.100 0.104 0.000 0.966 292 T CB 0.797 69.704 68.868 0.065 0.000 0.933 292 T HN 0.177 nan 8.240 nan 0.000 0.442 293 L N 2.558 123.868 121.223 0.145 0.000 2.421 293 L HA 0.456 4.797 4.340 0.003 0.000 0.263 293 L C 0.546 177.514 176.870 0.163 0.000 1.122 293 L CA -1.052 53.905 54.840 0.196 0.000 0.804 293 L CB 0.595 42.717 42.059 0.104 0.000 1.150 293 L HN 0.576 nan 8.230 nan 0.000 0.457 294 H N 3.420 122.549 119.070 0.099 0.000 2.472 294 H HA 0.241 4.799 4.556 0.003 0.000 0.338 294 H C -2.041 173.304 175.328 0.028 0.000 1.133 294 H CA -2.161 53.911 56.048 0.041 0.000 1.216 294 H CB 2.365 32.141 29.762 0.024 0.000 1.497 294 H HN 0.287 nan 8.280 nan 0.000 0.500 295 P HA -0.101 nan 4.420 nan 0.000 0.234 295 P C 0.556 177.979 177.300 0.204 0.000 1.162 295 P CA 1.017 64.164 63.100 0.078 0.000 0.759 295 P CB 0.346 32.022 31.700 -0.039 0.000 0.813 296 E N -0.591 119.877 120.200 0.446 0.000 2.400 296 E HA 0.002 4.354 4.350 0.003 0.000 0.195 296 E C 0.045 176.682 176.600 0.062 0.000 1.012 296 E CA -0.148 56.351 56.400 0.165 0.000 0.875 296 E CB 0.091 29.774 29.700 -0.028 0.000 0.859 296 E HN 0.263 nan 8.360 nan 0.000 0.498 297 D N 1.502 121.959 120.400 0.096 0.000 2.417 297 D HA 0.005 4.646 4.640 0.003 0.000 0.250 297 D C -0.207 176.084 176.300 -0.015 0.000 1.166 297 D CA 0.193 54.214 54.000 0.035 0.000 0.881 297 D CB 0.886 41.735 40.800 0.081 0.000 1.164 297 D HN 0.026 nan 8.370 nan 0.000 0.467 298 L N 3.399 124.579 121.223 -0.073 0.000 2.349 298 L HA 0.324 4.665 4.340 0.003 0.000 0.275 298 L C -0.623 176.164 176.870 -0.138 0.000 1.115 298 L CA -0.215 54.564 54.840 -0.103 0.000 0.820 298 L CB 1.218 43.193 42.059 -0.140 0.000 1.135 298 L HN 0.085 nan 8.230 nan 0.000 0.445 299 V N 5.309 125.159 119.914 -0.106 0.000 2.962 299 V HA 0.438 4.560 4.120 0.003 0.000 0.313 299 V C -0.124 175.916 176.094 -0.091 0.000 1.099 299 V CA -0.892 61.349 62.300 -0.098 0.000 0.971 299 V CB 2.677 34.460 31.823 -0.067 0.000 1.028 299 V HN 0.450 nan 8.190 nan 0.000 0.430 300 I N 3.161 123.690 120.570 -0.068 0.000 2.291 300 I HA 0.599 4.771 4.170 0.003 0.000 0.290 300 I C 0.534 176.555 176.117 -0.160 0.000 1.050 300 I CA 0.096 61.338 61.300 -0.097 0.000 1.245 300 I CB 0.652 38.629 38.000 -0.039 0.000 1.405 300 I HN 0.774 nan 8.210 nan 0.000 0.478 301 A N 5.041 127.757 122.820 -0.173 0.000 2.299 301 A HA 0.950 5.272 4.320 0.003 0.000 0.332 301 A C 0.203 177.619 177.584 -0.280 0.000 1.131 301 A CA -0.433 51.482 52.037 -0.202 0.000 0.844 301 A CB 1.456 20.357 19.000 -0.165 0.000 1.251 301 A HN 0.712 nan 8.150 nan 0.000 0.486 302 G N -1.487 106.981 108.800 -0.554 0.000 2.569 302 G HA2 0.656 4.618 3.960 0.003 0.000 0.300 302 G HA3 0.656 4.618 3.960 0.003 0.000 0.300 302 G C -1.147 173.074 174.900 -1.131 0.000 1.269 302 G CA -0.446 44.226 45.100 -0.715 0.000 0.959 302 G HN 1.549 nan 8.290 nan 0.000 0.478 303 W N 0.315 121.193 121.300 -0.703 0.000 3.107 303 W HA 0.830 5.491 4.660 0.003 0.000 0.331 303 W C -1.058 175.492 176.519 0.052 0.000 1.204 303 W CA -1.609 55.502 57.345 -0.390 0.000 1.184 303 W CB 1.655 30.981 29.460 -0.224 0.000 1.421 303 W HN 0.613 nan 8.180 nan 0.000 0.544 304 R N 3.370 124.115 120.500 0.409 0.000 2.569 304 R HA 0.486 4.828 4.340 0.003 0.000 0.293 304 R C 0.677 177.150 176.300 0.288 0.000 1.186 304 R CA 0.325 56.588 56.100 0.272 0.000 0.956 304 R CB 0.992 31.456 30.300 0.273 0.000 1.196 304 R HN 1.467 nan 8.270 nan 0.000 0.444 305 G N 3.163 112.128 108.800 0.274 0.000 2.574 305 G HA2 -0.332 3.630 3.960 0.003 0.000 0.301 305 G HA3 -0.332 3.630 3.960 0.003 0.000 0.301 305 G C 0.302 175.325 174.900 0.204 0.000 1.166 305 G CA 0.359 45.580 45.100 0.203 0.000 0.971 305 G HN 0.582 nan 8.290 nan 0.000 0.542 306 E N 2.595 122.881 120.200 0.143 0.000 2.481 306 E HA 0.170 4.522 4.350 0.003 0.000 0.198 306 E C 1.082 177.752 176.600 0.116 0.000 1.027 306 E CA 0.899 57.358 56.400 0.098 0.000 0.900 306 E CB 0.299 30.035 29.700 0.059 0.000 0.993 306 E HN 0.826 nan 8.360 nan 0.000 0.482 307 E N 0.362 120.673 120.200 0.185 0.000 2.266 307 E HA 0.454 4.806 4.350 0.003 0.000 0.277 307 E C -0.420 176.356 176.600 0.293 0.000 1.018 307 E CA -0.485 56.051 56.400 0.226 0.000 0.840 307 E CB 1.664 31.514 29.700 0.250 0.000 1.082 307 E HN -0.250 nan 8.360 nan 0.000 0.395 308 S N 2.520 118.347 115.700 0.212 0.000 2.532 308 S HA 0.631 5.103 4.470 0.003 0.000 0.299 308 S C -1.441 173.232 174.600 0.122 0.000 1.105 308 S CA -0.841 57.389 58.200 0.051 0.000 1.018 308 S CB 0.250 63.439 63.200 -0.018 0.000 1.021 308 S HN 0.480 nan 8.310 nan 0.000 0.483 309 F N 2.172 122.171 119.950 0.082 0.000 2.576 309 F HA 0.775 5.303 4.527 0.003 0.000 0.313 309 F C -3.129 172.691 175.800 0.032 0.000 1.078 309 F CA -2.956 55.075 58.000 0.051 0.000 0.921 309 F CB 0.457 39.491 39.000 0.057 0.000 1.232 309 F HN 0.228 nan 8.300 nan 0.000 0.459 310 P HA 0.366 nan 4.420 nan 0.000 0.281 310 P C 0.011 177.376 177.300 0.108 0.000 1.252 310 P CA -0.230 62.904 63.100 0.057 0.000 0.778 310 P CB 1.366 33.092 31.700 0.043 0.000 0.895 311 L N 1.522 122.779 121.223 0.057 0.000 2.638 311 L HA 0.477 4.819 4.340 0.003 0.000 0.232 311 L C 1.000 177.973 176.870 0.171 0.000 1.099 311 L CA 0.205 55.121 54.840 0.127 0.000 0.883 311 L CB 0.233 42.327 42.059 0.058 0.000 1.136 311 L HN 0.561 nan 8.230 nan 0.000 0.492 312 G N -0.228 108.625 108.800 0.088 0.000 2.411 312 G HA2 0.264 4.225 3.960 0.003 0.000 0.295 312 G HA3 0.264 4.225 3.960 0.003 0.000 0.295 312 G C -1.696 173.183 174.900 -0.034 0.000 1.542 312 G CA -0.690 44.434 45.100 0.039 0.000 0.814 312 G HN -0.174 nan 8.290 nan 0.000 0.557 313 L N 2.061 123.228 121.223 -0.094 0.000 2.363 313 L HA 0.477 4.819 4.340 0.003 0.000 0.286 313 L C 1.365 178.124 176.870 -0.185 0.000 1.106 313 L CA -0.480 54.272 54.840 -0.147 0.000 0.859 313 L CB 0.462 42.412 42.059 -0.181 0.000 1.223 313 L HN 0.860 nan 8.230 nan 0.000 0.446 314 A N 3.449 126.116 122.820 -0.255 0.000 2.583 314 A HA 0.250 4.572 4.320 0.003 0.000 0.249 314 A C 1.448 178.567 177.584 -0.775 0.000 1.035 314 A CA 0.818 52.533 52.037 -0.537 0.000 0.777 314 A CB -0.261 18.330 19.000 -0.681 0.000 0.942 314 A HN 1.195 nan 8.150 nan 0.000 0.516 315 G N 0.981 109.342 108.800 -0.731 0.000 2.196 315 G HA2 -0.268 3.694 3.960 0.003 0.000 0.268 315 G HA3 -0.268 3.694 3.960 0.003 0.000 0.268 315 G C 0.727 175.682 174.900 0.093 0.000 0.975 315 G CA 0.969 45.853 45.100 -0.360 0.000 0.648 315 G HN 1.380 nan 8.290 nan 0.000 0.538 316 V N -0.996 118.906 119.914 -0.019 0.000 3.001 316 V HA 0.659 4.781 4.120 0.003 0.000 0.228 316 V C 0.667 176.775 176.094 0.024 0.000 1.204 316 V CA 1.730 64.046 62.300 0.027 0.000 1.247 316 V CB 0.674 32.472 31.823 -0.042 0.000 1.093 316 V HN 0.500 nan 8.190 nan 0.000 0.504 317 M N -0.347 119.230 119.600 -0.039 0.000 2.414 317 M HA 0.634 5.115 4.480 0.003 0.000 0.287 317 M C -0.500 175.722 176.300 -0.130 0.000 1.181 317 M CA -0.330 54.940 55.300 -0.049 0.000 0.933 317 M CB 2.018 34.592 32.600 -0.043 0.000 1.732 317 M HN 0.316 nan 8.290 nan 0.000 0.486 318 G N 1.491 110.168 108.800 -0.206 0.000 2.539 318 G HA2 0.531 4.492 3.960 0.003 0.000 0.258 318 G HA3 0.531 4.492 3.960 0.003 0.000 0.258 318 G C 0.044 174.846 174.900 -0.164 0.000 1.202 318 G CA -0.289 44.544 45.100 -0.445 0.000 0.851 318 G HN 0.911 nan 8.290 nan 0.000 0.556 319 G N -0.863 107.880 108.800 -0.096 0.000 2.491 319 G HA2 0.481 4.442 3.960 0.003 0.000 0.242 319 G HA3 0.481 4.442 3.960 0.003 0.000 0.242 319 G C 1.159 176.035 174.900 -0.041 0.000 1.266 319 G CA 0.488 45.571 45.100 -0.029 0.000 0.844 319 G HN 1.007 nan 8.290 nan 0.000 0.571 320 A N 1.251 124.038 122.820 -0.055 0.000 1.972 320 A HA -0.040 4.281 4.320 0.003 0.000 0.219 320 A C 2.005 179.512 177.584 -0.128 0.000 1.169 320 A CA 1.957 53.953 52.037 -0.067 0.000 0.635 320 A CB -0.371 18.597 19.000 -0.054 0.000 0.810 320 A HN 0.788 nan 8.150 nan 0.000 0.446 321 E N 0.086 120.166 120.200 -0.200 0.000 2.007 321 E HA -0.130 4.222 4.350 0.003 0.000 0.194 321 E C 1.732 177.955 176.600 -0.629 0.000 0.999 321 E CA 1.408 57.533 56.400 -0.458 0.000 0.811 321 E CB -0.111 29.291 29.700 -0.497 0.000 0.762 321 E HN 0.502 nan 8.360 nan 0.000 0.450 322 S N 1.091 116.575 115.700 -0.359 0.000 2.653 322 S HA -0.044 4.428 4.470 0.003 0.000 0.233 322 S C 0.295 174.905 174.600 0.018 0.000 0.970 322 S CA -0.005 58.140 58.200 -0.091 0.000 0.947 322 S CB -0.170 63.215 63.200 0.308 0.000 0.771 322 S HN 0.215 nan 8.310 nan 0.000 0.538 323 E N 1.631 121.806 120.200 -0.041 0.000 2.436 323 E HA 0.061 4.413 4.350 0.003 0.000 0.262 323 E C -0.367 176.230 176.600 -0.005 0.000 1.063 323 E CA -0.011 56.370 56.400 -0.031 0.000 0.944 323 E CB 0.602 30.278 29.700 -0.041 0.000 0.950 323 E HN -0.046 nan 8.360 nan 0.000 0.444 324 V N 5.519 125.406 119.914 -0.046 0.000 2.408 324 V HA 0.218 4.339 4.120 0.003 0.000 0.267 324 V C 0.899 176.985 176.094 -0.014 0.000 1.047 324 V CA 0.054 62.345 62.300 -0.016 0.000 0.937 324 V CB 0.630 32.418 31.823 -0.057 0.000 0.999 324 V HN 0.487 nan 8.190 nan 0.000 0.472 325 R N 2.725 123.237 120.500 0.019 0.000 2.981 325 R HA 0.438 4.780 4.340 0.003 0.000 0.228 325 R C 1.008 177.313 176.300 0.009 0.000 1.421 325 R CA -0.843 55.263 56.100 0.010 0.000 1.073 325 R CB 1.142 31.459 30.300 0.029 0.000 1.568 325 R HN 0.605 nan 8.270 nan 0.000 0.514 326 E N 0.626 120.829 120.200 0.005 0.000 2.150 326 E HA -0.148 4.203 4.350 0.003 0.000 0.193 326 E C 0.263 176.870 176.600 0.011 0.000 0.985 326 E CA 1.006 57.408 56.400 0.002 0.000 0.814 326 E CB 0.144 29.843 29.700 -0.001 0.000 0.752 326 E HN 0.375 nan 8.360 nan 0.000 0.466 327 D N 0.443 120.856 120.400 0.021 0.000 2.336 327 D HA -0.005 4.637 4.640 0.003 0.000 0.229 327 D C -0.202 176.117 176.300 0.033 0.000 1.061 327 D CA 0.388 54.402 54.000 0.024 0.000 0.875 327 D CB 0.228 41.043 40.800 0.024 0.000 0.904 327 D HN -0.017 nan 8.370 nan 0.000 0.525 328 T N 0.592 115.169 114.554 0.039 0.000 2.851 328 T HA 0.145 4.496 4.350 0.003 0.000 0.298 328 T C 1.297 176.024 174.700 0.046 0.000 0.977 328 T CA -0.054 62.078 62.100 0.052 0.000 1.126 328 T CB 1.741 70.644 68.868 0.059 0.000 0.916 328 T HN 0.080 nan 8.240 nan 0.000 0.529 329 E N 0.944 121.182 120.200 0.063 0.000 2.399 329 E HA 0.378 4.730 4.350 0.003 0.000 0.205 329 E C 0.408 177.073 176.600 0.110 0.000 0.906 329 E CA -0.177 56.267 56.400 0.074 0.000 0.998 329 E CB 0.749 30.497 29.700 0.080 0.000 1.002 329 E HN 0.630 nan 8.360 nan 0.000 0.501 330 A N 1.563 124.466 122.820 0.139 0.000 2.520 330 A HA 0.686 5.008 4.320 0.003 0.000 0.298 330 A C -0.942 176.758 177.584 0.194 0.000 1.051 330 A CA -0.787 51.372 52.037 0.202 0.000 0.690 330 A CB 1.044 20.246 19.000 0.336 0.000 1.281 330 A HN 0.233 nan 8.150 nan 0.000 0.402 331 I N -1.675 119.018 120.570 0.205 0.000 3.174 331 I HA 0.946 5.117 4.170 0.003 0.000 0.313 331 I C -0.162 176.079 176.117 0.206 0.000 1.155 331 I CA -1.282 60.123 61.300 0.176 0.000 0.977 331 I CB 2.389 40.457 38.000 0.113 0.000 1.248 331 I HN 0.794 nan 8.210 nan 0.000 0.453 332 A N 4.087 126.974 122.820 0.111 0.000 2.287 332 A HA 0.670 4.991 4.320 0.003 0.000 0.317 332 A C -0.858 176.859 177.584 0.222 0.000 1.220 332 A CA -0.545 51.509 52.037 0.027 0.000 0.835 332 A CB 1.000 19.776 19.000 -0.374 0.000 1.180 332 A HN 0.766 nan 8.150 nan 0.000 0.500 333 L N 2.909 124.261 121.223 0.215 0.000 2.255 333 L HA 0.297 4.639 4.340 0.003 0.000 0.289 333 L C 0.411 177.378 176.870 0.162 0.000 1.046 333 L CA -0.191 54.752 54.840 0.172 0.000 0.816 333 L CB 0.960 43.087 42.059 0.113 0.000 1.197 333 L HN 0.912 nan 8.230 nan 0.000 0.427 334 E N 4.812 125.146 120.200 0.223 0.000 2.194 334 E HA 0.339 4.691 4.350 0.003 0.000 0.284 334 E C -1.639 174.936 176.600 -0.043 0.000 1.035 334 E CA -0.492 55.962 56.400 0.090 0.000 0.836 334 E CB 1.297 31.230 29.700 0.388 0.000 1.070 334 E HN 0.363 nan 8.360 nan 0.000 0.401 335 V N 3.919 123.676 119.914 -0.262 0.000 2.498 335 V HA 0.629 4.751 4.120 0.003 0.000 0.283 335 V C -0.336 175.506 176.094 -0.420 0.000 1.015 335 V CA -0.345 61.835 62.300 -0.200 0.000 0.867 335 V CB 0.737 32.490 31.823 -0.116 0.000 1.025 335 V HN 0.834 nan 8.190 nan 0.000 0.441 336 A N 2.782 125.354 122.820 -0.414 0.000 2.504 336 A HA 0.917 5.239 4.320 0.003 0.000 0.285 336 A C -1.002 176.350 177.584 -0.387 0.000 1.261 336 A CA -0.549 51.127 52.037 -0.602 0.000 0.741 336 A CB 2.015 20.383 19.000 -1.054 0.000 1.327 336 A HN 1.036 nan 8.150 nan 0.000 0.441 337 C N 0.453 119.485 119.300 -0.446 0.000 2.346 337 C HA 0.828 5.289 4.460 0.003 0.000 0.326 337 C C -1.480 173.285 174.990 -0.375 0.000 1.224 337 C CA -0.955 57.960 59.018 -0.170 0.000 1.408 337 C CB -1.509 26.261 27.740 0.051 0.000 2.089 337 C HN 0.484 nan 8.230 nan 0.000 0.456 338 F N 2.782 122.647 119.950 -0.143 0.000 2.440 338 F HA 0.388 4.917 4.527 0.003 0.000 0.328 338 F C 0.584 176.362 175.800 -0.036 0.000 1.070 338 F CA -0.444 57.449 58.000 -0.180 0.000 1.011 338 F CB 0.677 39.395 39.000 -0.470 0.000 1.226 338 F HN 0.588 nan 8.300 nan 0.000 0.491 339 D N 2.827 123.349 120.400 0.203 0.000 2.389 339 D HA 0.109 4.751 4.640 0.003 0.000 0.263 339 D C -1.871 174.502 176.300 0.122 0.000 1.255 339 D CA -1.369 52.708 54.000 0.129 0.000 0.914 339 D CB 0.965 41.821 40.800 0.093 0.000 1.116 339 D HN 0.099 nan 8.370 nan 0.000 0.502 340 P HA -0.222 nan 4.420 nan 0.000 0.216 340 P C 1.385 178.735 177.300 0.083 0.000 1.154 340 P CA 0.811 63.985 63.100 0.123 0.000 0.865 340 P CB 0.187 31.950 31.700 0.105 0.000 0.789 341 V N -0.559 119.391 119.914 0.060 0.000 2.343 341 V HA -0.235 3.886 4.120 0.003 0.000 0.247 341 V C 2.607 178.717 176.094 0.025 0.000 1.051 341 V CA 2.381 64.704 62.300 0.038 0.000 1.036 341 V CB -1.640 30.200 31.823 0.029 0.000 0.654 341 V HN 0.228 nan 8.190 nan 0.000 0.451 342 S N -0.015 115.699 115.700 0.024 0.000 2.356 342 S HA -0.168 4.304 4.470 0.003 0.000 0.223 342 S C 2.009 176.601 174.600 -0.012 0.000 1.032 342 S CA 1.618 59.817 58.200 -0.002 0.000 1.005 342 S CB -0.291 62.906 63.200 -0.004 0.000 0.867 342 S HN 0.382 nan 8.310 nan 0.000 0.449 343 I N 2.390 122.961 120.570 0.002 0.000 2.127 343 I HA -0.155 4.016 4.170 0.003 0.000 0.241 343 I C 2.682 178.820 176.117 0.035 0.000 1.075 343 I CA 1.605 62.907 61.300 0.004 0.000 1.334 343 I CB -1.654 36.391 38.000 0.075 0.000 1.040 343 I HN 0.459 nan 8.210 nan 0.000 0.405 344 R N 1.532 122.063 120.500 0.051 0.000 2.115 344 R HA -0.236 4.106 4.340 0.003 0.000 0.239 344 R C 2.303 178.619 176.300 0.026 0.000 1.133 344 R CA 2.000 58.129 56.100 0.048 0.000 0.935 344 R CB -0.178 30.149 30.300 0.044 0.000 0.853 344 R HN 0.329 nan 8.270 nan 0.000 0.433 345 K N -0.503 119.900 120.400 0.005 0.000 1.987 345 K HA -0.142 4.179 4.320 0.003 0.000 0.216 345 K C 2.227 178.819 176.600 -0.014 0.000 1.051 345 K CA 2.415 58.688 56.287 -0.023 0.000 0.942 345 K CB -0.434 32.034 32.500 -0.055 0.000 0.722 345 K HN 0.283 nan 8.250 nan 0.000 0.444 346 T N 1.165 115.719 114.554 0.000 0.000 2.624 346 T HA -0.243 4.109 4.350 0.003 0.000 0.268 346 T C 1.961 176.738 174.700 0.129 0.000 1.041 346 T CA 1.739 63.879 62.100 0.066 0.000 1.159 346 T CB -0.436 68.446 68.868 0.024 0.000 0.863 346 T HN 0.417 nan 8.240 nan 0.000 0.434 347 A N 1.421 124.286 122.820 0.075 0.000 1.917 347 A HA -0.203 4.119 4.320 0.003 0.000 0.219 347 A C 2.351 179.985 177.584 0.085 0.000 1.182 347 A CA 2.007 54.094 52.037 0.083 0.000 0.633 347 A CB -0.531 18.513 19.000 0.074 0.000 0.819 347 A HN 0.281 nan 8.150 nan 0.000 0.448 348 R N -0.754 119.778 120.500 0.053 0.000 2.070 348 R HA -0.069 4.272 4.340 0.003 0.000 0.233 348 R C 2.386 178.690 176.300 0.007 0.000 1.137 348 R CA 1.722 57.837 56.100 0.027 0.000 0.945 348 R CB -0.610 29.693 30.300 0.006 0.000 0.845 348 R HN 0.641 nan 8.270 nan 0.000 0.430 349 R N -0.394 120.095 120.500 -0.018 0.000 2.154 349 R HA -0.187 4.155 4.340 0.003 0.000 0.248 349 R C 0.600 176.751 176.300 -0.249 0.000 1.155 349 R CA 2.002 58.020 56.100 -0.136 0.000 0.979 349 R CB -0.166 30.018 30.300 -0.193 0.000 0.869 349 R HN 0.415 nan 8.270 nan 0.000 0.452 350 H N -2.047 117.023 119.070 -0.001 0.000 2.592 350 H HA 0.288 4.846 4.556 0.003 0.000 0.279 350 H C 0.410 175.742 175.328 0.007 0.000 1.089 350 H CA 0.408 56.460 56.048 0.006 0.000 1.150 350 H CB 1.336 31.101 29.762 0.006 0.000 1.575 350 H HN 0.429 nan 8.280 nan 0.000 0.547 351 G N 1.390 110.242 108.800 0.088 0.000 2.338 351 G HA2 -0.278 3.683 3.960 0.003 0.000 0.296 351 G HA3 -0.278 3.683 3.960 0.003 0.000 0.296 351 G C -0.378 174.562 174.900 0.066 0.000 1.040 351 G CA 0.203 45.339 45.100 0.059 0.000 1.004 351 G HN 0.316 nan 8.290 nan 0.000 0.509 352 L N -0.522 120.746 121.223 0.075 0.000 2.354 352 L HA 0.846 5.187 4.340 0.003 0.000 0.269 352 L C 0.399 177.303 176.870 0.056 0.000 1.005 352 L CA -1.291 53.584 54.840 0.059 0.000 0.819 352 L CB 2.204 44.296 42.059 0.054 0.000 1.311 352 L HN 0.157 nan 8.230 nan 0.000 0.423 353 R N 1.997 122.525 120.500 0.047 0.000 2.631 353 R HA 0.383 4.725 4.340 0.003 0.000 0.289 353 R C -1.251 175.075 176.300 0.043 