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 1sgx_1_B DATA FIRST_RESID 1 DATA SEQUENCE AALGVQSINW QTAFNRQAHH TDKFSSQELI LRRGQNFQVL MIMNKGLGSN DATA SEQUENCE ERLEFIVSTG PYPSESAMTK AVFPLSNGSS GGWSAVLQAS NGNTLTISIS DATA SEQUENCE SPASAPIGRY TMALQIFSQG GISSVKLGTF ILLFNPWLNV DSVFMGNHAE DATA SEQUENCE REEYVQEDAG IIFVGSTNRI GMIGWNFGQF EEDILSICLS ILDRSLNFRR DATA SEQUENCE DAATDVASRN DPKYVGRVLS AMINSNDDNG VLAGNWSGTY TGGRDPRSWN DATA SEQUENCE GSVEILKNWK KSGLSPVRYG QCWVFAGTLN TALRSLGIPS RVITNFNSAH DATA SEQUENCE DTDRNLSVDV YYDPMGNPLD KGSDSVWNFH VWNEGWFVRS DLGPSYGGWQ DATA SEQUENCE VLDATPQERS QGVFQCGPAS VIGVREGDVQ LNFDMPFIFA EVNADRITWL DATA SEQUENCE YDNTTGKQWK NSVNSHTIGR YISTKAVGSN ARMDVTDKYK YPEGSDQERQ DATA SEQUENCE VFQKALGKLX XXXXXXXXXX XXLETEEQEP SIIGKLKVAG MLAVGKEVNL DATA SEQUENCE VLLLKNLSRD TKTVTVNMTA WTIIYNGTLV HEVWKDSATM SLDPEEEAEH DATA SEQUENCE PIKISYAQYE RYLKSDNMIR ITAVCKVPDE SEVVVERDII LDNPTLTLEV DATA SEQUENCE LNEARVRKPV NVQMLFSNPL DEPVRDCVLM VEGSGLLLGN LKIDVPTLGP DATA SEQUENCE KERSRVRFDI LPSRSGTKQL LADFSCNKFP AIKAMLSIDV AE 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.577 177.584 -0.011 0.000 1.274 1 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 1 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 2 A N 0.702 