0.000 1.303 353 R CA -0.251 55.879 56.100 0.050 0.000 0.989 353 R CB 1.472 31.790 30.300 0.029 0.000 1.208 353 R HN 0.841 nan 8.270 nan 0.000 0.461 354 T N -0.758 113.836 114.554 0.067 0.000 2.940 354 T HA 0.368 4.720 4.350 0.003 0.000 0.288 354 T C 0.974 175.723 174.700 0.082 0.000 1.045 354 T CA -0.716 61.420 62.100 0.060 0.000 1.018 354 T CB 1.662 70.569 68.868 0.064 0.000 1.151 354 T HN 0.364 nan 8.240 nan 0.000 0.529 355 E N 0.413 120.648 120.200 0.058 0.000 2.209 355 E HA -0.148 4.204 4.350 0.003 0.000 0.196 355 E C 2.146 178.783 176.600 0.061 0.000 0.993 355 E CA 1.479 57.915 56.400 0.060 0.000 0.819 355 E CB -0.536 29.180 29.700 0.028 0.000 0.745 355 E HN 0.782 nan 8.360 nan 0.000 0.477 356 A N 1.501 124.365 122.820 0.073 0.000 1.855 356 A HA -0.127 4.195 4.320 0.003 0.000 0.213 356 A C 2.459 180.144 177.584 0.167 0.000 1.195 356 A CA 1.736 53.819 52.037 0.076 0.000 0.610 356 A CB -0.607 18.521 19.000 0.214 0.000 0.837 356 A HN 0.337 nan 8.150 nan 0.000 0.444 357 S N -0.370 115.460 115.700 0.218 0.000 2.370 357 S HA -0.316 4.156 4.470 0.003 0.000 0.226 357 S C 1.921 176.638 174.600 0.194 0.000 1.033 357 S CA 1.857 60.198 58.200 0.235 0.000 1.011 357 S CB -0.923 62.370 63.200 0.156 0.000 0.852 357 S HN 0.720 nan 8.310 nan 0.000 0.457 358 H N 2.110 121.214 119.070 0.058 0.000 2.319 358 H HA 0.000 4.558 4.556 0.003 0.000 0.297 358 H C 2.306 177.637 175.328 0.005 0.000 1.097 358 H CA 2.259 58.324 56.048 0.028 0.000 1.285 358 H CB -0.235 29.530 29.762 0.004 0.000 1.368 358 H HN 0.429 nan 8.280 nan 0.000 0.495 359 R N -1.290 119.120 120.500 -0.150 0.000 2.075 359 R HA -0.051 4.291 4.340 0.003 0.000 0.226 359 R C 2.135 178.316 176.300 -0.197 0.000 1.114 359 R CA 1.178 57.109 56.100 -0.281 0.000 0.972 359 R CB -0.208 29.886 30.300 -0.344 0.000 0.869 359 R HN 0.281 nan 8.270 nan 0.000 0.437 360 F N 1.505 121.476 119.950 0.035 0.000 2.293 360 F HA -0.084 4.445 4.527 0.003 0.000 0.300 360 F C 2.145 177.973 175.800 0.047 0.000 1.086 360 F CA 1.031 59.080 58.000 0.083 0.000 1.375 360 F CB -0.245 38.862 39.000 0.178 0.000 1.045 360 F HN 0.054 nan 8.300 nan 0.000 0.516 361 E N -0.262 120.041 120.200 0.172 0.000 2.046 361 E HA -0.174 4.178 4.350 0.003 0.000 0.190 361 E C 2.217 178.837 176.600 0.032 0.000 0.982 361 E CA 0.823 57.281 56.400 0.096 0.000 0.800 361 E CB -0.097 29.645 29.700 0.071 0.000 0.756 361 E HN 0.151 nan 8.360 nan 0.000 0.449 362 R N -0.308 120.156 120.500 -0.060 0.000 2.237 362 R HA 0.032 4.374 4.340 0.003 0.000 0.219 362 R C 0.288 176.574 176.300 -0.023 0.000 1.080 362 R CA 0.808 56.861 56.100 -0.078 0.000 0.995 362 R CB 0.254 30.437 30.300 -0.195 0.000 0.875 362 R HN 0.242 nan 8.270 nan 0.000 0.462 363 G N -1.518 107.292 108.800 0.017 0.000 2.640 363 G HA2 -0.040 3.921 3.960 0.003 0.000 0.686 363 G HA3 -0.040 3.921 3.960 0.003 0.000 0.686 363 G C -1.382 173.538 174.900 0.034 0.000 1.229 363 G CA -0.791 44.342 45.100 0.054 0.000 0.796 363 G HN 0.052 nan 8.290 nan 0.000 0.654 364 V N 1.570 121.533 119.914 0.082 0.000 2.962 364 V HA 0.591 4.713 4.120 0.003 0.000 0.313 364 V C -0.154 175.979 176.094 0.065 0.000 1.099 364 V CA -0.486 61.845 62.300 0.052 0.000 0.971 364 V CB 1.988 33.870 31.823 0.098 0.000 1.028 364 V HN 1.059 nan 8.190 nan 0.000 0.430 365 D N 6.169 126.598 120.400 0.049 0.000 2.402 365 D HA 0.038 4.680 4.640 0.003 0.000 0.268 365 D C -1.118 175.226 176.300 0.074 0.000 1.294 365 D CA -1.271 52.768 54.000 0.065 0.000 0.945 365 D CB 1.350 42.194 40.800 0.072 0.000 1.112 365 D HN 0.292 nan 8.370 nan 0.000 0.517 366 P HA -0.135 nan 4.420 nan 0.000 0.224 366 P C 0.723 178.058 177.300 0.058 0.000 1.142 366 P CA 0.877 64.013 63.100 0.060 0.000 0.778 366 P CB 0.271 31.983 31.700 0.020 0.000 0.764 367 L N -2.068 119.192 121.223 0.062 0.000 3.358 367 L HA 0.371 4.712 4.340 0.003 0.000 0.301 367 L C 1.908 178.833 176.870 0.091 0.000 1.276 367 L CA -0.025 54.854 54.840 0.064 0.000 1.028 367 L CB 0.294 42.359 42.059 0.010 0.000 1.421 367 L HN -0.117 nan 8.230 nan 0.000 0.604 368 G N -0.824 108.028 108.800 0.088 0.000 2.838 368 G HA2 -0.079 3.882 3.960 0.003 0.000 0.210 368 G HA3 -0.079 3.882 3.960 0.003 0.000 0.210 368 G C 1.156 176.082 174.900 0.043 0.000 1.153 368 G CA 0.058 45.189 45.100 0.051 0.000 0.778 368 G HN 0.189 nan 8.290 nan 0.000 0.539 369 Q N 0.734 120.573 119.800 0.064 0.000 1.998 369 Q HA -0.154 4.188 4.340 0.003 0.000 0.209 369 Q C 2.787 178.782 176.000 -0.008 0.000 1.002 369 Q CA 1.866 57.661 55.803 -0.012 0.000 0.858 369 Q CB -1.076 27.578 28.738 -0.140 0.000 0.932 369 Q HN 0.287 nan 8.270 nan 0.000 0.416 370 V N 0.963 120.899 119.914 0.036 0.000 2.332 370 V HA -0.219 3.903 4.120 0.003 0.000 0.248 370 V C -0.922 175.189 176.094 0.029 0.000 1.055 370 V CA 2.169 64.491 62.300 0.036 0.000 1.038 370 V CB -1.558 30.307 31.823 0.070 0.000 0.651 370 V HN 0.324 nan 8.190 nan 0.000 0.450 371 P HA -0.114 nan 4.420 nan 0.000 0.217 371 P C 1.629 178.936 177.300 0.010 0.000 1.150 371 P CA 1.839 64.949 63.100 0.017 0.000 0.832 371 P CB -0.123 31.583 31.700 0.009 0.000 0.787 372 A N -0.554 122.269 122.820 0.005 0.000 1.969 372 A HA -0.203 4.118 4.320 0.003 0.000 0.218 372 A C 2.256 179.849 177.584 0.014 0.000 1.169 372 A CA 1.214 53.253 52.037 0.004 0.000 0.635 372 A CB -1.074 17.921 19.000 -0.008 0.000 0.810 372 A HN 0.097 nan 8.150 nan 0.000 0.445 373 Q N -0.174 119.632 119.800 0.011 0.000 2.050 373 Q HA -0.172 4.170 4.340 0.003 0.000 0.202 373 Q C 2.264 178.282 176.000 0.029 0.000 0.980 373 Q CA 1.638 57.453 55.803 0.020 0.000 0.840 373 Q CB -0.310 28.441 28.738 0.021 0.000 0.898 373 Q HN 0.690 nan 8.270 nan 0.000 0.424 374 R N 0.008 120.524 120.500 0.027 0.000 2.091 374 R HA -0.081 4.261 4.340 0.003 0.000 0.238 374 R C 2.446 178.764 176.300 0.029 0.000 1.136 374 R CA 0.934 57.050 56.100 0.027 0.000 0.959 374 R CB -0.140 30.174 30.300 0.023 0.000 0.856 374 R HN 0.076 nan 8.270 nan 0.000 0.437 375 R N 0.341 120.862 120.500 0.035 0.000 2.073 375 R HA -0.062 4.279 4.340 0.003 0.000 0.234 375 R C 2.094 178.432 176.300 0.063 0.000 1.134 375 R CA 1.708 57.840 56.100 0.054 0.000 0.952 375 R CB -0.377 29.960 30.300 0.062 0.000 0.850 375 R HN 0.245 nan 8.270 nan 0.000 0.433 376 A N 0.857 123.710 122.820 0.054 0.000 1.873 376 A HA -0.090 4.232 4.320 0.003 0.000 0.215 376 A C 2.385 179.985 177.584 0.026 0.000 1.186 376 A CA 0.931 52.998 52.037 0.049 0.000 0.616 376 A CB -0.524 18.500 19.000 0.040 0.000 0.823 376 A HN 0.254 nan 8.150 nan 0.000 0.442 377 L N -0.647 120.589 121.223 0.022 0.000 2.046 377 L HA -0.169 4.173 4.340 0.003 0.000 0.208 377 L C 2.937 179.801 176.870 -0.009 0.000 1.077 377 L CA 1.500 56.342 54.840 0.004 0.000 0.747 377 L CB -0.497 41.571 42.059 0.015 0.000 0.896 377 L HN 0.515 nan 8.230 nan 0.000 0.432 378 S N 0.262 115.965 115.700 0.005 0.000 2.365 378 S HA -0.203 4.268 4.470 0.003 0.000 0.225 378 S C 2.020 176.620 174.600 -0.001 0.000 1.039 378 S CA 1.459 59.659 58.200 0.001 0.000 1.033 378 S CB -0.260 62.949 63.200 0.014 0.000 0.887 378 S HN 0.302 nan 8.310 nan 0.000 0.447 379 L N 0.854 122.087 121.223 0.017 0.000 2.083 379 L HA -0.052 4.290 4.340 0.003 0.000 0.209 379 L C 2.451 179.311 176.870 -0.018 0.000 1.083 379 L CA 0.997 55.846 54.840 0.016 0.000 0.752 379 L CB -0.449 41.636 42.059 0.042 0.000 0.899 379 L HN 0.358 nan 8.230 nan 0.000 0.433 380 L N -0.741 120.465 121.223 -0.029 0.000 2.083 380 L HA -0.259 4.083 4.340 0.003 0.000 0.209 380 L C 2.636 179.464 176.870 -0.070 0.000 1.083 380 L CA 1.279 56.087 54.840 -0.054 0.000 0.752 380 L CB -0.448 41.578 42.059 -0.055 0.000 0.899 380 L HN 0.373 nan 8.230 nan 0.000 0.433 381 Q N -0.087 119.672 119.800 -0.068 0.000 2.119 381 Q HA -0.170 4.172 4.340 0.003 0.000 0.201 381 Q C 2.191 178.154 176.000 -0.062 0.000 0.972 381 Q CA 1.582 57.335 55.803 -0.083 0.000 0.847 381 Q CB 0.012 28.703 28.738 -0.078 0.000 0.903 381 Q HN 0.504 nan 8.270 nan 0.000 0.433 382 A N -0.596 122.199 122.820 -0.041 0.000 2.021 382 A HA -0.005 4.317 4.320 0.003 0.000 0.216 382 A C 1.510 179.080 177.584 -0.023 0.000 1.163 382 A CA 0.715 52.736 52.037 -0.026 0.000 0.676 382 A CB 0.135 19.130 19.000 -0.008 0.000 0.818 382 A HN 0.373 nan 8.150 nan 0.000 0.453 383 L N -2.315 118.887 121.223 -0.035 0.000 2.537 383 L HA 0.379 4.721 4.340 0.003 0.000 0.224 383 L C 2.091 178.924 176.870 -0.061 0.000 1.065 383 L CA 1.310 56.120 54.840 -0.049 0.000 0.860 383 L CB -0.249 41.763 42.059 -0.079 0.000 1.086 383 L HN 0.290 nan 8.230 nan 0.000 0.482 384 A N -1.110 121.670 122.820 -0.066 0.000 2.470 384 A HA 0.538 4.860 4.320 0.003 0.000 0.251 384 A C 1.479 179.019 177.584 -0.073 0.000 1.245 384 A CA 0.391 52.388 52.037 -0.067 0.000 0.932 384 A CB -0.374 18.584 19.000 -0.071 0.000 1.037 384 A HN 0.363 nan 8.150 nan 0.000 0.522 385 G N -0.219 108.536 108.800 -0.075 0.000 2.305 385 G HA2 0.044 4.006 3.960 0.003 0.000 0.287 385 G HA3 0.044 4.006 3.960 0.003 0.000 0.287 385 G C 0.494 175.314 174.900 -0.133 0.000 1.036 385 G CA 0.556 45.604 45.100 -0.087 0.000 0.887 385 G HN 1.616 nan 8.290 nan 0.000 0.505 386 A N -0.420 122.306 122.820 -0.156 0.000 2.445 386 A HA 0.686 5.007 4.320 0.003 0.000 0.242 386 A C 0.854 178.225 177.584 -0.354 0.000 1.075 386 A CA 0.089 51.976 52.037 -0.250 0.000 0.777 386 A CB 0.388 19.264 19.000 -0.208 0.000 1.013 386 A HN 0.578 nan 8.150 nan 0.000 0.493 387 R N 0.711 120.817 120.500 -0.656 0.000 2.346 387 R HA 0.543 4.885 4.340 0.003 0.000 0.311 387 R C -1.271 174.514 176.300 -0.859 0.000 0.983 387 R CA -0.458 55.154 56.100 -0.813 0.000 0.880 387 R CB 1.694 31.234 30.300 -1.266 0.000 1.100 387 R HN 0.474 nan 8.270 nan 0.000 0.453 388 V N 2.298 121.980 119.914 -0.388 0.000 2.604 388 V HA 0.463 4.585 4.120 0.003 0.000 0.305 388 V C 0.143 176.264 176.094 0.045 0.000 1.043 388 V CA -1.051 61.148 62.300 -0.168 0.000 0.888 388 V CB 1.766 33.535 31.823 -0.090 0.000 0.995 388 V HN 0.938 nan 8.190 nan 0.000 0.429 389 A N 2.430 125.363 122.820 0.187 0.000 2.407 389 A HA 0.311 4.632 4.320 0.003 0.000 0.248 389 A C 1.123 178.805 177.584 0.163 0.000 1.082 389 A CA 0.073 52.278 52.037 0.279 0.000 0.785 389 A CB 0.222 19.500 19.000 0.463 0.000 1.020 389 A HN 1.025 nan 8.150 nan 0.000 0.489 390 E N 1.109 121.386 120.200 0.130 0.000 2.107 390 E HA 0.069 4.420 4.350 0.003 0.000 0.191 390 E C 0.988 177.637 176.600 0.082 0.000 0.982 390 E CA 0.828 57.280 56.400 0.086 0.000 0.809 390 E CB 0.016 29.757 29.700 0.068 0.000 0.756 390 E HN 0.835 nan 8.360 nan 0.000 0.459 391 A N 0.400 123.272 122.820 0.087 0.000 2.257 391 A HA 0.596 4.917 4.320 0.003 0.000 0.289 391 A C -0.564 177.074 177.584 0.090 0.000 1.095 391 A CA -0.438 51.641 52.037 0.070 0.000 0.836 391 A CB 0.634 19.658 19.000 0.041 0.000 1.111 391 A HN 0.257 nan 8.150 nan 0.000 0.497 392 L N -0.088 121.180 121.223 0.076 0.000 2.371 392 L HA 0.411 4.752 4.340 0.003 0.000 0.262 392 L C -1.317 175.602 176.870 0.081 0.000 1.006 392 L CA -0.991 53.906 54.840 0.096 0.000 0.818 392 L CB 1.905 44.014 42.059 0.083 0.000 1.354 392 L HN 0.476 nan 8.230 nan 0.000 0.415 393 L N 2.039 123.331 121.223 0.114 0.000 2.276 393 L HA 0.405 4.747 4.340 0.003 0.000 0.286 393 L C -0.165 176.787 176.870 0.136 0.000 1.061 393 L CA 0.336 55.248 54.840 0.119 0.000 0.807 393 L CB 1.025 43.190 42.059 0.178 0.000 1.177 393 L HN 0.515 nan 8.230 nan 0.000 0.429 394 E N 2.592 122.864 120.200 0.119 0.000 2.275 394 E HA 0.790 5.142 4.350 0.003 0.000 0.270 394 E C -1.669 175.018 176.600 0.145 0.000 0.882 394 E CA -0.722 55.752 56.400 0.123 0.000 0.758 394 E CB 1.773 31.541 29.700 0.114 0.000 1.195 394 E HN 0.657 nan 8.360 nan 0.000 0.419 395 A N 2.999 125.927 122.820 0.180 0.000 2.393 395 A HA 0.873 5.195 4.320 0.003 0.000 0.306 395 A C -0.056 177.669 177.584 0.235 0.000 1.050 395 A CA -0.064 52.075 52.037 0.170 0.000 0.724 395 A CB 1.483 20.564 19.000 0.135 0.000 1.248 395 A HN 1.047 nan 8.150 nan 0.000 0.424 396 G N 0.039 108.942 108.800 0.171 0.000 2.895 396 G HA2 0.286 4.248 3.960 0.003 0.000 0.686 396 G HA3 0.286 4.248 3.960 0.003 0.000 0.686 396 G C -0.286 174.673 174.900 0.098 0.000 1.108 396 G CA -0.027 45.163 45.100 0.151 0.000 0.761 396 G HN 1.779 nan 8.290 nan 0.000 0.611 397 S N 3.028 118.726 115.700 -0.003 0.000 2.542 397 S HA 0.665 5.137 4.470 0.003 0.000 0.245 397 S C -1.931 172.598 174.600 -0.118 0.000 1.325 397 S CA -0.872 57.281 58.200 -0.079 0.000 1.176 397 S CB 0.863 64.048 63.200 -0.025 0.000 1.045 397 S HN 0.635 nan 8.310 nan 0.000 0.481 398 P HA 0.222 nan 4.420 nan 0.000 0.271 398 P C -0.726 176.511 177.300 -0.105 0.000 1.216 398 P CA -0.384 62.620 63.100 -0.160 0.000 0.771 398 P CB 0.457 32.016 31.700 -0.235 0.000 0.864 399 K N 3.667 124.031 120.400 -0.060 0.000 2.218 399 K HA 0.397 4.719 4.320 0.003 0.000 0.276 399 K C -2.206 174.373 176.600 -0.036 0.000 1.022 399 K CA -1.784 54.479 56.287 -0.040 0.000 0.946 399 K CB -0.438 32.047 32.500 -0.024 0.000 1.000 399 K HN 0.301 nan 8.250 nan 0.000 0.468 400 P HA 0.184 nan 4.420 nan 0.000 0.272 400 P C -2.238 175.052 177.300 -0.017 0.000 1.240 400 P CA -0.920 62.167 63.100 -0.022 0.000 0.791 400 P CB -0.278 31.413 31.700 -0.015 0.000 0.978 401 P HA 0.113 nan 4.420 nan 0.000 0.272 401 P C -0.412 176.882 177.300 -0.010 0.000 1.223 401 P CA 0.038 63.128 63.100 -0.017 0.000 0.784 401 P CB 0.903 32.586 31.700 -0.028 0.000 0.923 402 E N -0.050 120.146 120.200 -0.006 0.000 2.342 402 E HA 0.453 4.804 4.350 0.003 0.000 0.257 402 E C 0.038 176.642 176.600 0.006 0.000 1.150 402 E CA -0.844 55.557 56.400 0.002 0.000 0.926 402 E CB 0.759 30.462 29.700 0.005 0.000 1.074 402 E HN 0.529 nan 8.360 nan 0.000 0.449 403 A N 1.572 124.401 122.820 0.015 0.000 2.371 403 A HA 0.407 4.729 4.320 0.003 0.000 0.257 403 A C -0.287 177.318 177.584 0.036 0.000 1.089 403 A CA -0.146 51.907 52.037 0.027 0.000 0.794 403 A CB 0.117 19.138 19.000 0.036 0.000 1.029 403 A HN 0.479 nan 8.150 nan 0.000 0.488 404 I N 3.057 123.658 120.570 0.051 0.000 2.436 404 I HA 0.329 4.501 4.170 0.003 0.000 0.289 404 I C -2.229 173.961 176.117 0.122 0.000 1.010 404 I CA -2.295 59.047 61.300 0.070 0.000 1.098 404 I CB 2.459 40.496 38.000 0.061 0.000 1.266 404 I HN 0.481 nan 8.210 nan 0.000 0.434 405 P HA 0.081 nan 4.420 nan 0.000 0.271 405 P C -1.114 176.339 177.300 0.254 0.000 1.216 405 P CA 0.170 63.355 63.100 0.142 0.000 0.771 405 P CB 0.691 32.429 31.700 0.064 0.000 0.864 406 F N 4.198 124.220 119.950 0.120 0.000 2.562 406 F HA 0.450 4.979 4.527 0.003 0.000 0.319 406 F C -0.689 175.248 175.800 0.229 0.000 1.154 406 F CA -1.066 57.029 58.000 0.158 0.000 0.931 406 F CB 1.846 40.927 39.000 0.135 0.000 1.198 406 F HN 0.102 nan 8.300 nan 0.000 0.444 407 R N 7.351 127.531 120.500 -0.534 0.000 2.239 407 R HA 0.379 4.720 4.340 0.003 0.000 0.332 407 R C -2.212 173.671 176.300 -0.694 0.000 0.988 407 R CA -1.747 54.102 56.100 -0.419 0.000 0.859 407 R CB 1.009 31.230 30.300 -0.132 0.000 1.148 407 R HN 0.353 nan 8.270 nan 0.000 0.482 408 P HA -0.268 nan 4.420 nan 0.000 0.218 408 P C 0.927 178.156 177.300 -0.118 0.000 1.146 408 P CA 1.064 63.980 63.100 -0.308 0.000 0.813 408 P CB 0.389 32.090 31.700 0.001 0.000 0.778 409 E N -1.220 118.935 120.200 -0.076 0.000 2.107 409 E HA -0.202 4.149 4.350 0.003 0.000 0.191 409 E C 1.821 178.426 176.600 0.007 0.000 0.982 409 E CA 1.076 57.466 56.400 -0.018 0.000 0.809 409 E CB -0.612 29.088 29.700 -0.000 0.000 0.756 409 E HN 0.243 nan 8.360 nan 0.000 0.459 410 Y N 0.876 121.097 120.300 -0.132 0.000 2.314 410 Y HA -0.011 4.540 4.550 0.003 0.000 0.293 410 Y C 2.065 177.932 175.900 -0.055 0.000 1.129 410 Y CA 1.365 59.410 58.100 -0.091 0.000 1.201 410 Y CB -0.536 37.864 38.460 -0.100 0.000 0.999 410 Y HN 0.071 nan 8.280 nan 0.000 0.541 411 A N 0.791 123.511 122.820 -0.167 0.000 1.858 411 A HA -0.225 4.097 4.320 0.003 0.000 0.216 411 A C 2.150 179.661 177.584 -0.121 0.000 1.190 411 A CA 1.918 53.883 52.037 -0.120 0.000 0.617 411 A CB -0.886 18.197 19.000 0.139 0.000 0.827 411 A HN 0.551 nan 8.150 nan 0.000 0.443 412 N N -0.688 117.970 118.700 -0.070 0.000 2.223 412 N HA -0.137 4.604 4.740 0.003 0.000 0.185 412 N C 1.854 177.278 175.510 -0.143 0.000 1.016 412 N CA 1.277 54.260 53.050 -0.111 0.000 0.863 412 N CB -0.377 38.057 38.487 -0.087 0.000 0.983 412 N HN 0.578 nan 8.380 nan 0.000 0.429 413 R N 0.333 120.751 120.500 -0.138 0.000 2.062 413 R HA -0.006 4.336 4.340 0.003 0.000 0.229 413 R C 2.124 178.321 176.300 -0.172 0.000 1.128 413 R CA 0.719 56.748 56.100 -0.117 0.000 0.960 413 R CB -0.328 29.947 30.300 -0.042 0.000 0.855 413 R HN 0.076 nan 8.270 nan 0.000 0.432 414 L N 0.758 121.786 121.223 -0.325 0.000 2.131 414 L HA -0.085 4.257 4.340 0.003 0.000 0.210 414 L C 1.685 178.433 176.870 -0.204 0.000 1.092 414 L CA 1.612 56.259 54.840 -0.321 0.000 0.759 414 L CB -0.036 41.678 42.059 -0.575 0.000 0.903 414 L HN 0.218 nan 8.230 nan 0.000 0.435 415 L N -1.124 119.986 121.223 -0.188 0.000 2.307 415 L HA 0.265 4.607 4.340 0.003 0.000 0.211 415 L C 1.519 178.298 176.870 -0.152 0.000 1.099 415 L CA 0.581 55.330 54.840 -0.152 0.000 0.816 415 L CB -0.498 41.495 42.059 -0.110 0.000 0.952 415 L HN 0.449 nan 8.230 nan 0.000 0.455 416 G N 1.092 109.800 108.800 -0.154 0.000 2.149 416 G HA2 -0.249 3.713 3.960 0.003 0.000 0.235 416 G HA3 -0.249 3.713 3.960 0.003 0.000 0.235 416 G C 0.286 175.076 174.900 -0.183 0.000 1.018 416 G CA 0.340 45.358 45.100 -0.137 0.000 0.728 416 G HN 0.396 nan 8.290 nan 0.000 0.508 417 T N -2.699 111.695 114.554 -0.267 0.000 2.870 417 T HA 0.800 5.151 4.350 0.003 0.000 0.277 417 T C 0.501 174.975 174.700 -0.377 0.000 1.000 417 T CA 0.273 62.109 62.100 -0.440 0.000 0.982 417 T CB 2.058 70.365 68.868 -0.935 0.000 1.249 417 T HN 1.493 nan 8.240 nan 0.000 0.589 418 S N -0.172 115.265 115.700 -0.439 0.000 2.512 418 S HA 0.330 4.801 4.470 0.003 0.000 0.161 418 S C -1.289 173.236 174.600 -0.125 0.000 1.383 418 S CA -0.885 57.188 58.200 -0.212 0.000 1.248 418 S CB -0.839 62.290 63.200 -0.117 0.000 1.488 418 S HN 0.587 nan 8.310 nan 0.000 0.382 419 Y N 2.899 123.203 120.300 0.006 0.000 2.319 419 Y HA 0.461 5.012 4.550 0.003 0.000 0.328 419 Y C -2.044 173.868 175.900 0.020 0.000 1.133 419 Y CA -2.282 55.827 58.100 0.015 0.000 1.265 419 Y CB 0.180 38.655 38.460 0.024 0.000 1.218 419 Y HN 0.301 nan 8.280 nan 0.000 0.508 420 P HA 0.015 nan 4.420 nan 0.000 0.271 420 P C 0.506 177.871 177.300 0.109 0.000 1.216 420 P CA -0.082 63.084 63.100 0.110 0.000 0.776 420 P CB 1.171 32.918 31.700 0.078 0.000 0.881 421 E N 2.603 122.861 120.200 0.096 0.000 2.113 421 E HA -0.326 4.026 4.350 0.003 0.000 0.210 421 E C 1.929 178.562 176.600 0.055 0.000 1.040 421 E CA 2.304 58.760 56.400 0.093 0.000 0.847 421 E CB -0.398 29.368 29.700 0.110 0.000 0.755 421 E HN 0.568 nan 8.360 nan 0.000 0.459 422 A N 0.867 123.713 122.820 0.043 0.000 1.892 422 A HA -0.290 4.031 4.320 0.003 0.000 0.218 422 A C 1.916 179.499 177.584 -0.003 0.000 1.188 422 A CA 2.041 54.087 52.037 0.015 0.000 0.631 422 A CB -0.643 18.370 19.000 0.021 0.000 0.822 422 A HN 0.359 nan 8.150 nan 0.000 0.447 423 E N -0.551 119.655 120.200 0.009 0.000 2.077 423 E HA -0.236 4.116 4.350 0.003 0.000 0.193 423 E C 2.327 178.903 176.600 -0.040 0.000 0.989 423 E CA 1.350 57.736 56.400 -0.022 0.000 0.800 423 E CB -0.223 29.465 29.700 -0.020 0.000 0.746 423 E HN 0.746 nan 8.360 nan 0.000 0.452 424 Q N 0.346 120.151 119.800 0.009 0.000 2.050 424 Q HA -0.163 4.178 4.340 0.003 0.000 0.202 424 Q C 2.314 178.290 176.000 -0.040 0.000 0.980 424 Q CA 1.202 57.023 55.803 0.031 0.000 0.840 424 Q CB -0.124 28.738 28.738 0.207 0.000 0.898 424 Q HN 0.357 nan 8.270 nan 0.000 0.424 425 I N 0.451 120.989 120.570 -0.055 0.000 2.315 425 I HA -0.226 3.946 4.170 0.003 0.000 0.248 425 I C 2.401 178.455 176.117 -0.105 0.000 1.117 425 I CA 0.726 61.950 61.300 -0.127 0.000 1.404 425 I CB -0.357 37.534 38.000 -0.181 0.000 1.071 425 I HN 0.148 nan 8.210 nan 0.000 0.419 426 A N 1.125 123.899 122.820 -0.078 0.000 1.902 426 A HA -0.176 4.146 4.320 0.003 0.000 0.217 426 A C 2.309 179.840 177.584 -0.087 0.000 1.181 426 A CA 1.466 53.461 52.037 -0.070 0.000 0.623 426 A CB -0.737 18.228 19.000 -0.059 0.000 0.818 426 A HN 0.357 nan 8.150 nan 0.000 0.443 427 I N -0.284 120.226 120.570 -0.101 0.000 2.142 427 I HA -0.259 3.913 4.170 0.003 0.000 0.240 427 I C 2.327 178.377 176.117 -0.113 0.000 1.078 427 I CA 1.217 62.450 61.300 -0.112 0.000 1.343 427 I CB -0.353 37.573 38.000 -0.123 0.000 1.046 427 I HN 0.297 nan 8.210 nan 0.000 0.405 428 L N 0.398 121.534 121.223 -0.145 0.000 2.127 428 L HA -0.239 4.103 4.340 0.003 0.000 0.211 428 L C 2.485 179.293 176.870 -0.103 0.000 1.089 428 L CA 1.468 56.210 54.840 -0.163 0.000 0.757 428 L CB -0.616 41.286 42.059 -0.261 0.000 0.899 428 L HN 0.243 nan 8.230 nan 0.000 0.434 429 K N -0.266 120.085 120.400 -0.081 0.000 2.103 429 K HA -0.071 4.251 4.320 0.003 0.000 0.204 429 K C 2.219 178.815 176.600 -0.006 0.000 1.052 429 K CA 0.744 57.008 56.287 -0.039 0.000 0.945 429 K CB -0.066 32.415 32.500 -0.032 0.000 0.722 429 K HN 0.254 nan 8.250 nan 0.000 0.443 430 R N 0.822 121.304 120.500 -0.031 0.000 2.127 430 R HA -0.075 4.266 4.340 0.003 0.000 0.238 430 R C 1.886 178.228 176.300 0.070 0.000 1.134 430 R CA 0.958 57.047 56.100 -0.020 0.000 0.975 430 R CB -0.302 29.892 30.300 -0.176 0.000 0.865 430 R HN 0.191 nan 8.270 nan 0.000 0.447 431 L N -0.195 121.043 121.223 0.025 0.000 2.627 431 L HA 0.123 4.465 4.340 0.003 0.000 0.233 431 L C 1.108 178.022 176.870 0.072 0.000 1.144 431 L CA 0.420 55.294 54.840 0.057 0.000 0.892 431 L CB 0.172 42.233 42.059 0.002 0.000 1.039 431 L HN 0.430 nan 8.230 nan 0.000 0.442 432 G N -1.238 107.601 108.800 0.064 0.000 2.157 432 G HA2 -0.250 3.712 3.960 0.003 0.000 0.248 432 G HA3 -0.250 3.712 3.960 0.003 0.000 0.248 432 G C 0.277 175.179 174.900 0.004 0.000 0.979 432 G CA -0.113 45.023 45.100 0.060 0.000 0.650 432 G HN 0.320 nan 8.290 nan 0.000 0.529 433 C N 0.342 119.624 119.300 -0.030 0.000 2.534 433 C HA 0.692 5.154 4.460 0.003 0.000 0.385 433 C C 1.102 176.073 174.990 -0.033 0.000 1.264 433 C CA -0.514 58.473 59.018 -0.052 0.000 2.342 433 C CB 0.882 28.566 27.740 -0.093 0.000 2.564 433 C HN 0.604 nan 8.230 nan 0.000 0.603 434 R N 1.040 121.527 120.500 -0.023 0.000 2.368 434 R HA 0.635 4.977 4.340 0.003 0.000 0.302 434 R C -1.511 174.790 176.300 0.001 0.000 1.002 434 R CA -0.210 55.888 56.100 -0.004 0.000 0.929 434 R CB 0.782 31.086 30.300 0.007 0.000 1.073 434 R HN 0.640 nan 8.270 nan 0.000 0.464 435 V N 4.215 124.135 119.914 0.011 0.000 2.407 435 V HA 0.341 4.462 4.120 0.003 0.000 0.291 435 V C -0.582 175.568 176.094 0.093 0.000 1.018 435 V CA -0.713 61.608 62.300 0.035 0.000 0.842 435 V CB 1.513 33.317 31.823 -0.032 0.000 0.996 435 V HN 0.837 nan 8.190 nan 0.000 0.426 436 E N 2.628 122.915 120.200 0.145 0.000 2.227 436 E HA 0.807 5.159 4.350 0.003 0.000 0.268 436 E C 0.187 176.919 176.600 0.220 0.000 0.907 436 E CA -0.352 56.139 56.400 0.150 0.000 0.786 436 E CB 2.415 32.171 29.700 0.093 0.000 1.191 436 E HN 1.072 nan 8.360 nan 0.000 0.411 437 G N 1.264 110.161 108.800 0.161 0.000 2.555 437 G HA2 -0.175 3.787 3.960 0.003 0.000 0.686 437 G HA3 -0.175 3.787 3.960 0.003 0.000 0.686 437 G C -0.063 174.887 174.900 0.083 0.000 1.275 437 G CA -0.323 44.822 45.100 0.076 0.000 0.871 437 G HN 0.675 nan 8.290 nan 0.000 0.603 438 E N -0.083 120.069 120.200 -0.080 0.000 2.498 438 E HA 0.459 4.810 4.350 0.003 0.000 0.203 438 E C 1.164 177.593 176.600 -0.285 0.000 1.013 438 E CA 0.268 56.641 56.400 -0.045 0.000 0.927 438 E CB 1.006 30.700 29.700 -0.011 0.000 1.012 438 E HN 2.379 nan 8.360 nan 0.000 0.482 439 G N 2.813 111.165 108.800 -0.746 0.000 2.603 439 G HA2 -0.181 3.781 3.960 0.003 0.000 0.686 439 G HA3 -0.181 3.781 3.960 0.003 0.000 0.686 439 G C -1.887 172.789 174.900 -0.374 0.000 1.286 439 G CA -0.339 44.236 45.100 -0.874 0.000 0.871 439 G HN 0.071 nan 8.290 nan 0.000 0.568 440 P HA 0.124 nan 4.420 nan 0.000 0.231 440 P C 0.797 177.951 177.300 -0.244 0.000 1.168 440 P CA 1.715 64.682 63.100 -0.221 0.000 0.779 440 P CB 0.330 31.972 31.700 -0.097 0.000 0.844 441 T N -0.228 114.171 114.554 -0.259 0.000 2.947 441 T HA 0.327 4.679 4.350 0.003 0.000 0.337 441 T C -0.443 174.185 174.700 -0.120 0.000 1.139 441 T CA -0.770 61.254 62.100 -0.128 0.000 0.992 441 T CB -0.439 68.384 68.868 -0.074 0.000 1.043 441 T HN -0.193 nan 8.240 nan 0.000 0.498 442 Y N 2.518 122.857 120.300 0.065 0.000 2.296 442 Y HA 0.539 5.090 4.550 0.003 0.000 0.343 442 Y C 1.279 177.249 175.900 0.117 0.000 1.292 442 Y CA -0.852 57.314 58.100 0.111 0.000 1.490 442 Y CB 0.569 39.140 38.460 0.185 0.000 1.359 442 Y HN 0.241 nan 8.280 nan 0.000 0.599 443 R N 1.255 121.921 120.500 0.276 0.000 2.247 443 R HA 0.385 4.727 4.340 0.003 0.000 0.329 443 R C -1.670 174.721 176.300 0.152 0.000 1.014 443 R CA -0.684 55.517 56.100 0.167 0.000 0.907 443 R CB 0.538 30.901 30.300 0.105 0.000 1.146 443 R HN 0.405 nan 8.270 nan 0.000 0.499 444 V N 2.566 122.560 119.914 0.134 0.000 2.347 444 V HA 0.318 4.440 4.120 0.003 0.000 0.280 444 V C 0.514 176.620 176.094 0.020 0.000 1.021 444 V CA -0.631 61.702 62.300 0.054 0.000 0.847 444 V CB 1.684 33.503 31.823 -0.007 0.000 0.990 444 V HN 0.628 nan 8.190 nan 0.000 0.444 445 T N 7.109 121.665 114.554 0.004 0.000 2.772 445 T HA 0.501 4.853 4.350 0.003 0.000 0.288 445 T C -2.377 172.302 174.700 -0.034 0.000 0.994 445 T CA -2.036 60.059 62.100 -0.008 0.000 0.951 445 T CB 1.703 70.573 68.868 0.003 0.000 0.933 445 T HN 0.512 nan 8.240 nan 0.000 0.447 446 P HA 0.345 nan 4.420 nan 0.000 0.274 446 P C -2.825 174.414 177.300 -0.102 0.000 1.237 446 P CA -1.648 61.398 63.100 -0.091 0.000 0.793 446 P CB -0.349 31.291 31.700 -0.101 0.000 0.977 447 P HA 0.028 nan 4.420 nan 0.000 0.271 447 P C 1.268 178.449 177.300 -0.198 0.000 1.216 447 P CA 0.097 63.103 63.100 -0.158 0.000 0.771 447 P CB 0.128 31.685 31.700 -0.238 0.000 0.864 448 S N 2.243 117.903 115.700 -0.066 0.000 2.441 448 S HA -0.271 4.200 4.470 0.003 0.000 0.242 448 S C 1.550 176.134 174.600 -0.025 0.000 1.018 448 S CA 1.321 59.499 58.200 -0.036 0.000 0.988 448 S CB -1.290 61.915 63.200 0.008 0.000 0.778 448 S HN 0.676 nan 8.310 nan 0.000 0.498 449 H N 0.121 119.182 119.070 -0.015 0.000 2.547 449 H HA 0.232 4.790 4.556 0.003 0.000 0.272 449 H C 0.063 175.380 175.328 -0.017 0.000 0.989 449 H CA -0.007 56.028 56.048 -0.021 0.000 1.214 449 H CB -0.190 29.551 29.762 -0.035 0.000 1.389 449 H HN 0.178 nan 8.280 nan 0.000 0.577 450 R N 1.938 122.220 120.500 -0.364 0.000 2.280 450 R HA 0.221 4.562 4.340 0.003 0.000 0.326 450 R C 1.101 177.342 176.300 -0.098 0.000 1.080 450 R CA -0.287 55.689 56.100 -0.208 0.000 1.002 450 R CB 0.894 31.026 30.300 -0.279 0.000 1.136 450 R HN 0.351 nan 8.270 nan 0.000 0.509 451 L N 1.013 122.215 121.223 -0.035 0.000 2.395 451 L HA -0.062 4.279 4.340 0.003 0.000 0.218 451 L C 1.305 178.167 176.870 -0.014 0.000 1.130 451 L CA 0.796 55.626 54.840 -0.017 0.000 0.826 451 L CB -0.201 41.860 42.059 0.005 0.000 0.941 451 L HN 0.432 nan 8.230 nan 0.000 0.451 452 D N 0.477 120.869 120.400 -0.015 0.000 2.328 452 D HA -0.006 4.636 4.640 0.003 0.000 0.226 452 D C 0.571 176.863 176.300 -0.013 0.000 1.066 452 D CA 0.192 54.187 54.000 -0.007 0.000 0.861 452 D CB 0.124 40.923 40.800 -0.001 0.000 0.912 452 D HN 0.278 nan 8.370 nan 0.000 0.521 453 L N 1.098 122.304 121.223 -0.029 0.000 2.337 453 L HA 0.418 4.759 4.340 0.003 0.000 0.269 453 L C 0.903 177.762 176.870 -0.019 0.000 1.018 453 L CA -0.485 54.337 54.840 -0.030 0.000 0.876 453 L CB 1.444 43.467 42.059 -0.061 0.000 1.236 453 L HN -0.201 nan 8.230 nan 0.000 0.436 454 R N 1.909 122.410 120.500 0.002 0.000 2.470 454 R HA 0.418 4.760 4.340 0.003 0.000 0.210 454 R C 0.091 176.408 176.300 0.027 0.000 0.873 454 R CA 0.244 56.350 56.100 0.010 0.000 1.015 454 R CB 0.970 31.277 30.300 0.011 0.000 1.348 454 R HN 0.390 nan 8.270 nan 0.000 0.650 455 L N 0.694 121.941 121.223 0.041 0.000 2.322 455 L HA 0.343 4.684 4.340 0.003 0.000 0.269 455 L C 1.756 178.690 176.870 0.106 0.000 1.012 455 L CA -0.496 54.384 54.840 0.065 0.000 0.815 455 L CB 1.909 44.007 42.059 0.066 0.000 1.295 455 L HN 0.028 nan 8.230 nan 0.000 0.438 456 E N 0.734 121.022 120.200 0.147 0.000 2.097 456 E HA -0.261 4.091 4.350 0.003 0.000 0.196 456 E C 1.284 178.064 176.600 0.300 0.000 1.000 456 E CA 1.872 58.428 56.400 0.259 0.000 0.804 456 E CB 0.329 30.178 29.700 0.249 0.000 0.740 456 E HN 0.684 nan 8.360 nan 0.000 0.454 457 E N 1.020 121.372 120.200 0.253 0.000 2.085 457 E HA -0.197 4.154 4.350 0.003 0.000 0.194 457 E C 1.773 178.455 176.600 0.136 0.000 0.994 457 E CA 1.506 58.034 56.400 0.214 0.000 0.801 457 E CB -0.191 29.608 29.700 0.165 0.000 0.743 457 E HN 0.368 nan 8.360 nan 0.000 0.453 458 D N -0.160 120.300 120.400 0.100 0.000 2.123 458 D HA -0.157 4.484 4.640 0.003 0.000 0.196 458 D C 1.824 178.148 176.300 0.040 0.000 0.992 458 D CA 0.780 54.813 54.000 0.055 0.000 0.833 458 D CB -0.154 40.665 40.800 0.031 0.000 0.954 458 D HN 0.090 nan 8.370 nan 0.000 0.455 459 L N 0.805 122.054 121.223 0.044 0.000 2.046 459 L HA -0.126 4.216 4.340 0.003 0.000 0.208 459 L C 2.587 179.460 176.870 0.005 0.000 1.077 459 L CA 1.081 55.889 54.840 -0.052 0.000 0.747 459 L CB -1.047 40.939 42.059 -0.122 0.000 0.896 459 L HN 0.004 nan 8.230 nan 0.000 0.432 460 V N -1.184 118.834 119.914 0.173 0.000 2.515 460 V HA -0.241 3.881 4.120 0.003 0.000 0.250 460 V C 2.323 178.479 176.094 0.103 0.000 1.058 460 V CA 1.942 64.359 62.300 0.194 0.000 1.064 460 V CB -0.428 31.488 31.823 0.155 0.000 0.675 460 V HN 0.663 nan 8.190 nan 0.000 0.461 461 E N -0.442 119.807 120.200 0.081 0.000 2.110 461 E HA -0.257 4.095 4.350 0.003 0.000 0.193 461 E C 2.121 178.774 176.600 0.088 0.000 0.988 461 E CA 1.541 57.998 56.400 0.095 0.000 0.804 461 E CB -0.127 29.624 29.700 0.085 0.000 0.745 461 E HN 0.709 nan 8.360 nan 0.000 0.458 462 E N 0.360 120.577 120.200 0.029 0.000 2.058 462 E HA -0.166 4.186 4.350 0.003 0.000 0.194 462 E C 2.315 178.907 176.600 -0.014 0.000 0.997 462 E CA 1.173 57.567 56.400 -0.010 0.000 0.801 462 E CB -0.415 29.243 29.700 -0.069 0.000 0.746 462 E HN 0.226 nan 8.360 nan 0.000 0.450 463 V N 1.683 121.588 119.914 -0.015 0.000 2.343 463 V HA -0.264 3.858 4.120 0.003 0.000 0.247 463 V C 2.447 178.518 176.094 -0.039 0.000 1.051 463 V CA 1.881 64.157 62.300 -0.041 0.000 1.036 463 V CB -0.911 30.941 31.823 0.047 0.000 0.654 463 V HN 0.263 nan 8.190 nan 0.000 0.451 464 A N 1.352 124.226 122.820 0.092 0.000 1.877 464 A HA -0.229 4.093 4.320 0.003 0.000 0.216 464 A C 2.372 180.118 177.584 0.270 0.000 1.186 464 A CA 1.984 54.133 52.037 0.187 0.000 0.620 464 A CB -0.513 18.585 19.000 0.164 0.000 0.822 464 A HN 0.691 nan 8.150 nan 0.000 0.443 465 R N -0.751 119.898 120.500 0.248 0.000 2.115 465 R HA 0.012 4.353 4.340 0.003 0.000 0.226 465 R C 1.548 177.851 176.300 0.004 0.000 1.100 465 R CA 1.430 57.574 56.100 0.074 0.000 0.980 465 R CB -0.460 29.800 30.300 -0.067 0.000 0.875 465 R HN 0.380 nan 8.270 nan 0.000 0.445 466 I N 1.431 121.995 120.570 -0.012 0.000 2.406 466 I HA -0.115 4.056 4.170 0.003 0.000 0.249 466 I C 2.327 178.402 176.117 -0.070 0.000 1.122 466 I CA 1.104 62.379 61.300 -0.042 0.000 1.431 466 I CB -0.992 36.969 38.000 -0.064 0.000 1.087 466 I HN 0.230 nan 8.210 nan 0.000 0.424 467 Q N 0.948 120.673 119.800 -0.125 0.000 2.167 467 Q HA 0.048 4.389 4.340 0.003 0.000 0.202 467 Q C 0.829 176.811 176.000 -0.030 0.000 0.970 467 Q CA 0.962 56.647 55.803 -0.197 0.000 0.855 467 Q CB -0.124 28.285 28.738 -0.548 0.000 0.911 467 Q HN 0.599 nan 8.270 nan 0.000 0.438 468 G N -0.239 108.595 108.800 0.057 0.000 3.355 468 G HA2 -0.183 3.778 3.960 0.003 0.000 0.686 468 G HA3 -0.183 3.778 3.960 0.003 0.000 0.686 468 G C -0.259 174.794 174.900 0.254 0.000 1.097 468 G CA -0.426 44.743 45.100 0.115 0.000 0.881 468 G HN 0.051 nan 8.290 nan 0.000 0.550 469 Y N 1.246 121.567 120.300 0.035 0.000 2.241 469 Y HA -0.149 4.402 4.550 0.003 0.000 0.286 469 Y C 2.701 178.629 175.900 0.047 0.000 1.166 469 Y CA 2.177 60.302 58.100 0.043 0.000 1.203 469 Y CB -0.207 38.266 38.460 0.021 0.000 0.977 469 Y HN 0.847 nan 8.280 nan 0.000 0.529 470 E N -1.251 119.069 120.200 0.199 0.000 2.409 470 E HA -0.104 4.248 4.350 0.003 0.000 0.198 470 E C 1.782 178.443 176.600 0.102 0.000 1.024 470 E CA 1.261 57.733 56.400 0.120 0.000 0.861 470 E CB -1.043 28.709 29.700 0.087 0.000 0.788 470 E HN 0.467 nan 8.360 nan 0.000 0.521 471 T N -1.576 113.061 114.554 0.139 0.000 3.100 471 T HA 0.156 4.508 4.350 0.003 0.000 0.253 471 T C 0.735 175.503 174.700 0.112 0.000 1.118 471 T CA -0.269 61.920 62.100 0.147 0.000 1.058 471 T CB -0.338 68.672 68.868 0.238 0.000 0.953 471 T HN 0.065 nan 8.240 nan 0.000 0.515 472 I N 4.402 125.021 120.570 0.082 0.000 2.396 472 I HA 0.262 4.434 4.170 0.003 0.000 0.289 472 I C -1.700 174.401 176.117 -0.026 0.000 1.056 472 I CA -2.362 58.933 61.300 -0.009 0.000 1.365 472 I CB 0.844 38.813 38.000 -0.052 0.000 1.407 472 I HN 0.143 nan 8.210 nan 0.000 0.509 473 P HA 0.186 nan 4.420 nan 0.000 0.274 473 P C -0.959 176.316 177.300 -0.042 0.000 1.256 473 P CA -0.503 62.571 63.100 -0.043 0.000 0.795 473 P CB 0.914 32.580 31.700 -0.057 0.000 1.038 474 L N 0.535 121.739 121.223 -0.031 0.000 2.307 474 L HA 0.678 5.020 4.340 0.003 0.000 0.282 474 L C 0.563 177.414 176.870 -0.033 0.000 1.051 474 L CA -0.067 54.756 54.840 -0.029 0.000 0.804 474 L CB 0.544 42.591 42.059 -0.020 0.000 1.197 474 L HN 0.620 nan 8.230 nan 0.000 0.431 475 A N 3.533 126.332 122.820 -0.034 0.000 2.609 475 A HA 0.889 5.211 4.320 0.003 0.000 0.291 475 A C -1.720 175.844 177.584 -0.032 0.000 1.096 475 A CA -0.525 51.492 52.037 -0.034 0.000 0.684 475 A CB 1.312 20.290 19.000 -0.036 0.000 1.282 475 A HN 0.508 nan 8.150 nan 0.000 0.412 476 L N 2.157 123.359 121.223 -0.035 0.000 2.385 476 L HA 0.576 4.917 4.340 0.003 0.000 0.273 476 L C -1.928 174.916 176.870 -0.042 0.000 0.990 476 L CA -1.509 53.306 54.840 -0.043 0.000 0.821 476 L CB 2.071 44.096 42.059 -0.056 0.000 1.279 476 L HN 0.732 nan 8.230 nan 0.000 0.412 477 P HA 0.567 nan 4.420 nan 0.000 0.277 477 P C -1.371 175.863 177.300 -0.110 0.000 1.240 477 P CA -0.484 62.617 63.100 0.001 0.000 0.798 477 P CB 1.917 33.685 31.700 0.113 0.000 0.979 478 A N 2.375 125.152 122.820 -0.071 0.000 2.375 478 A HA 0.733 5.055 4.320 0.003 0.000 0.295 478 A C -0.985 176.535 177.584 -0.106 0.000 1.066 478 A CA -0.574 51.335 52.037 -0.214 0.000 0.722 478 A CB 0.576 19.480 19.000 -0.161 0.000 1.206 478 A HN 0.566 nan 8.150 nan 0.000 0.435 479 F N -0.571 119.255 119.950 -0.208 0.000 2.719 479 F HA 0.746 5.275 4.527 0.003 0.000 0.309 479 F C -1.827 173.817 175.800 -0.259 0.000 1.138 479 F CA -2.055 55.835 58.000 -0.183 0.000 0.943 479 F CB 0.583 39.555 39.000 -0.046 0.000 1.304 479 F HN 0.287 nan 8.300 nan 0.000 0.445 480 F N 3.607 123.729 119.950 0.286 0.000 2.421 480 F HA 0.518 5.046 4.527 0.003 0.000 0.358 480 F C -1.784 174.206 175.800 0.317 0.000 1.115 480 F CA -1.805 56.305 58.000 0.183 0.000 1.160 480 F CB 0.461 39.524 39.000 0.104 0.000 1.123 480 F HN 0.253 nan 8.300 nan 0.000 0.508 481 P HA 0.147 nan 4.420 nan 0.000 0.269 481 P C -0.646 176.786 177.300 0.219 0.000 1.209 481 P CA -0.392 62.932 63.100 0.374 0.000 0.776 481 P CB 0.769 32.638 31.700 0.282 0.000 0.876 482 A N 4.698 127.598 122.820 0.133 0.000 2.531 482 A HA 0.164 4.485 4.320 0.003 0.000 0.236 482 A C -1.017 176.611 177.584 0.073 0.000 1.062 482 A CA -0.757 51.326 52.037 0.077 0.000 0.760 482 A CB -1.137 17.881 19.000 0.030 0.000 0.995 482 A HN 0.411 nan 8.150 nan 0.000 0.501 483 P HA -0.255 nan 4.420 nan 0.000 0.219 483 P C 0.654 177.978 177.300 0.040 0.000 1.158 483 P CA 2.077 65.204 63.100 0.045 0.000 0.895 483 P CB -0.075 31.642 31.700 0.029 0.000 0.792 484 D N -2.530 117.890 120.400 0.033 0.000 2.358 484 D HA -0.081 4.561 4.640 0.003 0.000 0.241 484 D C 1.011 177.332 176.300 0.034 0.000 1.094 484 D CA 0.474 54.492 54.000 0.029 0.000 0.907 484 D CB -1.139 39.674 40.800 0.022 0.000 0.893 484 D HN 0.153 nan 8.370 nan 0.000 0.528 485 N N 0.086 118.813 118.700 0.045 0.000 2.254 485 N HA 0.027 4.768 4.740 0.003 0.000 0.190 485 N C 0.082 175.622 175.510 0.049 0.000 1.107 485 N CA -0.110 52.969 53.050 0.050 0.000 0.869 485 N CB 0.396 38.924 38.487 0.068 0.000 0.983 485 N HN 0.122 nan 8.380 nan 0.000 0.487 486 R N 0.496 121.026 120.500 0.048 0.000 2.543 486 R HA 0.179 4.520 4.340 0.003 0.000 0.277 486 R C 1.123 177.445 176.300 0.037 0.000 1.074 486 R CA 0.315 56.441 56.100 0.044 0.000 1.076 486 R CB -0.066 30.260 30.300 0.044 0.000 0.993 486 R HN 0.217 nan 8.270 nan 0.000 0.459 487 G N 1.091 109.912 108.800 0.035 0.000 2.180 487 G HA2 -0.308 3.653 3.960 0.003 0.000 0.263 487 G HA3 -0.308 3.653 3.960 0.003 0.000 0.263 487 G C 0.747 175.669 174.900 0.036 0.000 0.989 487 G CA 0.502 45.622 45.100 0.034 0.000 0.692 487 G HN 0.489 nan 8.290 nan 0.000 0.526 488 V N 0.730 120.666 119.914 0.035 0.000 3.078 488 V HA 0.078 4.200 4.120 0.003 0.000 0.265 488 V C 2.132 178.251 176.094 0.042 0.000 1.122 488 V CA 2.569 64.890 62.300 0.035 0.000 1.141 488 V CB 0.074 31.916 31.823 0.030 0.000 0.735 488 V HN 0.808 nan 8.190 nan 0.000 0.498 489 E N -0.809 119.418 120.200 0.046 0.000 2.499 489 E HA 0.280 4.631 4.350 0.003 0.000 0.199 489 E C 1.596 178.258 176.600 0.103 0.000 1.016 489 E CA 0.618 57.059 56.400 0.069 0.000 0.933 489 E CB 0.412 30.134 29.700 0.037 0.000 1.050 489 E HN 0.468 nan 8.360 nan 0.000 0.462 490 A N 2.230 125.095 122.820 0.075 0.000 1.855 490 A HA 0.006 4.328 4.320 0.003 0.000 0.215 490 A C -0.228 177.397 177.584 0.069 0.000 1.191 490 A CA 0.921 52.996 52.037 0.064 0.000 0.613 490 A CB -1.261 17.765 19.000 0.044 0.000 0.829 490 A HN 0.305 nan 8.150 nan 0.000 0.442 491 P HA -0.233 nan 4.420 nan 0.000 0.214 491 P C 1.527 178.865 177.300 0.063 0.000 1.169 491 P CA 1.577 64.712 63.100 0.057 0.000 0.908 491 P CB -0.254 31.485 31.700 0.065 0.000 0.791 492 Y N 0.676 120.977 120.300 0.003 0.000 2.081 492 Y HA -0.266 4.286 4.550 0.003 0.000 0.280 492 Y C 2.445 178.346 175.900 0.002 0.000 1.163 492 Y CA 1.791 59.893 58.100 0.003 0.000 1.135 492 Y CB -0.560 37.904 38.460 0.007 0.000 0.970 492 Y HN -0.242 nan 8.280 nan 0.000 0.498 493 R N 0.202 120.797 120.500 0.159 0.000 2.105 493 R HA -0.201 4.140 4.340 0.003 0.000 0.239 493 R C 2.428 178.705 176.300 -0.039 0.000 1.135 493 R CA 1.784 57.926 56.100 0.070 0.000 0.967 493 R CB -0.290 30.067 30.300 0.094 0.000 0.861 493 R HN 0.328 nan 8.270 nan 0.000 0.442 494 K N 0.990 121.369 120.400 -0.035 0.000 1.985 494 K HA -0.229 4.093 4.320 0.003 0.000 0.210 494 K C 2.041 178.580 176.600 -0.101 0.000 1.047 494 K CA 1.751 58.007 56.287 -0.053 0.000 0.932 494 K CB -0.060 32.421 32.500 -0.031 0.000 0.716 494 K HN 0.132 nan 8.250 nan 0.000 0.439 495 E N 0.093 120.210 120.200 -0.138 0.000 2.118 495 E HA -0.279 4.073 4.350 0.003 0.000 0.195 495 E C 2.094 178.582 176.600 -0.186 0.000 0.992 495 E CA 1.360 57.661 56.400 -0.163 0.000 0.804 495 E CB 0.065 29.649 29.700 -0.192 0.000 0.741 495 E HN 0.215 nan 8.360 nan 0.000 0.458 496 Q N 0.490 120.138 119.800 -0.254 0.000 2.119 496 Q HA -0.109 4.233 4.340 0.003 0.000 0.201 496 Q C 2.042 177.977 176.000 -0.109 0.000 0.972 496 Q CA 1.287 56.970 55.803 -0.201 0.000 0.847 496 Q CB -0.032 28.564 28.738 -0.236 0.000 0.903 496 Q HN 0.055 nan 8.270 nan 0.000 0.433 497 R N -0.174 120.267 120.500 -0.098 0.000 2.096 497 R HA -0.094 4.248 4.340 0.003 0.000 0.235 497 R C 2.093 178.323 176.300 -0.117 0.000 1.127 497 R CA 0.844 56.895 56.100 -0.082 0.000 0.968 497 R CB -1.050 29.209 30.300 -0.068 0.000 0.861 497 R HN 0.342 nan 8.270 nan 0.000 0.440 498 L N 1.562 122.701 121.223 -0.139 0.000 1.971 498 L HA -0.209 4.133 4.340 0.003 0.000 0.215 498 L C 2.286 179.019 176.870 -0.229 0.000 1.072 498 L CA 1.871 56.594 54.840 -0.195 0.000 0.758 498 L CB -0.547 41.404 42.059 -0.180 0.000 0.889 498 L HN 0.043 nan 8.230 nan 0.000 0.433 499 R N -0.308 120.110 120.500 -0.137 0.000 2.096 499 R HA -0.203 4.139 4.340 0.003 0.000 0.240 499 R C 2.063 178.298 176.300 -0.109 0.000 1.139 499 R CA 1.969 58.031 56.100 -0.064 0.000 0.952 499 R CB -0.675 29.698 30.300 0.122 0.000 0.854 499 R HN 0.595 nan 8.270 nan 0.000 0.436 500 E N 0.419 120.578 120.200 -0.068 0.000 2.085 500 E HA -0.164 4.187 4.350 0.003 0.000 0.194 500 E C 2.179 178.721 176.600 -0.097 0.000 0.994 500 E CA 1.419 57.789 56.400 -0.050 0.000 0.801 500 E CB -0.196 29.485 29.700 -0.032 0.000 0.743 500 E HN 0.110 nan 8.360 nan 0.000 0.453 501 V N 1.861 121.688 119.914 -0.146 0.000 2.287 501 V HA -0.275 3.847 4.120 0.003 0.000 0.248 501 V C 2.421 178.388 176.094 -0.212 0.000 1.053 501 V CA 1.610 63.813 62.300 -0.162 0.000 1.027 501 V CB -0.507 31.198 31.823 -0.197 0.000 0.646 501 V HN 0.238 nan 8.190 nan 0.000 0.447 502 L N 0.748 121.738 121.223 -0.389 0.000 2.013 502 L HA -0.223 4.119 4.340 0.003 0.000 0.212 502 L C 2.743 179.450 176.870 -0.272 0.000 1.073 502 L CA 2.165 56.651 54.840 -0.590 0.000 0.753 502 L CB -0.844 40.411 42.059 -1.340 0.000 0.890 502 L HN 0.578 nan 8.230 nan 0.000 0.432 503 S N -0.421 115.169 115.700 -0.183 0.000 2.419 503 S HA -0.112 4.359 4.470 0.003 0.000 0.233 503 S C 1.987 176.612 174.600 0.042 0.000 1.016 503 S CA 0.970 59.200 58.200 0.051 0.000 0.974 503 S CB -0.820 62.448 63.200 0.114 0.000 0.786 503 S HN 0.458 nan 8.310 nan 0.000 0.492 504 G N 1.411 110.209 108.800 -0.003 0.000 2.396 504 G HA2 0.096 4.057 3.960 0.003 0.000 0.214 504 G HA3 0.096 4.057 3.960 0.003 0.000 0.214 504 G C 1.399 176.326 174.900 0.045 0.000 1.166 504 G CA 0.471 45.579 45.100 0.013 0.000 0.793 504 G HN 0.460 nan 8.290 nan 0.000 0.533 505 L N -0.180 121.082 121.223 0.064 0.000 2.079 505 L HA 0.072 4.414 4.340 0.003 0.000 0.210 505 L C 2.186 179.154 176.870 0.163 0.000 1.081 505 L CA 1.652 56.586 54.840 0.158 0.000 0.752 505 L CB 0.019 42.226 42.059 0.246 0.000 0.896 505 L HN 0.470 nan 8.230 nan 0.000 0.433 506 G N -2.742 106.115 108.800 0.095 0.000 2.902 506 G HA2 -0.139 3.823 3.960 0.003 0.000 0.215 506 G HA3 -0.139 3.823 3.960 0.003 0.000 0.215 506 G C -0.042 174.765 174.900 -0.155 0.000 0.976 506 G CA -0.663 44.395 45.100 -0.070 0.000 0.794 506 G HN 0.041 nan 8.290 nan 0.000 0.557 507 F N 1.483 121.358 119.950 -0.125 0.000 2.429 507 F HA 0.635 5.164 4.527 0.004 0.000 0.348 507 F C 0.739 176.668 175.800 0.215 0.000 1.109 507 F CA -0.344 57.666 58.000 0.017 0.000 1.232 507 F CB 1.344 40.338 39.000 -0.009 0.000 1.157 507 F HN 0.046 nan 8.300 nan 0.000 0.564 508 Q N 2.908 122.942 119.800 0.390 0.000 2.340 508 Q HA 0.190 4.532 4.340 0.003 0.000 0.259 508 Q C -0.572 175.529 176.000 0.167 0.000 0.964 508 Q CA -0.499 55.457 55.803 0.254 0.000 0.900 508 Q CB 1.021 29.822 28.738 0.104 0.000 1.228 508 Q HN 0.646 nan 8.270 nan 0.000 0.449 509 E N 2.254 122.465 120.200 0.019 0.000 2.392 509 E HA 0.382 4.733 4.350 0.003 0.000 0.264 509 E C -1.165 175.264 176.600 -0.285 0.000 1.024 509 E CA -0.332 55.723 56.400 -0.576 0.000 0.903 509 E CB 0.710 30.153 29.700 -0.428 0.000 0.963 509 E HN 0.474 nan 8.360 nan 0.000 0.432 510 V N 4.328 124.056 119.914 -0.311 0.000 2.760 510 V HA 0.259 4.380 4.120 0.003 0.000 0.309 510 V C -1.408 174.701 176.094 0.025 0.000 1.077 510 V CA -0.817 61.416 62.300 -0.112 0.000 0.910 510 V CB 1.519 33.272 31.823 -0.117 0.000 1.008 510 V HN 0.601 nan 8.190 nan 0.000 0.424 511 Y N 1.685 121.853 120.300 -0.220 0.000 2.335 511 Y HA 0.724 5.276 4.550 0.002 0.000 0.338 511 Y C 0.540 176.297 175.900 -0.239 0.000 0.977 511 Y CA -0.694 57.278 58.100 -0.213 0.000 1.114 511 Y CB 2.290 40.637 38.460 -0.189 0.000 1.182 511 Y HN 0.607 nan 8.280 nan 0.000 0.463 512 T N 3.413 117.890 114.554 -0.130 0.000 2.893 512 T HA 0.353 4.704 4.350 0.003 0.000 0.293 512 T C -1.021 173.585 174.700 -0.158 0.000 1.027 512 T CA -0.828 61.163 62.100 -0.181 0.000 0.988 512 T CB 0.627 69.422 68.868 -0.122 0.000 1.043 512 T HN 0.171 nan 8.240 nan 0.000 0.461 513 Y N 1.203 121.487 120.300 -0.028 0.000 2.788 513 Y HA -0.028 4.524 4.550 0.003 0.000 0.341 513 Y C 2.096 177.915 175.900 -0.136 0.000 1.258 513 Y CA 0.191 58.248 58.100 -0.072 0.000 1.503 513 Y CB 0.140 38.625 38.460 0.041 0.000 1.325 513 Y HN 0.655 nan 8.280 nan 0.000 0.614 514 S N 1.145 116.784 115.700 -0.101 0.000 2.522 514 S HA 0.016 4.488 4.470 0.003 0.000 0.227 514 S C 0.095 174.627 174.600 -0.114 0.000 0.986 514 S CA 0.066 58.194 58.200 -0.120 0.000 0.929 514 S CB -0.373 62.734 63.200 -0.155 0.000 0.769 514 S HN 0.339 nan 8.310 nan 0.000 0.529 515 F N 1.507 121.500 119.950 0.071 0.000 2.444 515 F HA 0.460 4.988 4.527 0.002 0.000 0.331 515 F C 0.311 176.115 175.800 0.008 0.000 1.167 515 F CA -0.719 57.283 58.000 0.004 0.000 1.262 515 F CB 0.281 39.256 39.000 -0.042 0.000 1.196 515 F HN 0.035 nan 8.300 nan 0.000 0.583 516 M N 1.642 121.372 119.600 0.216 0.000 2.501 516 M HA 0.299 4.781 4.480 0.003 0.000 0.293 516 M C -1.733 174.605 176.300 0.064 0.000 1.192 516 M CA -0.815 54.542 55.300 0.095 0.000 0.886 516 M CB 2.080 34.716 32.600 0.059 0.000 1.710 516 M HN 0.535 nan 8.290 nan 0.000 0.457 517 D N 4.333 124.759 120.400 0.044 0.000 2.347 517 D HA 0.292 4.934 4.640 0.003 0.000 0.235 517 D C -2.064 174.261 176.300 0.042 0.000 1.149 517 D CA -1.663 52.360 54.000 0.037 0.000 0.850 517 D CB 1.693 42.524 40.800 0.052 0.000 1.061 517 D HN 0.326 nan 8.370 nan 0.000 0.487 518 P HA -0.157 nan 4.420 nan 0.000 0.218 518 P C 0.906 178.232 177.300 0.044 0.000 1.146 518 P CA 0.909 64.029 63.100 0.033 0.000 0.820 518 P CB 0.434 32.145 31.700 0.018 0.000 0.778 519 E N -0.802 119.425 120.200 0.045 0.000 2.208 519 E HA -0.117 4.234 4.350 0.003 0.000 0.193 519 E C 1.367 178.018 176.600 0.085 0.000 0.988 519 E CA 0.827 57.257 56.400 0.051 0.000 0.828 519 E CB -0.720 29.003 29.700 0.038 0.000 0.763 519 E HN 0.329 nan 8.360 nan 0.000 0.478 520 D N 0.559 121.034 120.400 0.125 0.000 2.350 520 D HA -0.050 4.591 4.640 0.003 0.000 0.216 520 D C 1.627 178.069 176.300 0.237 0.000 0.968 520 D CA 0.685 54.836 54.000 0.252 0.000 0.894 520 D CB 0.057 41.017 40.800 0.266 0.000 0.909 520 D HN 0.110 nan 8.370 nan 0.000 0.520 521 A N 0.625 123.521 122.820 0.127 0.000 2.015 521 A HA -0.171 4.150 4.320 0.003 0.000 0.219 521 A C 2.168 179.823 177.584 0.117 0.000 1.163 521 A CA 1.069 53.171 52.037 0.109 0.000 0.646 521 A CB -0.233 18.817 19.000 0.084 0.000 0.806 521 A HN 0.114 nan 8.150 nan 0.000 0.448 522 R N -0.619 119.937 120.500 0.094 0.000 2.055 522 R HA 0.013 4.354 4.340 0.003 0.000 0.221 522 R C 2.333 178.652 176.300 0.032 0.000 1.154 522 R CA 0.701 56.834 56.100 0.055 0.000 0.975 522 R CB -0.294 30.024 30.300 0.029 0.000 0.869 522 R HN 0.441 nan 8.270 nan 0.000 0.437 523 R N -0.470 120.036 120.500 0.010 0.000 2.133 523 R HA -0.161 4.180 4.340 0.003 0.000 0.247 523 R C 1.598 177.733 176.300 -0.274 0.000 1.151 523 R CA 1.639 57.648 56.100 -0.152 0.000 0.971 523 R CB -0.257 29.912 30.300 -0.219 0.000 0.866 523 R HN 0.265 nan 8.270 nan 0.000 0.447 524 F N 0.133 120.107 119.950 0.040 0.000 2.664 524 F HA 0.260 4.789 4.527 0.002 0.000 0.303 524 F C 0.170 176.072 175.800 0.171 0.000 1.092 524 F CA -0.431 57.634 58.000 0.108 0.000 1.305 524 F CB 0.236 39.252 39.000 0.025 0.000 1.054 524 F HN -0.185 nan 8.300 nan 0.000 0.565 525 R N 1.154 121.781 120.500 0.212 0.000 3.146 525 R HA -0.176 4.166 4.340 0.003 0.000 0.250 525 R C -1.306 175.151 176.300 0.261 0.000 0.912 525 R CA 0.232 56.439 56.100 0.178 0.000 0.633 525 R CB -2.526 27.844 30.300 0.117 0.000 1.180 525 R HN 0.315 nan 8.270 nan 0.000 0.464 526 L N -0.424 120.919 121.223 0.200 0.000 2.333 526 L HA 0.487 4.828 4.340 0.003 0.000 0.263 526 L C 0.165 177.135 176.870 0.168 0.000 1.014 526 L CA -1.379 53.573 54.840 0.187 0.000 0.820 526 L CB 1.639 43.708 42.059 0.016 0.000 1.352 526 L HN -0.047 nan 8.230 nan 0.000 0.421 527 D N 2.194 122.717 120.400 0.206 0.000 2.423 527 D HA 0.162 4.803 4.640 0.003 0.000 0.238 527 D C -2.152 174.233 176.300 0.141 0.000 1.142 527 D CA -0.322 53.775 54.000 0.162 0.000 0.884 527 D CB 0.314 41.218 40.800 0.173 0.000 1.199 527 D HN 0.280 nan 8.370 nan 0.000 0.438 528 P HA 0.128 nan 4.420 nan 0.000 0.270 528 P C -2.550 174.805 177.300 0.092 0.000 1.223 528 P CA -1.043 62.110 63.100 0.087 0.000 0.785 528 P CB -0.266 31.474 31.700 0.066 0.000 0.923 529 P HA 0.119 nan 4.420 nan 0.000 0.266 529 P C 0.869 178.209 177.300 0.067 0.000 1.195 529 P CA 0.072 63.220 63.100 0.079 0.000 0.768 529 P CB 0.402 32.140 31.700 0.064 0.000 0.838 530 R N 2.452 122.995 120.500 0.072 0.000 2.223 530 R HA 0.177 4.518 4.340 0.003 0.000 0.198 530 R C -0.009 176.316 176.300 0.041 0.000 0.984 530 R CA 0.437 56.573 56.100 0.059 0.000 1.018 530 R CB 0.138 30.479 30.300 0.068 0.000 0.945 530 R HN 0.405 nan 8.270 nan 0.000 0.479 531 L N 2.395 123.639 121.223 0.034 0.000 2.341 531 L HA 0.478 4.819 4.340 0.003 0.000 0.278 531 L C -0.891 175.972 176.870 -0.011 0.000 1.005 531 L CA -0.798 54.040 54.840 -0.003 0.000 0.818 531 L CB 2.078 44.109 42.059 -0.047 0.000 1.259 531 L HN 0.054 nan 8.230 nan 0.000 0.418 532 L N 3.121 124.336 121.223 -0.014 0.000 2.309 532 L HA 0.578 4.919 4.340 0.003 0.000 0.261 532 L C -0.970 175.886 176.870 -0.023 0.000 1.021 532 L CA -0.998 53.835 54.840 -0.012 0.000 0.823 532 L CB 2.339 44.394 42.059 -0.007 0.000 1.366 532 L HN 0.327 nan 8.230 nan 0.000 0.423 533 L N 1.419 122.624 121.223 -0.030 0.000 2.289 533 L HA 0.302 4.644 4.340 0.003 0.000 0.285 533 L C 0.849 177.693 176.870 -0.043 0.000 1.049 533 L CA 0.123 54.940 54.840 -0.038 0.000 0.804 533 L CB 1.255 43.278 42.059 -0.060 0.000 1.195 533 L HN 0.501 nan 8.230 nan 0.000 0.428 534 L N 2.439 123.641 121.223 -0.035 0.000 2.395 534 L HA 0.011 4.353 4.340 0.003 0.000 0.218 534 L C 0.338 177.183 176.870 -0.041 0.000 1.130 534 L CA 0.509 55.330 54.840 -0.032 0.000 0.826 534 L CB -0.288 41.758 42.059 -0.023 0.000 0.941 534 L HN 0.809 nan 8.230 nan 0.000 0.451 535 N N -0.449 118.220 118.700 -0.052 0.000 2.726 535 N HA 0.244 4.985 4.740 0.003 0.000 0.253 535 N C -2.852 172.596 175.510 -0.104 0.000 1.530 535 N CA -1.095 51.917 53.050 -0.064 0.000 0.772 535 N CB 0.180 38.640 38.487 -0.046 0.000 1.220 535 N HN -0.062 nan 8.380 nan 0.000 0.508 536 P HA 0.168 nan 4.420 nan 0.000 0.272 536 P C 1.129 178.278 177.300 -0.252 0.000 1.223 536 P CA -0.520 62.437 63.100 -0.238 0.000 0.784 536 P CB 1.970 33.544 31.700 -0.210 0.000 0.923 537 L N 0.418 121.411 121.223 -0.383 0.000 2.201 537 L HA 0.033 4.375 4.340 0.003 0.000 0.212 537 L C 1.229 177.964 176.870 -0.224 0.000 1.105 537 L CA 1.392 56.054 54.840 -0.298 0.000 0.775 537 L CB -0.338 41.489 42.059 -0.387 0.000 0.913 537 L HN 0.582 nan 8.230 nan 0.000 0.440 538 A N -2.092 120.583 122.820 -0.241 0.000 2.567 538 A HA 0.423 4.744 4.320 0.003 0.000 0.291 538 A C -2.238 175.253 177.584 -0.154 0.000 1.048 538 A CA -0.707 51.234 52.037 -0.161 0.000 0.661 538 A CB 0.222 19.140 19.000 -0.137 0.000 1.288 538 A HN -0.215 nan 8.150 nan 0.000 0.424 539 P HA -0.089 nan 4.420 nan 0.000 0.222 539 P C 0.546 177.805 177.300 -0.068 0.000 1.147 539 P CA 1.375 64.428 63.100 -0.078 0.000 0.790 539 P CB 0.288 31.957 31.700 -0.051 0.000 0.780 540 E N 0.227 120.386 120.200 -0.067 0.000 2.418 540 E HA -0.047 4.304 4.350 0.003 0.000 0.197 540 E C 0.869 177.438 176.600 -0.052 0.000 1.026 540 E CA 0.864 57.241 56.400 -0.039 0.000 0.862 540 E CB -0.337 29.350 29.700 -0.022 0.000 0.799 540 E HN 0.363 nan 8.360 nan 0.000 0.518 541 K N -0.559 119.759 120.400 -0.137 0.000 2.934 541 K HA 0.385 4.707 4.320 0.003 0.000 0.210 541 K C 0.433 176.859 176.600 -0.290 0.000 1.122 541 K CA 0.052 56.202 56.287 -0.228 0.000 1.033 541 K CB 1.293 33.488 32.500 -0.509 0.000 0.779 541 K HN -0.023 nan 8.250 nan 0.000 0.459 542 A N 0.667 123.402 122.820 -0.142 0.000 2.251 542 A HA 0.402 4.724 4.320 0.003 0.000 0.209 542 A C 0.728 178.287 177.584 -0.041 0.000 1.187 542 A CA 0.383 52.352 52.037 -0.113 0.000 0.823 542 A CB 0.148 19.101 19.000 -0.077 0.000 0.846 542 A HN 0.325 nan 8.150 nan 0.000 0.486 543 A N -0.884 121.946 122.820 0.016 0.000 2.532 543 A HA 0.729 5.050 4.320 0.003 0.000 0.290 543 A C -0.936 176.716 177.584 0.113 0.000 1.143 543 A CA -0.582 51.485 52.037 0.051 0.000 0.728 543 A CB 0.763 19.788 19.000 0.041 0.000 1.317 543 A HN 0.203 nan 8.150 nan 0.000 0.414 544 L N 2.049 123.304 121.223 0.053 0.000 2.272 544 L HA 0.407 4.748 4.340 0.003 0.000 0.289 544 L C 0.830 177.785 176.870 0.141 0.000 1.032 544 L CA -0.771 54.085 54.840 0.026 0.000 0.810 544 L CB 1.121 43.018 42.059 -0.270 0.000 1.205 544 L HN 0.953 nan 8.230 nan 0.000 0.422 545 R N 0.768 121.360 120.500 0.153 0.000 2.619 545 R HA -0.027 4.315 4.340 0.003 0.000 0.268 545 R C 0.510 176.863 176.300 0.088 0.000 0.990 545 R CA 0.619 56.772 56.100 0.088 0.000 1.092 545 R CB -0.079 30.231 30.300 0.016 0.000 0.935 545 R HN 0.756 nan 8.270 nan 0.000 0.415 546 T N -1.826 112.755 114.554 0.044 0.000 3.001 546 T HA 0.159 4.511 4.350 0.003 0.000 0.251 546 T C -0.062 174.475 174.700 -0.271 0.000 1.040 546 T CA -0.065 62.022 62.100 -0.021 0.000 0.985 546 T CB -0.029 68.924 68.868 0.142 0.000 1.011 546 T HN 0.787 nan 8.240 nan 0.000 0.509 547 H N -1.394 117.551 119.070 -0.208 0.000 2.960 547 H HA 0.685 5.243 4.556 0.003 0.000 0.338 547 H C -0.250 174.899 175.328 -0.298 0.000 1.261 547 H CA -1.046 54.858 56.048 -0.240 0.000 1.136 547 H CB 1.322 30.835 29.762 -0.414 0.000 1.875 547 H HN -0.101 nan 8.280 nan 0.000 0.550 548 L N 0.230 121.400 121.223 -0.087 0.000 2.609 548 L HA 0.120 4.461 4.340 0.003 0.000 0.230 548 L C 1.651 178.435 176.870 -0.144 0.000 1.064 548 L CA 0.537 55.297 54.840 -0.133 0.000 0.873 548 L CB -0.503 41.506 42.059 -0.083 0.000 1.139 548 L HN 0.661 nan 8.230 nan 0.000 0.490 549 F N 0.034 119.922 119.950 -0.104 0.000 2.146 549 F HA 0.045 4.574 4.527 0.003 0.000 0.298 549 F C -0.601 175.062 175.800 -0.228 0.000 1.096 549 F CA 0.467 58.390 58.000 -0.127 0.000 1.275 549 F CB -2.593 36.379 39.000 -0.048 0.000 1.008 549 F HN 0.056 nan 8.300 nan 0.000 0.480 550 P HA -0.134 nan 4.420 nan 0.000 0.215 550 P C 2.075 179.020 177.300 -0.591 0.000 1.163 550 P CA 2.694 65.040 63.100 -1.256 0.000 0.894 550 P CB -0.540 30.202 31.700 -1.597 0.000 0.791 551 G N -0.317 108.240 108.800 -0.404 0.000 2.446 551 G HA2 -0.253 3.709 3.960 0.003 0.000 0.217 551 G HA3 -0.253 3.709 3.960 0.003 0.000 0.217 551 G C 1.524 176.359 174.900 -0.109 0.000 1.168 551 G CA 0.689 45.669 45.100 -0.200 0.000 0.771 551 G HN 0.225 nan 8.290 nan 0.000 0.551 552 L N 0.215 121.389 121.223 -0.083 0.000 2.083 552 L HA -0.098 4.244 4.340 0.003 0.000 0.209 552 L C 3.020 179.904 176.870 0.024 0.000 1.083 552 L CA 0.446 55.274 54.840 -0.020 0.000 0.752 552 L CB -0.460 41.604 42.059 0.008 0.000 0.899 552 L HN 0.111 nan 8.230 nan 0.000 0.433 553 V N -0.209 119.745 119.914 0.066 0.000 2.295 553 V HA -0.283 3.839 4.120 0.003 0.000 0.246 553 V C 2.597 178.746 176.094 0.093 0.000 1.049 553 V CA 1.729 64.111 62.300 0.136 0.000 1.024 553 V CB -0.644 31.375 31.823 0.326 0.000 0.648 553 V HN 0.420 nan 8.190 nan 0.000 0.447 554 R N -0.153 120.395 120.500 0.081 0.000 2.105 554 R HA -0.138 4.204 4.340 0.003 0.000 0.239 554 R C 2.358 178.672 176.300 0.023 0.000 1.135 554 R CA 1.619 57.761 56.100 0.071 0.000 0.967 554 R CB -0.686 29.651 30.300 0.061 0.000 0.861 554 R HN 0.546 nan 8.270 nan 0.000 0.442 555 V N 1.059 120.974 119.914 0.000 0.000 2.626 555 V HA -0.141 3.980 4.120 0.003 0.000 0.252 555 V C 1.910 177.989 176.094 -0.026 0.000 1.067 555 V CA 1.402 63.693 62.300 -0.014 0.000 1.081 555 V CB -0.264 31.543 31.823 -0.027 0.000 0.686 555 V HN 0.225 nan 8.190 nan 0.000 0.468 556 L N 0.682 121.883 121.223 -0.036 0.000 2.005 556 L HA -0.041 4.301 4.340 0.003 0.000 0.207 556 L C 2.493 179.285 176.870 -0.130 0.000 1.072 556 L CA 2.426 57.205 54.840 -0.102 0.000 0.744 556 L CB -1.211 40.763 42.059 -0.141 0.000 0.895 556 L HN 0.255 nan 8.230 nan 0.000 0.433 557 K N 0.330 120.679 120.400 -0.085 0.000 2.020 557 K HA -0.246 4.076 4.320 0.003 0.000 0.212 557 K C 2.038 178.612 176.600 -0.043 0.000 1.050 557 K CA 2.327 58.575 56.287 -0.066 0.000 0.929 557 K CB -0.352 32.141 32.500 -0.011 0.000 0.714 557 K HN 0.583 nan 8.250 nan 0.000 0.443 558 E N 0.181 120.369 120.200 -0.020 0.000 2.058 558 E HA -0.177 4.175 4.350 0.003 0.000 0.194 558 E C 2.027 178.618 176.600 -0.014 0.000 0.997 558 E CA 1.068 57.464 56.400 -0.008 0.000 0.801 558 E CB -0.114 29.588 29.700 0.003 0.000 0.746 558 E HN 0.344 nan 8.360 nan 0.000 0.450 559 N N 0.609 119.294 118.700 -0.024 0.000 2.120 559 N HA -0.131 4.610 4.740 0.003 0.000 0.188 559 N C 2.010 177.511 175.510 -0.015 0.000 1.024 559 N CA 0.853 53.893 53.050 -0.016 0.000 0.852 559 N CB -0.104 38.373 38.487 -0.016 0.000 1.003 559 N HN 0.152 nan 8.380 nan 0.000 0.424 560 L N 1.088 122.283 121.223 -0.046 0.000 2.079 560 L HA -0.181 4.160 4.340 0.003 0.000 0.210 560 L C 1.544 178.412 176.870 -0.004 0.000 1.081 560 L CA 1.105 55.925 54.840 -0.034 0.000 0.752 560 L CB -0.321 41.679 42.059 -0.098 0.000 0.896 560 L HN 0.037 nan 8.230 nan 0.000 0.433 561 D N -0.463 119.932 120.400 -0.008 0.000 2.234 561 D HA -0.102 4.539 4.640 0.003 0.000 0.205 561 D C 2.230 178.536 176.300 0.010 0.000 0.962 561 D CA 0.817 54.819 54.000 0.004 0.000 0.855 561 D CB 0.189 40.991 40.800 0.003 0.000 0.951 561 D HN 0.271 nan 8.370 nan 0.000 0.500 562 L N 0.110 121.338 121.223 0.009 0.000 2.130 562 L HA 0.023 4.364 4.340 0.003 0.000 0.200 562 L C 0.098 176.978 176.870 0.017 0.000 1.075 562 L CA 1.051 55.898 54.840 0.012 0.000 0.768 562 L CB 0.328 42.393 42.059 0.010 0.000 0.933 562 L HN -0.107 nan 8.230 nan 0.000 0.451 563 D N -1.042 119.369 120.400 0.020 0.000 2.493 563 D HA 0.329 4.970 4.640 0.003 0.000 0.239 563 D C -0.676 175.647 176.300 0.038 0.000 1.049 563 D CA -0.512 53.504 54.000 0.028 0.000 1.008 563 D CB 1.447 42.264 40.800 0.028 0.000 1.398 563 D HN -0.131 nan 8.370 nan 0.000 0.513 564 R N 0.514 121.044 120.500 0.050 0.000 3.057 564 R HA 0.351 4.693 4.340 0.003 0.000 0.291 564 R C -2.412 173.949 176.300 0.101 0.000 1.394 564 R CA -1.353 54.790 56.100 0.072 0.000 1.630 564 R CB -0.126 30.213 30.300 0.066 0.000 1.268 564 R HN 0.070 nan 8.270 nan 0.000 0.621 565 P HA -0.019 nan 4.420 nan 0.000 0.264 565 P C 0.196 177.626 177.300 0.217 0.000 1.183 565 P CA 0.123 63.312 63.100 0.148 0.000 0.763 565 P CB 0.847 32.644 31.700 0.161 0.000 0.807 566 E N 2.002 122.276 120.200 0.124 0.000 2.358 566 E HA -0.073 4.279 4.350 0.003 0.000 0.195 566 E C 0.768 177.331 176.600 -0.061 0.000 1.010 566 E CA 0.559 56.993 56.400 0.056 0.000 0.856 566 E CB 0.165 29.871 29.700 0.009 0.000 0.795 566 E HN 0.490 nan 8.360 nan 0.000 0.504 567 R N -1.491 119.029 120.500 0.033 0.000 2.826 567 R HA 0.744 5.086 4.340 0.003 0.000 0.269 567 R C -1.784 174.628 176.300 0.187 0.000 1.031 567 R CA -0.911 55.154 56.100 -0.058 0.000 0.900 567 R CB 1.072 31.298 30.300 -0.123 0.000 1.318 567 R HN -0.067 nan 8.270 nan 0.000 0.447 568 A N 0.361 123.286 122.820 0.175 0.000 2.573 568 A HA 0.552 4.873 4.320 0.003 0.000 0.299 568 A C -2.173 175.459 177.584 0.079 0.000 1.060 568 A CA -0.627 51.506 52.037 0.160 0.000 0.736 568 A CB 1.976 21.127 19.000 0.252 0.000 1.280 568 A HN 0.586 nan 8.150 nan 0.000 0.401 569 L N 3.078 124.289 121.223 -0.020 0.000 2.442 569 L HA 0.731 5.073 4.340 0.003 0.000 0.261 569 L C -1.391 175.472 176.870 -0.012 0.000 1.000 569 L CA -0.068 54.681 54.840 -0.152 0.000 0.882 569 L CB 0.654 42.419 42.059 -0.489 0.000 1.207 569 L HN 0.652 nan 8.230 nan 0.000 0.443 570 L N 3.980 125.293 121.223 0.150 0.000 2.313 570 L HA 0.760 5.101 4.340 0.003 0.000 0.268 570 L C -0.727 176.413 176.870 0.450 0.000 1.010 570 L CA -0.943 54.042 54.840 0.242 0.000 0.814 570 L CB 1.856 43.983 42.059 0.112 0.000 1.304 570 L HN 0.588 nan 8.230 nan 0.000 0.441 571 F N -0.577 119.470 119.950 0.163 0.000 2.668 571 F HA 0.757 5.286 4.527 0.002 0.000 0.309 571 F C -1.211 174.580 175.800 -0.014 0.000 1.117 571 F CA -0.682 57.350 58.000 0.054 0.000 0.951 571 F CB 1.795 40.805 39.000 0.016 0.000 1.323 571 F HN 0.571 nan 8.300 nan 0.000 0.451 572 E N 2.383 122.438 120.200 -0.242 0.000 2.335 572 E HA 0.639 4.990 4.350 0.003 0.000 0.280 572 E C -2.362 174.145 176.600 -0.155 0.000 0.918 572 E CA -0.880 55.308 56.400 -0.353 0.000 0.765 572 E CB 2.696 32.242 29.700 -0.257 0.000 1.218 572 E HN 0.719 nan 8.360 nan 0.000 0.425 573 V N 2.963 122.769 119.914 -0.180 0.000 2.495 573 V HA 0.911 5.033 4.120 0.003 0.000 0.298 573 V C 0.304 176.265 176.094 -0.222 0.000 1.031 573 V CA 0.225 62.458 62.300 -0.113 0.000 0.871 573 V CB 1.327 33.127 31.823 -0.039 0.000 0.988 573 V HN 0.804 nan 8.190 nan 0.000 0.432 574 G N 3.658 112.342 108.800 -0.193 0.000 2.523 574 G HA2 0.585 4.546 3.960 0.003 0.000 0.291 574 G HA3 0.585 4.546 3.960 0.003 0.000 0.291 574 G C -1.660 173.084 174.900 -0.260 0.000 1.450 574 G CA -1.093 43.859 45.100 -0.247 0.000 0.790 574 G HN 0.465 nan 8.290 nan 0.000 0.496 575 R N -1.037 119.279 120.500 -0.307 0.000 2.490 575 R HA 0.663 5.005 4.340 0.003 0.000 0.280 575 R C -0.086 175.756 176.300 -0.764 0.000 1.077 575 R CA -0.258 55.542 56.100 -0.501 0.000 1.065 575 R CB 1.344 31.361 30.300 -0.471 0.000 1.003 575 R HN 0.348 nan 8.270 nan 0.000 0.470 576 V N 4.009 123.326 119.914 -0.995 0.000 2.823 576 V HA 0.548 4.670 4.120 0.003 0.000 0.312 576 V C -1.235 174.199 176.094 -1.100 0.000 1.072 576 V CA -0.704 61.035 62.300 -0.935 0.000 0.937 576 V CB 1.834 33.111 31.823 -0.910 0.000 1.013 576 V HN 0.528 nan 8.190 nan 0.000 0.430 577 F N 3.704 123.549 119.950 -0.175 0.000 2.477 577 F HA 0.840 5.369 4.527 0.003 0.000 0.335 577 F C 0.198 175.952 175.800 -0.076 0.000 1.130 577 F CA -0.840 57.098 58.000 -0.104 0.000 0.948 577 F CB 1.635 40.593 39.000 -0.070 0.000 1.154 577 F HN 0.482 nan 8.300 nan 0.000 0.439 578 R N 1.605 122.148 120.500 0.071 0.000 3.119 578 R HA 0.493 4.834 4.340 0.003 0.000 0.294 578 R C -0.537 175.795 176.300 0.053 0.000 1.267 578 R CA -0.827 55.309 56.100 0.060 0.000 1.078 578 R CB 0.659 30.971 30.300 0.021 0.000 1.320 578 R HN 0.585 nan 8.270 nan 0.000 0.380 579 E N 0.156 120.396 120.200 0.065 0.000 4.795 579 E HA -0.263 4.088 4.350 0.003 0.000 0.162 579 E C -0.429 176.203 176.600 0.053 0.000 1.142 579 E CA 2.159 58.593 56.400 0.056 0.000 2.419 579 E CB -0.553 29.179 29.700 0.054 0.000 1.740 579 E HN 0.759 nan 8.360 nan 0.000 0.493 580 R N 0.036 120.563 120.500 0.046 0.000 2.739 580 R HA 0.387 4.728 4.340 0.003 0.000 0.271 580 R C -1.349 174.958 176.300 0.011 0.000 1.010 580 R CA -0.680 55.443 56.100 0.039 0.000 0.897 580 R CB 1.852 32.169 30.300 0.028 0.000 1.236 580 R HN 0.069 nan 8.270 nan 0.000 0.466 581 E N 2.501 122.708 120.200 0.012 0.000 2.259 581 E HA 0.061 4.412 4.350 0.003 0.000 0.281 581 E C -0.951 175.559 176.600 -0.151 0.000 1.037 581 E CA -0.047 56.296 56.400 -0.096 0.000 0.854 581 E CB 0.748 30.452 29.700 0.007 0.000 1.051 581 E HN 0.490 nan 8.360 nan 0.000 0.409 582 E N 2.284 122.324 120.200 -0.266 0.000 2.416 582 E HA 0.423 4.775 4.350 0.003 0.000 0.273 582 E C -1.145 175.333 176.600 -0.203 0.000 0.935 582 E CA -1.063 55.244 56.400 -0.156 0.000 0.784 582 E CB 1.609 31.292 29.700 -0.027 0.000 1.301 582 E HN 0.196 nan 8.360 nan 0.000 0.454 583 T N 1.326 115.849 114.554 -0.052 0.000 2.799 583 T HA 0.375 4.727 4.350 0.003 0.000 0.286 583 T C -1.011 173.792 174.700 0.171 0.000 0.973 583 T CA -0.428 61.651 62.100 -0.036 0.000 1.035 583 T CB 0.369 69.206 68.868 -0.052 0.000 0.932 583 T HN 0.317 nan 8.240 nan 0.000 0.469 584 H N 1.210 120.182 119.070 -0.162 0.000 2.737 584 H HA 0.778 5.335 4.556 0.003 0.000 0.358 584 H C -0.860 174.391 175.328 -0.127 0.000 1.187 584 H CA -1.245 54.719 56.048 -0.140 0.000 1.221 584 H CB 1.403 31.066 29.762 -0.165 0.000 1.799 584 H HN 0.386 nan 8.280 nan 0.000 0.568 585 L N 1.025 122.231 121.223 -0.028 0.000 2.439 585 L HA 0.803 5.144 4.340 0.003 0.000 0.270 585 L C -1.280 175.469 176.870 -0.202 0.000 0.972 585 L CA -0.412 54.394 54.840 -0.058 0.000 0.836 585 L CB 0.992 43.038 42.059 -0.022 0.000 1.255 585 L HN 0.709 nan 8.230 nan 0.000 0.404 586 A N 2.906 125.559 122.820 -0.278 0.000 2.413 586 A HA 1.014 5.336 4.320 0.003 0.000 0.307 586 A C -0.416 176.778 177.584 -0.649 0.000 1.087 586 A CA -0.057 51.632 52.037 -0.580 0.000 0.750 586 A CB 1.687 20.526 19.000 -0.269 0.000 1.296 586 A HN 1.104 nan 8.150 nan 0.000 0.423 587 G N -0.610 107.524 108.800 -1.111 0.000 2.660 587 G HA2 0.647 4.609 3.960 0.003 0.000 0.294 587 G HA3 0.647 4.609 3.960 0.003 0.000 0.294 587 G C -1.733 173.186 174.900 0.032 0.000 1.369 587 G CA -0.499 44.423 45.100 -0.296 0.000 0.912 587 G HN 1.300 nan 8.290 nan 0.000 0.479 588 L N 0.737 122.112 121.223 0.253 0.000 2.455 588 L HA 0.822 5.163 4.340 0.003 0.000 0.264 588 L C -1.846 175.170 176.870 0.243 0.000 0.968 588 L CA -1.040 53.945 54.840 0.242 0.000 0.827 588 L CB 2.130 44.293 42.059 0.172 0.000 1.317 588 L HN 0.576 nan 8.230 nan 0.000 0.407 589 L N 4.900 126.287 121.223 0.273 0.000 2.365 589 L HA 0.772 5.114 4.340 0.003 0.000 0.273 589 L C -1.612 175.451 176.870 0.322 0.000 1.000 589 L CA -0.224 54.748 54.840 0.221 0.000 0.819 589 L CB 1.722 43.895 42.059 0.190 0.000 1.284 589 L HN 0.592 nan 8.230 nan 0.000 0.418 590 F N 4.707 124.720 119.950 0.105 0.000 2.650 590 F HA 0.824 5.354 4.527 0.005 0.000 0.310 590 F C -0.169 175.677 175.800 0.077 0.000 1.112 590 F CA 0.445 58.506 58.000 0.102 0.000 0.986 590 F CB 1.483 40.531 39.000 0.080 0.000 1.285 590 F HN 0.983 nan 8.300 nan 0.000 0.440 591 G N 4.618 112.660 108.800 -1.263 0.000 2.422 591 G HA2 -0.079 3.883 3.960 0.003 0.000 0.607 591 G HA3 -0.079 3.883 3.960 0.003 0.000 0.607 591 G C 0.173 174.838 174.900 -0.391 0.000 1.270 591 G CA -0.028 44.461 45.100 -1.018 0.000 0.992 591 G HN 1.155 nan 8.290 nan 0.000 0.499 592 E N -0.457 119.585 120.200 -0.263 0.000 2.110 592 E HA 0.316 4.668 4.350 0.003 0.000 0.193 592 E C 1.488 178.036 176.600 -0.086 0.000 0.988 592 E CA 1.401 57.723 56.400 -0.131 0.000 0.804 592 E CB 0.015 29.655 29.700 -0.099 0.000 0.745 592 E HN 2.464 nan 8.360 nan 0.000 0.458 593 G N -0.257 108.491 108.800 -0.087 0.000 2.396 593 G HA2 -0.124 3.837 3.960 0.003 0.000 0.254 593 G HA3 -0.124 3.837 3.960 0.003 0.000 0.254 593 G C -0.819 174.056 174.900 -0.042 0.000 1.248 593 G CA -0.446 44.627 45.100 -0.045 0.000 1.033 593 G HN 0.290 nan 8.290 nan 0.000 0.502 594 V N 0.969 120.865 119.914 -0.030 0.000 2.547 594 V HA 0.923 5.045 4.120 0.003 0.000 0.299 594 V C 1.042 177.090 176.094 -0.076 0.000 1.040 594 V CA 0.919 63.193 62.300 -0.043 0.000 0.913 594 V CB 0.700 32.511 31.823 -0.020 0.000 0.992 594 V HN 2.496 nan 8.190 nan 0.000 0.449 595 G N 2.644 111.380 108.800 -0.108 0.000 2.323 595 G HA2 0.322 4.284 3.960 0.003 0.000 0.291 595 G HA3 0.322 4.284 3.960 0.003 0.000 0.291 595 G C -1.610 173.143 174.900 -0.244 0.000 1.278 595 G CA -1.111 43.895 45.100 -0.158 0.000 0.860 595 G HN 0.590 nan 8.290 nan 0.000 0.504 596 L N 1.795 122.789 121.223 -0.382 0.000 2.369 596 L HA 0.226 4.567 4.340 0.003 0.000 0.279 596 L C -1.241 175.231 176.870 -0.664 0.000 1.108 596 L CA -1.373 53.041 54.840 -0.711 0.000 0.852 596 L CB 1.401 42.757 42.059 -1.172 0.000 1.169 596 L HN 0.328 nan 8.230 nan 0.000 0.452 597 P HA -0.234 nan 4.420 nan 0.000 0.218 597 P C 1.161 178.378 177.300 -0.138 0.000 1.154 597 P CA 1.794 64.757 63.100 -0.229 0.000 0.872 597 P CB -0.016 31.648 31.700 -0.060 0.000 0.790 598 W N -1.227 120.074 121.300 0.002 0.000 2.523 598 W HA 0.465 5.124 4.660 -0.002 0.000 0.278 598 W C 0.997 177.517 176.519 0.001 0.000 1.236 598 W CA 0.160 57.506 57.345 0.002 0.000 1.306 598 W CB -1.595 27.866 29.460 0.002 0.000 1.101 598 W HN -0.137 nan 8.180 nan 0.000 0.577 599 A N 2.790 125.510 122.820 -0.167 0.000 2.256 599 A HA 0.208 4.530 4.320 0.003 0.000 0.276 599 A C 1.627 179.170 177.584 -0.069 0.000 1.259 599 A CA 0.653 52.640 52.037 -0.084 0.000 0.813 599 A CB 0.393 19.224 19.000 -0.281 0.000 1.200 599 A HN 0.126 nan 8.150 nan 0.000 0.506 600 K N -0.819 119.551 120.400 -0.050 0.000 2.344 600 K HA 0.177 4.499 4.320 0.003 0.000 0.200 600 K C -0.212 176.357 176.600 -0.052 0.000 1.132 600 K CA 0.266 56.532 56.287 -0.035 0.000 0.935 600 K CB -0.821 31.676 32.500 -0.004 0.000 1.089 600 K HN 0.512 nan 8.250 nan 0.000 0.496 601 E N 1.954 122.119 120.200 -0.058 0.000 2.442 601 E HA 0.158 4.510 4.350 0.003 0.000 0.262 601 E C -0.616 175.940 176.600 -0.075 0.000 1.004 601 E CA 0.594 56.959 56.400 -0.057 0.000 0.928 601 E CB 0.505 30.171 29.700 -0.056 0.000 0.937 601 E HN 0.111 nan 8.360 nan 0.000 0.446 602 R N 1.346 121.812 120.500 -0.056 0.000 2.680 602 R HA 0.463 4.805 4.340 0.003 0.000 0.269 602 R C -1.108 175.168 176.300 -0.040 0.000 1.026 602 R CA -0.722 55.343 56.100 -0.058 0.000 0.889 602 R CB 1.342 31.609 30.300 -0.055 0.000 1.241 602 R HN 0.357 nan 8.270 nan 0.000 0.463 603 L N 1.886 123.084 121.223 -0.041 0.000 2.307 603 L HA 0.688 5.030 4.340 0.003 0.000 0.284 603 L C -0.092 176.773 176.870 -0.009 0.000 1.023 603 L CA -0.233 54.592 54.840 -0.025 0.000 0.810 603 L CB 1.707 43.739 42.059 -0.044 0.000 1.231 603 L HN 0.914 nan 8.230 nan 0.000 0.423 604 S N 1.121 116.829 115.700 0.014 0.000 2.671 604 S HA 0.808 5.279 4.470 0.003 0.000 0.270 604 S C -0.168 174.442 174.600 0.017 0.000 1.166 604 S CA -0.277 57.934 58.200 0.019 0.000 0.868 604 S CB 0.829 64.037 63.200 0.012 0.000 1.190 604 S HN 1.300 nan 8.310 nan 0.000 0.494 605 G N 0.772 109.576 108.800 0.008 0.000 2.641 605 G HA2 -0.261 3.701 3.960 0.003 0.000 0.254 605 G HA3 -0.261 3.701 3.960 0.003 0.000 0.254 605 G C 0.280 174.817 174.900 -0.605 0.000 1.315 605 G CA 0.959 45.954 45.100 -0.175 0.000 0.907 605 G HN 1.913 nan 8.290 nan 0.000 0.572 606 Y N 0.122 119.723 120.300 -1.165 0.000 2.029 606 Y HA -0.214 4.336 4.550 0.001 0.000 0.269 606 Y C 2.691 178.303 175.900 -0.480 0.000 1.201 606 Y CA 3.379 61.004 58.100 -0.792 0.000 1.115 606 Y CB -0.581 37.514 38.460 -0.608 0.000 0.945 606 Y HN 0.408 nan 8.280 nan 0.000 0.497 607 F N -1.086 118.755 119.950 -0.181 0.000 2.604 607 F HA -0.079 4.450 4.527 0.004 0.000 0.298 607 F C 1.920 177.607 175.800 -0.189 0.000 1.131 607 F CA 0.715 58.595 58.000 -0.200 0.000 1.457 607 F CB -0.500 38.484 39.000 -0.026 0.000 1.095 607 F HN 0.201 nan 8.300 nan 0.000 0.574 608 L N -0.508 120.683 121.223 -0.053 0.000 2.102 608 L HA -0.029 4.312 4.340 0.003 0.000 0.202 608 L C 2.110 178.990 176.870 0.018 0.000 1.076 608 L CA 1.479 56.309 54.840 -0.017 0.000 0.761 608 L CB -0.768 41.304 42.059 0.021 0.000 0.921 608 L HN 0.112 nan 8.230 nan 0.000 0.444 609 L N -0.113 121.080 121.223 -0.050 0.000 2.012 609 L HA -0.276 4.065 4.340 0.003 0.000 0.210 609 L C 2.617 179.457 176.870 -0.050 0.000 1.073 609 L CA 2.031 56.883 54.840 0.021 0.000 0.748 609 L CB -0.351 41.700 42.059 -0.015 0.000 0.891 609 L HN 0.403 nan 8.230 nan 0.000 0.431 610 K N -0.498 119.750 120.400 -0.253 0.000 2.209 610 K HA -0.141 4.180 4.320 0.003 0.000 0.204 610 K C 1.838 178.433 176.600 -0.008 0.000 1.048 610 K CA 1.199 57.388 56.287 -0.163 0.000 0.940 610 K CB -0.174 32.116 32.500 -0.350 0.000 0.729 610 K HN 0.414 nan 8.250 nan 0.000 0.451 611 G N 0.045 108.823 108.800 -0.037 0.000 2.433 611 G HA2 -0.251 3.711 3.960 0.003 0.000 0.216 611 G HA3 -0.251 3.711 3.960 0.003 0.000 0.216 611 G C 1.084 175.930 174.900 -0.090 0.000 1.186 611 G CA 0.779 45.837 45.100 -0.071 0.000 0.779 611 G HN 0.291 nan 8.290 nan 0.000 0.543 612 Y N 0.653 120.937 120.300 -0.027 0.000 2.181 612 Y HA 0.008 4.559 4.550 0.003 0.000 0.288 612 Y C 2.834 178.706 175.900 -0.047 0.000 1.146 612 Y CA 0.888 58.998 58.100 0.016 0.000 1.164 612 Y CB -0.324 38.188 38.460 0.087 0.000 0.982 612 Y HN 0.057 nan 8.280 nan 0.000 0.515 613 L N -0.376 120.845 121.223 -0.003 0.000 2.046 613 L HA -0.243 4.098 4.340 0.003 0.000 0.208 613 L C 2.250 178.944 176.870 -0.293 0.000 1.077 613 L CA 1.572 56.226 54.840 -0.310 0.000 0.747 613 L CB -0.513 41.242 42.059 -0.507 0.000 0.896 613 L HN 0.293 nan 8.230 nan 0.000 0.432 614 E N -0.023 120.137 120.200 -0.066 0.000 2.077 614 E HA -0.225 4.126 4.350 0.003 0.000 0.193 614 E C 2.280 178.905 176.600 0.041 0.000 0.989 614 E CA 1.162 57.628 56.400 0.110 0.000 0.800 614 E CB -0.142 29.686 29.700 0.213 0.000 0.746 614 E HN 0.503 nan 8.360 nan 0.000 0.452 615 A N 1.241 124.055 122.820 -0.010 0.000 1.902 615 A HA -0.181 4.141 4.320 0.003 0.000 0.217 615 A C 2.171 179.714 177.584 -0.068 0.000 1.181 615 A CA 1.138 53.161 52.037 -0.023 0.000 0.623 615 A CB -0.603 18.383 19.000 -0.024 0.000 0.818 615 A HN 0.243 nan 8.150 nan 0.000 0.443 616 L N -1.261 119.869 121.223 -0.154 0.000 1.970 616 L HA -0.128 4.214 4.340 0.003 0.000 0.212 616 L C 2.152 178.773 176.870 -0.415 0.000 1.071 616 L CA 2.209 56.840 54.840 -0.348 0.000 0.751 616 L CB -0.846 40.853 42.059 -0.600 0.000 0.889 616 L HN 0.331 nan 8.230 nan 0.000 0.432 617 F N -0.226 119.570 119.950 -0.256 0.000 2.365 617 F HA -0.032 4.496 4.527 0.002 0.000 0.300 617 F C 2.373 178.129 175.800 -0.074 0.000 1.090 617 F CA 0.926 58.819 58.000 -0.179 0.000 1.408 617 F CB -0.958 37.912 39.000 -0.218 0.000 1.060 617 F HN 0.236 nan 8.300 nan 0.000 0.534 618 A N -0.127 122.739 122.820 0.077 0.000 1.898 618 A HA -0.130 4.192 4.320 0.003 0.000 0.214 618 A C 2.172 179.764 177.584 0.013 0.000 1.183 618 A CA 1.202 53.276 52.037 0.061 0.000 0.622 618 A CB -0.477 18.552 19.000 0.049 0.000 0.824 618 A HN 0.203 nan 8.150 nan 0.000 0.444 619 R N -0.062 120.417 120.500 -0.035 0.000 2.189 619 R HA 0.081 4.423 4.340 0.003 0.000 0.223 619 R C 1.304 177.566 176.300 -0.063 0.000 1.092 619 R CA 1.177 57.245 56.100 -0.053 0.000 0.989 619 R CB -0.661 29.590 30.300 -0.081 0.000 0.876 619 R HN 0.502 nan 8.270 nan 0.000 0.457 620 L N -1.024 120.151 121.223 -0.080 0.000 2.607 620 L HA 0.313 4.654 4.340 0.003 0.000 0.228 620 L C 0.851 177.727 176.870 0.010 0.000 1.123 620 L CA 0.319 55.118 54.840 -0.068 0.000 0.890 620 L CB 0.159 42.131 42.059 -0.145 0.000 1.103 620 L HN 0.432 nan 8.230 nan 0.000 0.468 621 G N 1.398 110.220 108.800 0.036 0.000 2.295 621 G HA2 -0.266 3.695 3.960 0.003 0.000 0.287 621 G HA3 -0.266 3.695 3.960 0.003 0.000 0.287 621 G C -0.256 174.697 174.900 0.088 0.000 1.055 621 G CA 0.099 45.233 45.100 0.057 0.000 0.922 621 G HN 0.246 nan 8.290 nan 0.000 0.503 622 L N -0.619 120.692 121.223 0.148 0.000 2.401 622 L HA 0.793 5.135 4.340 0.003 0.000 0.266 622 L C 0.780 177.741 176.870 0.153 0.000 0.991 622 L CA -0.948 53.993 54.840 0.168 0.000 0.818 622 L CB 2.062 44.284 42.059 0.270 0.000 1.321 622 L HN 0.333 nan 8.230 nan 0.000 0.413 623 A N 2.180 125.047 122.820 0.079 0.000 2.498 623 A HA 0.451 4.773 4.320 0.003 0.000 0.239 623 A C -0.998 176.602 177.584 0.027 0.000 1.068 623 A CA 0.407 52.473 52.037 0.050 0.000 0.766 623 A CB 0.036 19.041 19.000 0.009 0.000 1.003 623 A HN 0.526 nan 8.150 nan 0.000 0.497 624 F N 3.087 122.939 119.950 -0.163 0.000 2.588 624 F HA 0.637 5.165 4.527 0.002 0.000 0.318 624 F C -0.347 175.362 175.800 -0.150 0.000 1.155 624 F CA -0.634 57.186 58.000 -0.300 0.000 0.967 624 F CB 1.469 40.204 39.000 -0.442 0.000 1.236 624 F HN 0.844 nan 8.300 nan 0.000 0.455 625 R N 4.355 124.310 120.500 -0.909 0.000 2.707 625 R HA 0.859 5.201 4.340 0.003 0.000 0.272 625 R C -2.469 173.429 176.300 -0.671 0.000 1.011 625 R CA -1.111 54.542 56.100 -0.744 0.000 0.893 625 R CB 2.017 32.135 30.300 -0.304 0.000 1.233 625 R HN 0.373 nan 8.270 nan 0.000 0.464 626 V N 1.879 121.538 119.914 -0.425 0.000 2.407 626 V HA 0.356 4.478 4.120 0.003 0.000 0.291 626 V C -0.460 175.619 176.094 -0.024 0.000 1.018 626 V CA -0.662 61.539 62.300 -0.165 0.000 0.842 626 V CB 1.405 33.204 31.823 -0.041 0.000 0.996 626 V HN 0.760 nan 8.190 nan 0.000 0.426 627 E N 2.790 122.999 120.200 0.015 0.000 2.191 627 E HA 0.693 5.044 4.350 0.003 0.000 0.274 627 E C -0.123 176.522 176.600 0.076 0.000 0.948 627 E CA -0.821 55.601 56.400 0.037 0.000 0.802 627 E CB 2.206 31.917 29.700 0.019 0.000 1.137 627 E HN 0.798 nan 8.360 nan 0.000 0.397 628 A N 3.200 126.054 122.820 0.056 0.000 2.524 628 A HA 0.060 4.381 4.320 0.003 0.000 0.250 628 A C -0.076 177.533 177.584 0.042 0.000 1.078 628 A CA 0.573 52.642 52.037 0.053 0.000 0.761 628 A CB 0.190 19.203 19.000 0.021 0.000 1.012 628 A HN 0.608 nan 8.150 nan 0.000 0.500 629 Q N 1.455 121.290 119.800 0.059 0.000 2.353 629 Q HA 0.572 4.913 4.340 0.003 0.000 0.275 629 Q C -0.841 175.076 176.000 -0.138 0.000 1.029 629 Q CA -0.574 55.198 55.803 -0.052 0.000 0.848 629 Q CB 1.951 30.661 28.738 -0.046 0.000 1.390 629 Q HN 1.142 nan 8.270 nan 0.000 0.401 630 A N 2.750 125.403 122.820 -0.278 0.000 2.401 630 A HA 0.624 4.946 4.320 0.003 0.000 0.259 630 A C -1.303 175.920 177.584 -0.602 0.000 1.103 630 A CA 0.209 52.076 52.037 -0.283 0.000 0.789 630 A CB -0.006 18.872 19.000 -0.203 0.000 1.035 630 A HN 0.515 nan 8.150 nan 0.000 0.491 631 F N 2.854 122.654 119.950 -0.250 0.000 2.579 631 F HA 0.405 4.933 4.527 0.002 0.000 0.325 631 F C -1.811 173.616 175.800 -0.621 0.000 1.162 631 F CA -1.579 56.088 58.000 -0.554 0.000 0.946 631 F CB 2.323 40.845 39.000 -0.796 0.000 1.211 631 F HN 0.413 nan 8.300 nan 0.000 0.447 632 P HA -0.266 nan 4.420 nan 0.000 0.220 632 P C 1.262 178.466 177.300 -0.159 0.000 1.155 632 P CA 1.907 64.871 63.100 -0.226 0.000 0.880 632 P CB -0.102 31.521 31.700 -0.128 0.000 0.790 633 F N -3.238 116.754 119.950 0.069 0.000 2.797 633 F HA 0.286 4.815 4.527 0.002 0.000 0.302 633 F C 0.655 176.464 175.800 0.015 0.000 1.130 633 F CA -0.483 57.545 58.000 0.046 0.000 1.387 633 F CB -1.142 37.907 39.000 0.082 0.000 1.107 633 F HN -0.210 nan 8.300 nan 0.000 0.577 634 L N 0.375 121.598 121.223 0.001 0.000 2.332 634 L HA 0.326 4.668 4.340 0.003 0.000 0.269 634 L C 0.201 177.149 176.870 0.129 0.000 1.016 634 L CA -1.308 53.597 54.840 0.108 0.000 0.809 634 L CB 0.804 42.891 42.059 0.046 0.000 1.280 634 L HN 0.002 nan 8.230 nan 0.000 0.447 635 H N 2.604 121.656 119.070 -0.029 0.000 2.929 635 H HA 0.053 4.611 4.556 0.003 0.000 0.317 635 H C -2.028 173.225 175.328 -0.125 0.000 1.031 635 H CA -1.521 54.417 56.048 -0.184 0.000 1.466 635 H CB 1.500 31.186 29.762 -0.128 0.000 1.482 635 H HN 0.258 nan 8.280 nan 0.000 0.561 636 P HA -0.105 nan 4.420 nan 0.000 0.218 636 P C 1.317 178.715 177.300 0.164 0.000 1.148 636 P CA 1.828 64.975 63.100 0.079 0.000 0.822 636 P CB 0.114 31.800 31.700 -0.024 0.000 0.784 637 G N -0.942 108.105 108.800 0.412 0.000 2.396 637 G HA2 -0.059 3.903 3.960 0.003 0.000 0.214 637 G HA3 -0.059 3.903 3.960 0.003 0.000 0.214 637 G C 0.336 175.132 174.900 -0.172 0.000 1.166 637 G CA 0.305 45.426 45.100 0.034 0.000 0.793 637 G HN 0.196 nan 8.290 nan 0.000 0.533 638 V N 1.305 121.044 119.914 -0.292 0.000 2.220 638 V HA 0.596 4.718 4.120 0.003 0.000 0.265 638 V C -0.261 175.779 176.094 -0.090 0.000 1.078 638 V CA -0.535 61.578 62.300 -0.311 0.000 0.872 638 V CB 0.471 32.074 31.823 -0.366 0.000 1.121 638 V HN 0.232 nan 8.190 nan 0.000 0.460 639 S N 2.669 118.350 115.700 -0.032 0.000 2.603 639 S HA 0.857 5.328 4.470 0.003 0.000 0.274 639 S C -0.352 174.352 174.600 0.173 0.000 1.168 639 S CA 0.205 58.481 58.200 0.127 0.000 0.963 639 S CB 1.664 64.955 63.200 0.152 0.000 1.078 639 S HN 0.955 nan 8.310 nan 0.000 0.477 640 G N 2.926 111.903 108.800 0.294 0.000 2.692 640 G HA2 0.658 4.620 3.960 0.003 0.000 0.291 640 G HA3 0.658 4.620 3.960 0.003 0.000 0.291 640 G C -1.373 173.785 174.900 0.428 0.000 1.423 640 G CA -1.022 44.258 45.100 0.301 0.000 0.843 640 G HN 0.912 nan 8.290 nan 0.000 0.486 641 R N -0.617 120.114 120.500 0.385 0.000 2.536 641 R HA 0.739 5.080 4.340 0.003 0.000 0.279 641 R C -1.060 175.365 176.300 0.208 0.000 1.001 641 R CA -0.708 55.630 56.100 0.396 0.000 1.027 641 R CB 1.852 32.382 30.300 0.383 0.000 1.096 641 R HN 0.208 nan 8.270 nan 0.000 0.502 642 V N 3.727 123.750 119.914 0.183 0.000 2.394 642 V HA 0.279 4.400 4.120 0.003 0.000 0.282 642 V C -0.236 175.883 176.094 0.041 0.000 1.031 642 V CA -0.791 61.574 62.300 0.109 0.000 0.881 642 V CB 1.403 33.338 31.823 0.188 0.000 0.982 642 V HN 0.544 nan 8.190 nan 0.000 0.451 643 L N 6.087 127.273 121.223 -0.063 0.000 2.319 643 L HA 0.571 4.913 4.340 0.003 0.000 0.281 643 L C -0.397 176.403 176.870 -0.117 0.000 1.005 643 L CA -0.359 54.438 54.840 -0.072 0.000 0.828 643 L CB 1.711 43.718 42.059 -0.087 0.000 1.227 643 L HN 0.354 nan 8.230 nan 0.000 0.415 644 V N 3.583 123.440 119.914 -0.095 0.000 2.417 644 V HA 0.354 4.476 4.120 0.003 0.000 0.291 644 V C 0.286 176.348 176.094 -0.054 0.000 1.024 644 V CA -0.631 61.583 62.300 -0.143 0.000 0.861 644 V CB 1.483 33.209 31.823 -0.163 0.000 0.985 644 V HN 0.787 nan 8.190 nan 0.000 0.436 645 E N 3.724 123.901 120.200 -0.039 0.000 2.360 645 E HA -0.260 4.092 4.350 0.003 0.000 0.238 645 E C 1.273 177.863 176.600 -0.016 0.000 1.186 645 E CA 1.043 57.436 56.400 -0.011 0.000 0.719 645 E CB -1.340 28.367 29.700 0.011 0.000 1.236 645 E HN 1.588 nan 8.360 nan 0.000 0.386 646 G N 0.170 108.951 108.800 -0.032 0.000 2.166 646 G HA2 -0.357 3.604 3.960 0.003 0.000 0.260 646 G HA3 -0.357 3.604 3.960 0.003 0.000 0.260 646 G C 0.034 174.926 174.900 -0.014 0.000 0.986 646 G CA 1.138 46.221 45.100 -0.027 0.000 0.683 646 G HN 0.568 nan 8.290 nan 0.000 0.527 647 E N -0.472 119.723 120.200 -0.009 0.000 2.248 647 E HA 0.624 4.975 4.350 0.003 0.000 0.267 647 E C -0.436 176.175 176.600 0.017 0.000 0.877 647 E CA -1.127 55.278 56.400 0.008 0.000 0.759 647 E CB 1.786 31.495 29.700 0.015 0.000 1.182 647 E HN 0.201 nan 8.360 nan 0.000 0.418 648 E N 2.177 122.400 120.200 0.039 0.000 2.292 648 E HA 0.036 4.388 4.350 0.003 0.000 0.265 648 E C 0.507 177.149 176.600 0.070 0.000 1.093 648 E CA -0.068 56.373 56.400 0.069 0.000 0.922 648 E CB 0.876 30.636 29.700 0.100 0.000 1.001 648 E HN 0.564 nan 8.360 nan 0.000 0.444 649 V N 1.046 120.997 119.914 0.062 0.000 3.556 649 V HA 0.562 4.683 4.120 0.003 0.000 0.287 649 V C 0.568 176.672 176.094 0.016 0.000 1.422 649 V CA 0.551 62.872 62.300 0.036 0.000 1.038 649 V CB 0.420 32.257 31.823 0.024 0.000 0.850 649 V HN 0.652 nan 8.190 nan 0.000 0.437 650 G N 0.904 109.744 108.800 0.066 0.000 2.441 650 G HA2 0.492 4.453 3.960 0.003 0.000 0.225 650 G HA3 0.492 4.453 3.960 0.003 0.000 0.225 650 G C -1.434 173.522 174.900 0.094 0.000 1.200 650 G CA -0.051 45.055 45.100 0.010 0.000 0.947 650 G HN 0.906 nan 8.290 nan 0.000 0.484 651 F N -1.332 118.626 119.950 0.014 0.000 2.664 651 F HA 0.945 5.473 4.527 0.002 0.000 0.317 651 F C -1.476 174.397 175.800 0.122 0.000 1.108 651 F CA -1.646 56.314 58.000 -0.067 0.000 0.957 651 F CB 1.928 40.537 39.000 -0.652 0.000 1.365 651 F HN 0.843 nan 8.300 nan 0.000 0.475 652 L N 1.098 122.613 121.223 0.487 0.000 2.472 652 L HA 0.994 5.335 4.340 0.003 0.000 0.260 652 L C -0.542 176.635 176.870 0.511 0.000 0.963 652 L CA 0.181 55.307 54.840 0.477 0.000 0.829 652 L CB 1.885 44.148 42.059 0.340 0.000 1.348 652 L HN 1.477 nan 8.230 nan 0.000 0.408 653 G N 1.976 111.087 108.800 0.519 0.000 2.327 653 G HA2 0.632 4.594 3.960 0.003 0.000 0.291 653 G HA3 0.632 4.594 3.960 0.003 0.000 0.291 653 G C -1.924 173.249 174.900 0.456 0.000 1.290 653 G CA -0.167 45.210 45.100 0.461 0.000 0.857 653 G HN 1.063 nan 8.290 nan 0.000 0.520 654 A N -0.720 122.301 122.820 0.336 0.000 2.303 654 A HA 0.754 5.075 4.320 0.003 0.000 0.317 654 A C -0.035 177.631 177.584 0.137 0.000 1.149 654 A CA -0.491 51.652 52.037 0.176 0.000 0.822 654 A CB 1.310 20.322 19.000 0.019 0.000 1.131 654 A HN 1.879 nan 8.150 nan 0.000 0.493 655 L N 2.418 123.693 121.223 0.087 0.000 2.499 655 L HA 0.070 4.412 4.340 0.003 0.000 0.273 655 L C 0.825 177.793 176.870 0.162 0.000 1.195 655 L CA 0.349 55.269 54.840 0.133 0.000 0.882 655 L CB -0.132 42.007 42.059 0.134 0.000 1.133 655 L HN 0.780 nan 8.230 nan 0.000 0.483 656 H N 6.944 126.067 119.070 0.089 0.000 3.094 656 H HA 0.011 4.569 4.556 0.004 0.000 0.320 656 H C -1.909 173.419 175.328 -0.001 0.000 1.000 656 H CA -1.025 55.041 56.048 0.028 0.000 1.413 656 H CB 0.933 30.699 29.762 0.007 0.000 1.405 656 H HN 0.547 nan 8.280 nan 0.000 0.586 657 P HA -0.178 nan 4.420 nan 0.000 0.214 657 P C 1.236 178.638 177.300 0.170 0.000 1.163 657 P CA 1.825 64.966 63.100 0.068 0.000 0.889 657 P CB 0.232 31.877 31.700 -0.093 0.000 0.790 658 E N -0.708 119.690 120.200 0.330 0.000 2.114 658 E HA -0.208 4.143 4.350 0.003 0.000 0.199 658 E C 2.009 178.615 176.600 0.009 0.000 1.008 658 E CA 1.149 57.614 56.400 0.109 0.000 0.810 658 E CB -0.657 29.039 29.700 -0.007 0.000 0.739 658 E HN 0.295 nan 8.360 nan 0.000 0.456 659 I N 0.897 121.473 120.570 0.010 0.000 2.202 659 I HA -0.243 3.929 4.170 0.003 0.000 0.242 659 I C 2.619 178.704 176.117 -0.053 0.000 1.091 659 I CA 0.870 62.121 61.300 -0.082 0.000 1.368 659 I CB -0.392 37.572 38.000 -0.060 0.000 1.058 659 I HN 0.074 nan 8.210 nan 0.000 0.410 660 A N 0.237 123.074 122.820 0.028 0.000 1.908 660 A HA -0.269 4.053 4.320 0.003 0.000 0.218 660 A C 2.212 179.803 177.584 0.011 0.000 1.181 660 A CA 1.708 53.764 52.037 0.033 0.000 0.627 660 A CB -0.523 18.515 19.000 0.062 0.000 0.818 660 A HN 0.351 nan 8.150 nan 0.000 0.445 661 Q N -0.588 119.219 119.800 0.013 0.000 2.079 661 Q HA -0.121 4.221 4.340 0.003 0.000 0.200 661 Q C 1.942 177.932 176.000 -0.017 0.000 0.974 661 Q CA 1.724 57.530 55.803 0.005 0.000 0.840 661 Q CB -0.342 28.403 28.738 0.011 0.000 0.898 661 Q HN 0.848 nan 8.270 nan 0.000 0.430 662 E N -0.330 119.844 120.200 -0.043 0.000 2.268 662 E HA -0.111 4.241 4.350 0.003 0.000 0.195 662 E C 0.787 177.349 176.600 -0.063 0.000 0.995 662 E CA 0.518 56.880 56.400 -0.062 0.000 0.836 662 E CB 0.117 29.757 29.700 -0.101 0.000 0.763 662 E HN 0.315 nan 8.360 nan 0.000 0.491 663 L N 0.297 121.483 121.223 -0.061 0.000 2.640 663 L HA 0.183 4.525 4.340 0.003 0.000 0.230 663 L C -0.150 176.712 176.870 -0.014 0.000 1.123 663 L CA 0.018 54.834 54.840 -0.041 0.000 0.900 663 L CB 0.136 42.169 42.059 -0.043 0.000 1.146 663 L HN 0.041 nan 8.230 nan 0.000 0.484 664 E N 0.889 121.084 120.200 -0.009 0.000 2.320 664 E HA -0.196 4.156 4.350 0.003 0.000 0.234 664 E C -0.484 176.120 176.600 0.007 0.000 1.183 664 E CA 0.268 56.669 56.400 0.003 0.000 0.713 664 E CB -1.585 28.117 29.700 0.003 0.000 1.226 664 E HN 0.422 nan 8.360 nan 0.000 0.382 665 L N -0.278 120.953 121.223 0.012 0.000 2.354 665 L HA 0.550 4.891 4.340 0.003 0.000 0.269 665 L C -2.031 174.874 176.870 0.060 0.000 1.005 665 L CA -2.226 52.623 54.840 0.014 0.000 0.819 665 L CB 1.495 43.550 42.059 -0.006 0.000 1.311 665 L HN -0.150 nan 8.230 nan 0.000 0.423 666 P HA 0.171 nan 4.420 nan 0.000 0.282 666 P C -2.585 174.817 177.300 0.169 0.000 1.286 666 P CA -0.936 62.269 63.100 0.175 0.000 0.777 666 P CB -0.283 31.611 31.700 0.325 0.000 1.184 667 P HA 0.046 nan 4.420 nan 0.000 0.269 667 P C -1.023 176.344 177.300 0.113 0.000 1.209 667 P CA 0.511 63.658 63.100 0.079 0.000 0.776 667 P CB 0.408 32.127 31.700 0.032 0.000 0.876 668 V N 3.579 123.499 119.914 0.010 0.000 2.709 668 V HA 0.303 4.424 4.120 0.003 0.000 0.308 668 V C -0.049 176.004 176.094 -0.069 0.000 1.062 668 V CA -0.626 61.720 62.300 0.076 0.000 0.901 668 V CB 1.799 33.706 31.823 0.141 0.000 1.003 668 V HN 0.621 nan 8.190 nan 0.000 0.425 669 H N 4.906 124.113 119.070 0.229 0.000 2.472 669 H HA 0.847 5.405 4.556 0.002 0.000 0.338 669 H C -0.726 174.752 175.328 0.250 0.000 1.133 669 H CA -0.346 55.839 56.048 0.229 0.000 1.216 669 H CB 2.192 32.079 29.762 0.209 0.000 1.497 669 H HN 0.558 nan 8.280 nan 0.000 0.500 670 L N 0.201 121.664 121.223 0.400 0.000 2.801 670 L HA 0.684 5.025 4.340 0.003 0.000 0.264 670 L C -1.155 175.984 176.870 0.448 0.000 1.086 670 L CA -1.288 53.767 54.840 0.358 0.000 0.920 670 L CB 1.154 43.339 42.059 0.209 0.000 1.529 670 L HN 0.460 nan 8.230 nan 0.000 0.399 671 F N -2.397 117.615 119.950 0.103 0.000 2.678 671 F HA 0.879 5.407 4.527 0.003 0.000 0.308 671 F C -1.176 174.387 175.800 -0.394 0.000 1.118 671 F CA -0.621 57.283 58.000 -0.161 0.000 0.959 671 F CB 1.808 40.777 39.000 -0.053 0.000 1.305 671 F HN 0.778 nan 8.300 nan 0.000 0.443 672 E N 3.048 122.701 120.200 -0.912 0.000 2.291 672 E HA 0.682 5.034 4.350 0.003 0.000 0.276 672 E C -1.989 174.309 176.600 -0.502 0.000 0.896 672 E CA -0.679 55.301 56.400 -0.700 0.000 0.774 672 E CB 2.113 31.490 29.700 -0.538 0.000 1.227 672 E HN 0.806 nan 8.360 nan 0.000 0.413 673 L N 2.165 123.225 121.223 -0.272 0.000 2.309 673 L HA 0.672 5.013 4.340 0.003 0.000 0.261 673 L C -0.127 176.510 176.870 -0.388 0.000 1.021 673 L CA -1.261 53.455 54.840 -0.207 0.000 0.823 673 L CB 1.846 43.919 42.059 0.022 0.000 1.366 673 L HN 0.395 nan 8.230 nan 0.000 0.423 674 R N 1.002 121.311 120.500 -0.319 0.000 2.368 674 R HA 0.730 5.072 4.340 0.003 0.000 0.302 674 R C -1.383 174.855 176.300 -0.103 0.000 1.002 674 R CA -0.451 55.456 56.100 -0.320 0.000 0.929 674 R CB 1.046 31.226 30.300 -0.200 0.000 1.073 674 R HN 0.577 nan 8.270 nan 0.000 0.464 675 L N 4.770 125.963 121.223 -0.050 0.000 2.322 675 L HA 0.612 4.953 4.340 0.003 0.000 0.269 675 L C -1.869 174.999 176.870 -0.003 0.000 1.012 675 L CA -2.415 52.413 54.840 -0.019 0.000 0.815 675 L CB 1.901 43.944 42.059 -0.025 0.000 1.295 675 L HN 0.627 nan 8.230 nan 0.000 0.438 676 P HA 0.217 nan 4.420 nan 0.000 0.278 676 P C -0.685 176.621 177.300 0.011 0.000 1.238 676 P CA -0.404 62.694 63.100 -0.003 0.000 0.794 676 P CB 0.979 32.678 31.700 -0.001 0.000 0.955 677 L N 3.613 124.847 121.223 0.018 0.000 2.473 677 L HA 0.186 4.528 4.340 0.003 0.000 0.268 677 L C -1.722 175.179 176.870 0.052 0.000 1.215 677 L CA -1.701 53.172 54.840 0.056 0.000 0.823 677 L CB -0.650 41.466 42.059 0.095 0.000 1.099 677 L HN 0.266 nan 8.230 nan 0.000 0.483 678 P HA -0.017 nan 4.420 nan 0.000 0.268 678 P C -1.209 176.120 177.300 0.049 0.000 1.208 678 P CA 0.116 63.245 63.100 0.049 0.000 0.777 678 P CB 0.434 32.162 31.700 0.046 0.000 0.875 679 D N 1.531 121.953 120.400 0.037 0.000 2.278 679 D HA 0.250 4.892 4.640 0.003 0.000 0.245 679 D C -0.443 175.877 176.300 0.033 0.000 1.052 679 D CA -0.220 53.800 54.000 0.034 0.000 0.834 679 D CB 1.222 42.038 40.800 0.027 0.000 1.194 679 D HN 0.179 nan 8.370 nan 0.000 0.481 680 K N 3.610 124.032 120.400 0.036 0.000 2.559 680 K HA 0.349 4.671 4.320 0.003 0.000 0.249 680 K C -2.412 174.207 176.600 0.033 0.000 0.958 680 K CA -1.380 54.927 56.287 0.034 0.000 0.901 680 K CB 1.331 33.853 32.500 0.038 0.000 1.124 680 K HN 0.179 nan 8.250 nan 0.000 0.437 681 P HA -0.005 nan 4.420 nan 0.000 0.267 681 P C -0.407 176.917 177.300 0.040 0.000 1.205 681 P CA -0.601 62.519 63.100 0.033 0.000 0.765 681 P CB 0.587 32.305 31.700 0.030 0.000 0.828 682 L N 2.617 123.868 121.223 0.046 0.000 2.660 682 L HA 0.239 4.580 4.340 0.003 0.000 0.272 682 L C 0.009 176.925 176.870 0.077 0.000 1.194 682 L CA 0.343 55.222 54.840 0.064 0.000 0.945 682 L CB -0.524 41.576 42.059 0.070 0.000 1.212 682 L HN 0.524 nan 8.230 nan 0.000 0.490 683 A N 6.314 129.180 122.820 0.077 0.000 2.786 683 A HA 0.321 4.642 4.320 0.003 0.000 0.346 683 A C -0.402 177.235 177.584 0.088 0.000 1.265 683 A CA -0.608 51.473 52.037 0.073 0.000 0.858 683 A CB -0.503 18.517 19.000 0.033 0.000 1.118 683 A HN 0.685 nan 8.150 nan 0.000 0.482 684 F N 2.106 122.061 119.950 0.008 0.000 2.623 684 F HA 0.138 4.666 4.527 0.003 0.000 0.383 684 F C 0.198 176.003 175.800 0.008 0.000 1.077 684 F CA 0.946 58.951 58.000 0.008 0.000 1.268 684 F CB 0.672 39.676 39.000 0.007 0.000 1.053 684 F HN 0.503 nan 8.300 nan 0.000 0.571 685 Q N 5.503 124.769 119.800 -0.889 0.000 2.381 685 Q HA 0.127 4.469 4.340 0.003 0.000 0.263 685 Q C -0.941 174.493 176.000 -0.942 0.000 1.030 685 Q CA -0.644 54.760 55.803 -0.665 0.000 0.772 685 Q CB 1.212 29.752 28.738 -0.330 0.000 1.232 685 Q HN 0.578 nan 8.270 nan 0.000 0.476 686 D N 5.043 125.010 120.400 -0.722 0.000 2.389 686 D HA 0.066 4.708 4.640 0.003 0.000 0.263 686 D C -1.766 174.412 176.300 -0.203 0.000 1.255 686 D CA -0.709 53.064 54.000 -0.377 0.000 0.914 686 D CB 0.779 41.550 40.800 -0.048 0.000 1.116 686 D HN 0.231 nan 8.370 nan 0.000 0.502 687 P HA 0.003 nan 4.420 nan 0.000 0.271 687 P C -0.123 177.163 177.300 -0.022 0.000 1.220 687 P CA -0.395 62.659 63.100 -0.076 0.000 0.768 687 P CB 0.880 32.552 31.700 -0.047 0.000 0.848 688 S N 2.689 118.388 115.700 -0.002 0.000 2.558 688 S HA 0.007 4.479 4.470 0.003 0.000 0.288 688 S C 1.254 175.868 174.600 0.022 0.000 1.318 688 S CA -0.407 57.824 58.200 0.052 0.000 1.056 688 S CB 0.049 63.306 63.200 0.094 0.000 0.853 688 S HN 0.265 nan 8.310 nan 0.000 0.505 689 R N 2.546 123.020 120.500 -0.044 0.000 2.334 689 R HA 0.162 4.504 4.340 0.003 0.000 0.216 689 R C -0.117 176.044 176.300 -0.232 0.000 0.905 689 R CA 0.204 56.215 56.100 -0.149 0.000 1.064 689 R CB -0.795 29.380 30.300 -0.209 0.000 1.046 689 R HN 0.670 nan 8.270 nan 0.000 0.508 690 H N 1.322 120.405 119.070 0.021 0.000 2.488 690 H HA 0.241 4.798 4.556 0.002 0.000 0.347 690 H C -1.967 173.386 175.328 0.042 0.000 1.174 690 H CA -1.648 54.414 56.048 0.024 0.000 1.307 690 H CB 0.241 30.012 29.762 0.015 0.000 1.517 690 H HN -0.082 nan 8.280 nan 0.000 0.554 691 P HA 0.101 nan 4.420 nan 0.000 0.269 691 P C -0.808 176.602 177.300 0.184 0.000 1.209 691 P CA -0.197 62.993 63.100 0.150 0.000 0.776 691 P CB 0.749 32.520 31.700 0.117 0.000 0.876 692 A N 2.412 125.378 122.820 0.243 0.000 2.269 692 A HA 0.659 4.980 4.320 0.003 0.000 0.319 692 A C -0.038 177.758 177.584 0.354 0.000 1.110 692 A CA -0.551 51.621 52.037 0.225 0.000 0.847 692 A CB 0.556 19.613 19.000 0.094 0.000 1.161 692 A HN 0.604 nan 8.150 nan 0.000 0.497 693 A N 0.576 123.553 122.820 0.260 0.000 2.274 693 A HA 0.684 5.005 4.320 0.003 0.000 0.309 693 A C -1.083 176.690 177.584 0.315 0.000 1.226 693 A CA -0.277 51.967 52.037 0.345 0.000 0.853 693 A CB -0.138 19.028 19.000 0.278 0.000 1.146 693 A HN 0.560 nan 8.150 nan 0.000 0.518 694 F N 1.254 121.279 119.950 0.125 0.000 2.436 694 F HA 0.757 5.285 4.527 0.002 0.000 0.340 694 F C 0.546 176.425 175.800 0.130 0.000 1.113 694 F CA -0.441 57.622 58.000 0.104 0.000 1.022 694 F CB 2.006 41.023 39.000 0.028 0.000 1.128 694 F HN 0.650 nan 8.300 nan 0.000 0.466 695 R N 1.439 122.118 120.500 0.298 0.000 2.535 695 R HA 0.441 4.782 4.340 0.003 0.000 0.274 695 R C -2.055 174.401 176.300 0.261 0.000 1.090 695 R CA -0.587 55.668 56.100 0.259 0.000 0.930 695 R CB 1.555 32.009 30.300 0.257 0.000 1.223 695 R HN 0.552 nan 8.270 nan 0.000 0.441 696 D N 2.854 123.406 120.400 0.254 0.000 2.272 696 D HA 0.657 5.298 4.640 0.003 0.000 0.247 696 D C -1.124 175.339 176.300 0.272 0.000 0.990 696 D CA -0.253 53.931 54.000 0.307 0.000 0.931 696 D CB 1.724 42.716 40.800 0.320 0.000 1.195 696 D HN 0.326 nan 8.370 nan 0.000 0.477 697 L N -1.660 119.748 121.223 0.310 0.000 2.643 697 L HA 0.860 5.201 4.340 0.003 0.000 0.256 697 L C -1.564 175.451 176.870 0.241 0.000 0.931 697 L CA -1.102 53.880 54.840 0.238 0.000 0.895 697 L CB 1.096 43.278 42.059 0.205 0.000 1.430 697 L HN 0.362 nan 8.230 nan 0.000 0.419 698 A N 1.636 124.550 122.820 0.156 0.000 2.311 698 A HA 0.970 5.292 4.320 0.003 0.000 0.334 698 A C -0.865 176.792 177.584 0.123 0.000 1.139 698 A CA -0.770 51.323 52.037 0.094 0.000 0.830 698 A CB 1.933 20.946 19.000 0.022 0.000 1.234 698 A HN 0.964 nan 8.150 nan 0.000 0.483 699 V N 2.094 122.067 119.914 0.098 0.000 2.409 699 V HA 0.272 4.393 4.120 0.003 0.000 0.290 699 V C -0.355 175.763 176.094 0.040 0.000 1.017 699 V CA -0.561 61.795 62.300 0.093 0.000 0.841 699 V CB 1.352 33.239 31.823 0.107 0.000 1.003 699 V HN 0.652 nan 8.190 nan 0.000 0.426 700 V N 6.092 126.061 119.914 0.091 0.000 2.508 700 V HA 0.405 4.526 4.120 0.003 0.000 0.281 700 V C 0.100 176.303 176.094 0.183 0.000 1.041 700 V CA 0.017 62.389 62.300 0.120 0.000 1.016 700 V CB 1.256 33.168 31.823 0.147 0.000 0.984 700 V HN 0.601 nan 8.190 nan 0.000 0.478 701 V N 6.938 126.919 119.914 0.112 0.000 2.925 701 V HA 0.457 4.578 4.120 0.003 0.000 0.311 701 V C -2.422 173.625 176.094 -0.078 0.000 1.104 701 V CA -1.935 60.424 62.300 0.099 0.000 0.954 701 V CB 2.796 34.521 31.823 -0.164 0.000 1.022 701 V HN 0.685 nan 8.190 nan 0.000 0.427 702 P HA 0.076 nan 4.420 nan 0.000 0.268 702 P C 0.657 177.838 177.300 -0.199 0.000 1.204 702 P CA 0.288 63.093 63.100 -0.491 0.000 0.768 702 P CB 1.070 32.576 31.700 -0.324 0.000 0.842 703 A N 7.053 129.763 122.820 -0.182 0.000 1.940 703 A HA -0.188 4.134 4.320 0.003 0.000 0.221 703 A C -0.139 177.413 177.584 -0.053 0.000 1.190 703 A CA 2.105 54.088 52.037 -0.089 0.000 0.647 703 A CB -2.519 16.440 19.000 -0.068 0.000 0.821 703 A HN 0.537 nan 8.150 nan 0.000 0.457 704 P HA -0.044 nan 4.420 nan 0.000 0.220 704 P C 0.380 177.682 177.300 0.003 0.000 1.148 704 P CA 0.969 64.057 63.100 -0.019 0.000 0.803 704 P CB -0.620 31.068 31.700 -0.020 0.000 0.782 705 T N 4.264 118.828 114.554 0.016 0.000 2.908 705 T HA 0.119 4.470 4.350 0.003 0.000 0.301 705 T C -2.082 172.632 174.700 0.024 0.000 1.019 705 T CA -0.390 61.739 62.100 0.049 0.000 1.152 705 T CB -0.006 68.925 68.868 0.105 0.000 0.966 705 T HN 0.207 nan 8.240 nan 0.000 0.540 706 P HA 0.090 nan 4.420 nan 0.000 0.280 706 P C 0.284 177.605 177.300 0.035 0.000 1.244 706 P CA -0.591 62.535 63.100 0.045 0.000 0.784 706 P CB 0.714 32.436 31.700 0.036 0.000 0.913 707 Y N 4.483 124.777 120.300 -0.012 0.000 2.181 707 Y HA -0.226 4.327 4.550 0.004 0.000 0.284 707 Y C 2.341 178.252 175.900 0.018 0.000 1.179 707 Y CA 2.650 60.743 58.100 -0.011 0.000 1.179 707 Y CB -1.087 37.372 38.460 -0.002 0.000 0.973 707 Y HN 0.480 nan 8.280 nan 0.000 0.519 708 G N -0.402 108.292 108.800 -0.177 0.000 2.432 708 G HA2 -0.302 3.660 3.960 0.003 0.000 0.219 708 G HA3 -0.302 3.660 3.960 0.003 0.000 0.219 708 G C 1.568 176.330 174.900 -0.232 0.000 1.135 708 G CA 0.854 45.807 45.100 -0.244 0.000 0.767 708 G HN 0.560 nan 8.290 nan 0.000 0.550 709 E N -0.117 119.994 120.200 -0.148 0.000 2.072 709 E HA -0.080 4.272 4.350 0.003 0.000 0.191 709 E C 2.645 179.166 176.600 -0.132 0.000 0.985 709 E CA 0.890 57.237 56.400 -0.088 0.000 0.801 709 E CB 0.008 29.707 29.700 -0.003 0.000 0.750 709 E HN 0.280 nan 8.360 nan 0.000 0.452 710 V N 1.650 121.424 119.914 -0.234 0.000 2.244 710 V HA -0.233 3.889 4.120 0.003 0.000 0.244 710 V C 2.518 178.448 176.094 -0.274 0.000 1.042 710 V CA 1.965 64.095 62.300 -0.283 0.000 1.006 710 V CB -0.700 30.951 31.823 -0.287 0.000 0.641 710 V HN 0.323 nan 8.190 nan 0.000 0.446 711 E N 0.593 120.552 120.200 -0.402 0.000 2.108 711 E HA -0.325 4.026 4.350 0.003 0.000 0.203 711 E C 2.227 178.653 176.600 -0.290 0.000 1.022 711 E CA 2.151 58.304 56.400 -0.412 0.000 0.823 711 E CB -0.323 28.999 29.700 -0.630 0.000 0.744 711 E HN 0.538 nan 8.360 nan 0.000 0.456 712 A N 1.151 123.836 122.820 -0.225 0.000 1.902 712 A HA -0.129 4.193 4.320 0.003 0.000 0.217 712 A C 2.463 179.975 177.584 -0.120 0.000 1.181 712 A CA 1.308 53.258 52.037 -0.145 0.000 0.623 712 A CB -0.729 18.208 19.000 -0.105 0.000 0.818 712 A HN 0.376 nan 8.150 nan 0.000 0.443 713 L N -0.054 121.106 121.223 -0.105 0.000 2.056 713 L HA -0.137 4.204 4.340 0.003 0.000 0.207 713 L C 2.425 179.237 176.870 -0.097 0.000 1.078 713 L CA 1.397 56.203 54.840 -0.057 0.000 0.749 713 L CB -0.225 41.846 42.059 0.020 0.000 0.901 713 L HN 0.268 nan 8.230 nan 0.000 0.433 714 V N 0.097 119.899 119.914 -0.186 0.000 2.295 714 V HA -0.323 3.799 4.120 0.003 0.000 0.246 714 V C 2.647 178.625 176.094 -0.193 0.000 1.049 714 V CA 2.296 64.451 62.300 -0.242 0.000 1.024 714 V CB -0.881 30.625 31.823 -0.529 0.000 0.648 714 V HN 0.542 nan 8.190 nan 0.000 0.447 715 R N -0.047 120.330 120.500 -0.204 0.000 2.081 715 R HA -0.180 4.161 4.340 0.003 0.000 0.235 715 R C 2.335 178.575 176.300 -0.100 0.000 1.131 715 R CA 1.728 57.735 56.100 -0.154 0.000 0.960 715 R CB -0.278 29.937 30.300 -0.141 0.000 0.856 715 R HN 0.538 nan 8.270 nan 0.000 0.436 716 E N 0.420 120.569 120.200 -0.085 0.000 2.013 716 E HA -0.221 4.131 4.350 0.003 0.000 0.202 716 E C 1.855 178.429 176.600 -0.044 0.000 1.018 716 E CA 1.755 58.120 56.400 -0.058 0.000 0.834 716 E CB -0.357 29.314 29.700 -0.048 0.000 0.770 716 E HN 0.516 nan 8.360 nan 0.000 0.459 717 A N 0.986 123.786 122.820 -0.034 0.000 2.121 717 A HA 0.023 4.345 4.320 0.003 0.000 0.218 717 A C 2.260 179.850 177.584 0.011 0.000 1.154 717 A CA 1.398 53.427 52.037 -0.014 0.000 0.679 717 A CB -0.375 18.622 19.000 -0.006 0.000 0.795 717 A HN 0.287 nan 8.150 nan 0.000 0.458 718 A N -0.967 121.858 122.820 0.009 0.000 2.139 718 A HA 0.337 4.658 4.320 0.003 0.000 0.221 718 A C 1.653 179.347 177.584 0.184 0.000 1.159 718 A CA 1.693 53.783 52.037 0.090 0.000 0.662 718 A CB -1.127 17.850 19.000 -0.038 0.000 0.796 718 A HN 2.198 nan 8.150 nan 0.000 0.463 719 G N -2.035 106.798 108.800 0.054 0.000 2.661 719 G HA2 -0.047 3.914 3.960 0.003 0.000 0.685 719 G HA3 -0.047 3.914 3.960 0.003 0.000 0.685 719 G C -1.407 173.465 174.900 -0.046 0.000 1.298 719 G CA -0.173 44.929 45.100 0.005 0.000 0.855 719 G HN 0.286 nan 8.290 nan 0.000 0.560 720 P HA 0.120 nan 4.420 nan 0.000 0.245 720 P C 0.215 177.514 177.300 -0.002 0.000 1.212 720 P CA 0.954 63.950 63.100 -0.174 0.000 0.774 720 P CB 0.087 31.607 31.700 -0.299 0.000 0.999 721 Y N -0.403 119.951 120.300 0.089 0.000 2.658 721 Y HA 0.312 4.863 4.550 0.002 0.000 0.276 721 Y C 0.806 176.760 175.900 0.089 0.000 1.167 721 Y CA -1.935 56.237 58.100 0.120 0.000 1.230 721 Y CB -0.549 38.037 38.460 0.209 0.000 1.144 721 Y HN -0.123 nan 8.280 nan 0.000 0.529 722 L N 1.212 122.441 121.223 0.010 0.000 2.315 722 L HA 0.199 4.540 4.340 0.003 0.000 0.283 722 L C 1.214 177.926 176.870 -0.263 0.000 1.089 722 L CA 0.473 55.060 54.840 -0.422 0.000 0.833 722 L CB 0.609 42.437 42.059 -0.385 0.000 1.170 722 L HN 0.278 nan 8.230 nan 0.000 0.442 723 E N 2.070 122.089 120.200 -0.301 0.000 2.057 723 E HA 0.082 4.434 4.350 0.003 0.000 0.190 723 E C -0.301 176.184 176.600 -0.192 0.000 0.969 723 E CA 0.468 56.754 56.400 -0.190 0.000 0.812 723 E CB 0.404 30.003 29.700 -0.168 0.000 0.777 723 E HN 0.704 nan 8.360 nan 0.000 0.455 724 S N -0.149 115.402 115.700 -0.249 0.000 2.540 724 S HA 0.504 4.975 4.470 0.003 0.000 0.275 724 S C -1.157 173.342 174.600 -0.168 0.000 1.123 724 S CA -0.732 57.363 58.200 -0.174 0.000 0.907 724 S CB 2.051 65.162 63.200 -0.148 0.000 1.081 724 S HN 0.266 nan 8.310 nan 0.000 0.476 725 L N 2.622 123.803 121.223 -0.070 0.000 2.471 725 L HA 0.760 5.102 4.340 0.003 0.000 0.263 725 L C -0.911 176.055 176.870 0.161 0.000 0.985 725 L CA -0.249 54.591 54.840 0.000 0.000 0.868 725 L CB 0.812 42.813 42.059 -0.096 0.000 1.203 725 L HN 0.871 nan 8.230 nan 0.000 0.429 726 A N 4.099 127.096 122.820 0.294 0.000 2.413 726 A HA 0.730 5.052 4.320 0.003 0.000 0.307 726 A C -1.629 176.226 177.584 0.453 0.000 1.087 726 A CA -0.579 51.657 52.037 0.331 0.000 0.750 726 A CB 1.983 21.133 19.000 0.250 0.000 1.296 726 A HN 0.589 nan 8.150 nan 0.000 0.423 727 L N 2.707 124.088 121.223 0.264 0.000 2.265 727 L HA 0.617 4.959 4.340 0.003 0.000 0.289 727 L C -0.221 176.635 176.870 -0.024 0.000 1.033 727 L CA -0.245 54.571 54.840 -0.040 0.000 0.814 727 L CB 0.333 42.211 42.059 -0.301 0.000 1.203 727 L HN 0.695 nan 8.230 nan 0.000 0.423 728 F N 1.087 120.866 119.950 -0.284 0.000 2.678 728 F HA 0.577 5.105 4.527 0.002 0.000 0.305 728 F C -0.234 175.429 175.800 -0.228 0.000 1.090 728 F CA -0.895 56.962 58.000 -0.238 0.000 1.272 728 F CB -0.178 38.630 39.000 -0.320 0.000 1.060 728 F HN 0.454 nan 8.300 nan 0.000 0.576 729 D N 0.605 120.614 120.400 -0.653 0.000 2.787 729 D HA 0.445 5.087 4.640 0.003 0.000 0.215 729 D C -2.288 173.750 176.300 -0.437 0.000 1.246 729 D CA -0.327 53.370 54.000 -0.505 0.000 0.798 729 D CB 1.940 42.405 40.800 -0.559 0.000 1.649 729 D HN 0.091 nan 8.370 nan 0.000 0.507 730 L N 4.320 125.380 121.223 -0.272 0.000 2.406 730 L HA 0.759 5.101 4.340 0.003 0.000 0.272 730 L C -2.217 174.631 176.870 -0.037 0.000 0.980 730 L CA -0.644 54.078 54.840 -0.195 0.000 0.831 730 L CB 1.303 43.231 42.059 -0.218 0.000 1.253 730 L HN 0.491 nan 8.230 nan 0.000 0.406 731 Y N 3.732 123.932 120.300 -0.167 0.000 2.534 731 Y HA 0.681 5.233 4.550 0.003 0.000 0.345 731 Y C -1.570 174.285 175.900 -0.075 0.000 1.031 731 Y CA -0.681 57.350 58.100 -0.114 0.000 1.022 731 Y CB 1.870 40.264 38.460 -0.110 0.000 1.292 731 Y HN 0.743 nan 8.280 nan 0.000 0.459 732 Q N 4.153 123.487 119.800 -0.776 0.000 2.275 732 Q HA 0.765 5.107 4.340 0.003 0.000 0.258 732 Q C -0.949 174.585 176.000 -0.776 0.000 0.960 732 Q CA -0.416 54.987 55.803 -0.667 0.000 0.801 732 Q CB 2.191 30.765 28.738 -0.273 0.000 1.302 732 Q HN 1.144 nan 8.270 nan 0.000 0.433 733 G N 2.083 110.461 108.800 -0.703 0.000 2.491 733 G HA2 0.243 4.205 3.960 0.003 0.000 0.183 733 G HA3 0.243 4.205 3.960 0.003 0.000 0.183 733 G C -3.149 171.637 174.900 -0.189 0.000 1.221 733 G CA -0.270 44.615 45.100 -0.357 0.000 0.996 733 G HN 0.560 nan 8.290 nan 0.000 0.474 734 P HA 0.327 nan 4.420 nan 0.000 0.279 734 P C -2.336 175.065 177.300 0.167 0.000 1.239 734 P CA -1.006 62.134 63.100 0.066 0.000 0.789 734 P CB 1.575 33.321 31.700 0.076 0.000 0.933 735 P HA 0.266 nan 4.420 nan 0.000 0.236 735 P C -0.203 177.100 177.300 0.005 0.000 1.749 735 P CA -0.113 63.011 63.100 0.041 0.000 0.994 735 P CB 0.196 31.920 31.700 0.041 0.000 1.599 736 L N 0.842 122.050 121.223 -0.025 0.000 2.399 736 L HA 0.398 4.740 4.340 0.003 0.000 0.266 736 L C -1.875 174.946 176.870 -0.082 0.000 1.114 736 L CA -2.462 52.343 54.840 -0.058 0.000 0.804 736 L CB 0.107 42.115 42.059 -0.086 0.000 1.146 736 L HN -0.199 nan 8.230 nan 0.000 0.451 737 P HA -0.017 nan 4.420 nan 0.000 0.257 737 P C -0.671 176.571 177.300 -0.097 0.000 1.189 737 P CA 0.170 63.120 63.100 -0.250 0.000 0.780 737 P CB 0.145 31.448 31.700 -0.663 0.000 0.772 738 E N 2.435 122.611 120.200 -0.040 0.000 2.765 738 E HA 0.109 4.460 4.350 0.003 0.000 0.256 738 E C 1.193 177.872 176.600 0.131 0.000 0.935 738 E CA 1.189 57.604 56.400 0.024 0.000 0.954 738 E CB -0.227 29.475 29.700 0.004 0.000 0.908 738 E HN 0.742 nan 8.360 nan 0.000 0.500 739 G N 2.851 111.726 108.800 0.124 0.000 2.140 739 G HA2 -0.216 3.746 3.960 0.003 0.000 0.211 739 G HA3 -0.216 3.746 3.960 0.003 0.000 0.211 739 G C -0.589 174.371 174.900 0.101 0.000 1.013 739 G CA -0.198 44.967 45.100 0.108 0.000 0.705 739 G HN 0.620 nan 8.290 nan 0.000 0.508 740 H N -0.272 118.768 119.070 -0.050 0.000 2.865 740 H HA 0.777 5.334 4.556 0.002 0.000 0.372 740 H C 0.201 175.473 175.328 -0.094 0.000 1.173 740 H CA -0.138 55.884 56.048 -0.043 0.000 1.147 740 H CB 1.710 31.456 29.762 -0.025 0.000 1.805 740 H HN 0.507 nan 8.280 nan 0.000 0.553 741 K N -0.446 119.958 120.400 0.008 0.000 2.527 741 K HA 0.699 5.020 4.320 0.003 0.000 0.260 741 K C -1.255 175.317 176.600 -0.047 0.000 0.937 741 K CA -1.042 55.201 56.287 -0.074 0.000 0.826 741 K CB 2.227 34.669 32.500 -0.096 0.000 1.359 741 K HN 0.565 nan 8.250 nan 0.000 0.434 742 S N 1.876 117.536 115.700 -0.066 0.000 2.593 742 S HA 0.658 5.130 4.470 0.003 0.000 0.297 742 S C -0.440 174.078 174.600 -0.136 0.000 1.112 742 S CA -0.977 57.190 58.200 -0.056 0.000 1.043 742 S CB 0.727 63.921 63.200 -0.010 0.000 1.054 742 S HN 0.550 nan 8.310 nan 0.000 0.516 743 L N 1.824 122.931 121.223 -0.192 0.000 2.377 743 L HA 0.608 4.949 4.340 0.003 0.000 0.270 743 L C 0.108 176.638 176.870 -0.567 0.000 0.991 743 L CA -0.897 53.698 54.840 -0.408 0.000 0.851 743 L CB 1.544 43.348 42.059 -0.426 0.000 1.218 743 L HN 0.940 nan 8.230 nan 0.000 0.420 744 A N 3.496 125.881 122.820 -0.726 0.000 2.451 744 A HA 0.555 4.876 4.320 0.003 0.000 0.266 744 A C -0.873 176.202 177.584 -0.848 0.000 1.119 744 A CA 0.323 51.764 52.037 -0.993 0.000 0.786 744 A CB -0.295 17.551 19.000 -1.923 0.000 1.061 744 A HN 0.453 nan 8.150 nan 0.000 0.503 745 F N 1.117 121.089 119.950 0.036 0.000 2.467 745 F HA 0.323 4.853 4.527 0.006 0.000 0.336 745 F C 0.495 176.579 175.800 0.473 0.000 1.123 745 F CA -0.223 57.946 58.000 0.281 0.000 0.964 745 F CB 1.729 40.818 39.000 0.148 0.000 1.136 745 F HN 0.641 nan 8.300 nan 0.000 0.447 746 H N 4.023 123.440 119.070 0.579 0.000 2.552 746 H HA 0.541 5.098 4.556 0.003 0.000 0.311 746 H C -0.856 174.538 175.328 0.110 0.000 1.071 746 H CA -0.663 55.484 56.048 0.165 0.000 1.307 746 H CB 1.042 30.771 29.762 -0.054 0.000 1.416 746 H HN 0.375 nan 8.280 nan 0.000 0.464 747 L N 3.503 124.834 121.223 0.179 0.000 2.319 747 L HA 0.573 4.914 4.340 0.003 0.000 0.267 747 L C -0.304 176.466 176.870 -0.167 0.000 1.011 747 L CA -0.558 54.274 54.840 -0.015 0.000 0.818 747 L CB 1.819 43.906 42.059 0.046 0.000 1.316 747 L HN 0.558 nan 8.230 nan 0.000 0.432 748 R N 0.671 120.940 120.500 -0.386 0.000 2.584 748 R HA 0.676 5.017 4.340 0.003 0.000 0.276 748 R C -1.728 174.255 176.300 -0.529 0.000 1.046 748 R CA -0.371 55.463 56.100 -0.444 0.000 0.906 748 R CB 1.760 31.739 30.300 -0.537 0.000 1.215 748 R HN 0.288 nan 8.270 nan 0.000 0.449 749 F N 0.815 120.702 119.950 -0.105 0.000 2.579 749 F HA 0.691 5.220 4.527 0.002 0.000 0.324 749 F C 0.054 175.848 175.800 -0.009 0.000 1.058 749 F CA -0.774 57.222 58.000 -0.007 0.000 0.944 749 F CB 2.327 41.362 39.000 0.059 0.000 1.245 749 F HN 0.196 nan 8.300 nan 0.000 0.477 750 R N 0.660 121.272 120.500 0.186 0.000 2.633 750 R HA 0.231 4.572 4.340 0.003 0.000 0.255 750 R C -2.159 174.118 176.300 -0.038 0.000 1.106 750 R CA -0.696 55.451 56.100 0.079 0.000 0.959 750 R CB 1.350 31.671 30.300 0.036 0.000 1.259 750 R HN 0.766 nan 8.270 nan 0.000 0.453 751 H N 5.371 124.330 119.070 -0.185 0.000 2.481 751 H HA 0.303 4.861 4.556 0.003 0.000 0.333 751 H C -1.910 173.314 175.328 -0.173 0.000 1.066 751 H CA -2.259 53.567 56.048 -0.370 0.000 1.209 751 H CB 2.226 31.699 29.762 -0.482 0.000 1.445 751 H HN 0.402 nan 8.280 nan 0.000 0.488 752 P HA -0.165 nan 4.420 nan 0.000 0.216 752 P C 1.120 178.561 177.300 0.236 0.000 1.150 752 P CA 1.343 64.505 63.100 0.102 0.000 0.837 752 P CB 0.695 32.390 31.700 -0.009 0.000 0.786 753 K N -0.536 120.040 120.400 0.294 0.000 2.323 753 K HA -0.003 4.318 4.320 0.003 0.000 0.197 753 K C 0.560 176.925 176.600 -0.390 0.000 1.043 753 K CA 0.283 56.613 56.287 0.073 0.000 0.997 753 K CB 0.321 32.860 32.500 0.064 0.000 0.807 753 K HN 0.124 nan 8.250 nan 0.000 0.497 754 R N -2.251 117.781 120.500 -0.780 0.000 2.752 754 R HA 0.236 4.578 4.340 0.003 0.000 0.277 754 R C -1.151 174.726 176.300 -0.705 0.000 1.024 754 R CA -0.799 54.602 56.100 -1.164 0.000 0.866 754 R CB -0.181 29.749 30.300 -0.618 0.000 1.278 754 R HN -0.247 nan 8.270 nan 0.000 0.473 755 T N 1.283 115.586 114.554 -0.419 0.000 2.900 755 T HA 0.301 4.652 4.350 0.003 0.000 0.307 755 T C 0.176 174.786 174.700 -0.150 0.000 1.065 755 T CA -0.237 61.776 62.100 -0.145 0.000 1.105 755 T CB 0.206 69.050 68.868 -0.040 0.000 0.979 755 T HN 0.279 nan 8.240 nan 0.000 0.544 756 L N 2.547 123.738 121.223 -0.052 0.000 2.292 756 L HA 0.409 4.751 4.340 0.003 0.000 0.284 756 L C 0.861 177.718 176.870 -0.021 0.000 1.065 756 L CA -0.961 53.859 54.840 -0.032 0.000 0.806 756 L CB 0.764 42.843 42.059 0.033 0.000 1.175 756 L HN 0.352 nan 8.230 nan 0.000 0.431 757 R N 2.047 122.531 120.500 -0.028 0.000 2.438 757 R HA 0.041 4.383 4.340 0.003 0.000 0.287 757 R C 0.704 176.994 176.300 -0.017 0.000 1.077 757 R CA -0.208 55.879 56.100 -0.022 0.000 1.034 757 R CB 0.782 31.068 30.300 -0.024 0.000 0.993 757 R HN 0.582 nan 8.270 nan 0.000 0.459 758 D N 2.594 122.985 120.400 -0.015 0.000 2.280 758 D HA -0.199 4.443 4.640 0.003 0.000 0.206 758 D C 1.019 177.299 176.300 -0.034 0.000 0.988 758 D CA 1.470 55.457 54.000 -0.022 0.000 0.886 758 D CB 0.451 41.245 40.800 -0.010 0.000 0.914 758 D HN 0.529 nan 8.370 nan 0.000 0.473 759 E N 1.107 121.292 120.200 -0.024 0.000 2.017 759 E HA -0.170 4.182 4.350 0.003 0.000 0.193 759 E C 2.069 178.648 176.600 -0.036 0.000 0.997 759 E CA 1.024 57.410 56.400 -0.024 0.000 0.804 759 E CB -0.137 29.555 29.700 -0.012 0.000 0.757 759 E HN 0.390 nan 8.360 nan 0.000 0.448 760 E N 0.142 120.329 120.200 -0.022 0.000 2.085 760 E HA -0.190 4.162 4.350 0.003 0.000 0.194 760 E C 2.100 178.628 176.600 -0.120 0.000 0.994 760 E CA 1.337 57.729 56.400 -0.014 0.000 0.801 760 E CB -0.080 29.666 29.700 0.077 0.000 0.743 760 E HN 0.056 nan 8.360 nan 0.000 0.453 761 V N 1.599 121.413 119.914 -0.166 0.000 2.221 761 V HA -0.232 3.889 4.120 0.003 0.000 0.240 761 V C 2.229 178.149 176.094 -0.290 0.000 1.041 761 V CA 1.764 63.856 62.300 -0.348 0.000 0.991 761 V CB -0.532 31.159 31.823 -0.220 0.000 0.634 761 V HN 0.165 nan 8.190 nan 0.000 0.450 762 E N -0.032 120.081 120.200 -0.145 0.000 2.114 762 E HA -0.268 4.084 4.350 0.003 0.000 0.199 762 E C 2.237 178.788 176.600 -0.082 0.000 1.008 762 E CA 1.413 57.761 56.400 -0.087 0.000 0.810 762 E CB -0.447 29.228 29.700 -0.041 0.000 0.739 762 E HN 0.609 nan 8.360 nan 0.000 0.456 763 E N 0.359 120.509 120.200 -0.084 0.000 2.085 763 E HA -0.188 4.163 4.350 0.003 0.000 0.194 763 E C 1.867 178.423 176.600 -0.072 0.000 0.994 763 E CA 1.267 57.630 56.400 -0.063 0.000 0.801 763 E CB 0.027 29.696 29.700 -0.052 0.000 0.743 763 E HN 0.181 nan 8.360 nan 0.000 0.453 764 A N 0.971 123.715 122.820 -0.127 0.000 1.872 764 A HA -0.110 4.212 4.320 0.003 0.000 0.214 764 A C 2.455 180.012 177.584 -0.045 0.000 1.187 764 A CA 1.603 53.578 52.037 -0.103 0.000 0.614 764 A CB -0.948 17.938 19.000 -0.190 0.000 0.826 764 A HN 0.284 nan 8.150 nan 0.000 0.442 765 V N -1.736 118.130 119.914 -0.081 0.000 2.660 765 V HA -0.193 3.929 4.120 0.003 0.000 0.257 765 V C 1.956 178.063 176.094 0.022 0.000 1.088 765 V CA 2.769 65.077 62.300 0.013 0.000 1.106 765 V CB -0.918 30.910 31.823 0.010 0.000 0.686 765 V HN 0.371 nan 8.190 nan 0.000 0.481 766 S N 0.605 116.303 115.700 -0.003 0.000 2.356 766 S HA 0.031 4.503 4.470 0.003 0.000 0.219 766 S C 1.974 176.579 174.600 0.009 0.000 1.036 766 S CA 0.899 59.102 58.200 0.006 0.000 0.965 766 S CB -0.350 62.846 63.200 -0.005 0.000 0.864 766 S HN 0.566 nan 8.310 nan 0.000 0.471 767 R N 1.389 121.889 120.500 -0.000 0.000 2.185 767 R HA -0.040 4.301 4.340 0.003 0.000 0.247 767 R C 2.066 178.374 176.300 0.012 0.000 1.159 767 R CA 0.755 56.855 56.100 0.000 0.000 0.988 767 R CB -1.567 28.727 30.300 -0.010 0.000 0.871 767 R HN 0.358 nan 8.270 nan 0.000 0.458 768 V N 1.057 120.985 119.914 0.024 0.000 2.323 768 V HA -0.109 4.013 4.120 0.003 0.000 0.244 768 V C 2.537 178.654 176.094 0.039 0.000 1.041 768 V CA 1.643 63.960 62.300 0.030 0.000 1.025 768 V CB -0.877 30.972 31.823 0.042 0.000 0.656 768 V HN 0.312 nan 8.190 nan 0.000 0.451 769 A N -0.530 122.317 122.820 0.044 0.000 2.024 769 A HA -0.266 4.056 4.320 0.003 0.000 0.220 769 A C 2.220 179.832 177.584 0.047 0.000 1.164 769 A CA 2.048 54.117 52.037 0.054 0.000 0.643 769 A CB -0.430 18.600 19.000 0.049 0.000 0.806 769 A HN 0.652 nan 8.150 nan 0.000 0.451 770 E N -0.145 120.074 120.200 0.032 0.000 2.001 770 E HA -0.097 4.255 4.350 0.003 0.000 0.193 770 E C 2.185 178.800 176.600 0.024 0.000 0.994 770 E CA 0.973 57.386 56.400 0.022 0.000 0.815 770 E CB -0.273 29.433 29.700 0.011 0.000 0.770 770 E HN 0.484 nan 8.360 nan 0.000 0.453 771 A N 0.867 123.701 122.820 0.023 0.000 2.070 771 A HA -0.145 4.176 4.320 0.003 0.000 0.220 771 A C 2.041 179.658 177.584 0.055 0.000 1.159 771 A CA 0.978 53.030 52.037 0.024 0.000 0.656 771 A CB -0.513 18.497 19.000 0.017 0.000 0.800 771 A HN 0.375 nan 8.150 nan 0.000 0.453 772 L N -0.191 121.080 121.223 0.080 0.000 1.973 772 L HA -0.093 4.249 4.340 0.003 0.000 0.208 772 L C 2.424 179.388 176.870 0.156 0.000 1.073 772 L CA 2.071 57.006 54.840 0.158 0.000 0.746 772 L CB -0.616 41.525 42.059 0.136 0.000 0.891 772 L HN 0.336 nan 8.230 nan 0.000 0.433 773 R N -0.771 119.785 120.500 0.093 0.000 2.148 773 R HA 0.019 4.361 4.340 0.003 0.000 0.223 773 R C 2.123 178.417 176.300 -0.010 0.000 1.088 773 R CA 0.909 57.040 56.100 0.050 0.000 0.985 773 R CB -0.495 29.834 30.300 0.047 0.000 0.880 773 R HN 0.516 nan 8.270 nan 0.000 0.451 774 A N 0.901 123.717 122.820 -0.005 0.000 2.125 774 A HA -0.119 4.203 4.320 0.003 0.000 0.219 774 A C 1.993 179.537 177.584 -0.066 0.000 1.156 774 A CA 1.014 53.035 52.037 -0.028 0.000 0.671 774 A CB -0.218 18.774 19.000 -0.013 0.000 0.794 774 A HN 0.026 nan 8.150 nan 0.000 0.459 775 R N -1.271 119.174 120.500 -0.092 0.000 2.066 775 R HA 0.092 4.434 4.340 0.003 0.000 0.224 775 R C 1.344 177.420 176.300 -0.374 0.000 1.122 775 R CA 1.381 57.363 56.100 -0.197 0.000 0.974 775 R CB -0.394 29.810 30.300 -0.160 0.000 0.871 775 R HN 0.754 nan 8.270 nan 0.000 0.435 776 G N -1.008 107.537 108.800 -0.424 0.000 2.789 776 G HA2 -0.071 3.891 3.960 0.003 0.000 0.218 776 G HA3 -0.071 3.891 3.960 0.003 0.000 0.218 776 G C -0.513 174.146 174.900 -0.401 0.000 0.980 776 G CA -0.617 44.236 45.100 -0.411 0.000 0.848 776 G HN 0.078 nan 8.290 nan 0.000 0.591 777 F N 1.287 121.257 119.950 0.033 0.000 2.458 777 F HA 0.750 5.279 4.527 0.003 0.000 0.330 777 F C 0.976 176.808 175.800 0.054 0.000 1.082 777 F CA -0.731 57.298 58.000 0.050 0.000 0.995 777 F CB 1.641 40.667 39.000 0.045 0.000 1.170 777 F HN 0.139 nan 8.300 nan 0.000 0.478 778 G N 1.018 109.985 108.800 0.279 0.000 2.425 778 G HA2 0.478 4.440 3.960 0.003 0.000 0.302 778 G HA3 0.478 4.440 3.960 0.003 0.000 0.302 778 G C -1.384 173.607 174.900 0.151 0.000 1.159 778 G CA -0.462 44.738 45.100 0.167 0.000 0.865 778 G HN 0.566 nan 8.290 nan 0.000 0.515 779 L N 2.122 123.413 121.223 0.113 0.000 2.701 779 L HA 0.378 4.720 4.340 0.003 0.000 0.237 779 L C 1.952 178.874 176.870 0.087 0.000 1.204 779 L CA -0.548 54.355 54.840 0.104 0.000 1.109 779 L CB -0.211 41.905 42.059 0.095 0.000 1.409 779 L HN 0.809 nan 8.230 nan 0.000 0.428 780 R N 1.332 121.882 120.500 0.083 0.000 2.234 780 R HA -0.179 4.163 4.340 0.003 0.000 0.241 780 R C 0.638 176.979 176.300 0.070 0.000 1.115 780 R CA 1.854 57.995 56.100 0.069 0.000 0.913 780 R CB -0.310 30.028 30.300 0.063 0.000 0.911 780 R HN 0.672 nan 8.270 nan 0.000 0.430 781 G N -0.506 108.343 108.800 0.082 0.000 2.441 781 G HA2 0.562 4.524 3.960 0.003 0.000 0.334 781 G HA3 0.562 4.524 3.960 0.003 0.000 0.334 781 G C -1.586 173.374 174.900 0.101 0.000 1.161 781 G CA -0.690 44.464 45.100 0.089 0.000 0.935 781 G HN 0.276 nan 8.290 nan 0.000 0.488 782 L N 0.601 121.881 121.223 0.095 0.000 2.513 782 L HA 0.420 4.761 4.340 0.003 0.000 0.261 782 L C -0.014 176.911 176.870 0.092 0.000 0.945 782 L CA -0.468 54.429 54.840 0.095 0.000 0.848 782 L CB 2.179 44.282 42.059 0.074 0.000 1.334 782 L HN 0.781 nan 8.230 nan 0.000 0.407 783 D N 1.460 121.920 120.400 0.101 0.000 3.070 783 D HA -0.185 4.456 4.640 0.003 0.000 0.220 783 D C -0.039 176.322 176.300 0.102 0.000 1.176 783 D CA 1.596 55.653 54.000 0.094 0.000 0.924 783 D CB -0.666 40.172 40.800 0.065 0.000 1.124 783 D HN 0.660 nan 8.370 nan 0.000 0.411 784 T N 2.258 116.884 114.554 0.120 0.000 2.891 784 T HA 0.187 4.538 4.350 0.003 0.000 0.296 784 T C -1.674 173.100 174.700 0.123 0.000 1.025 784 T CA -0.083 62.090 62.100 0.122 0.000 1.149 784 T CB 0.937 69.896 68.868 0.153 0.000 1.007 784 T HN 0.252 nan 8.240 nan 0.000 0.528 785 P HA 0.000 nan 4.420 nan 0.000 0.216 785 P CA 0.000 63.148 63.100 0.080 0.000 0.800 785 P CB 0.000 31.731 31.700 0.052 0.000 0.726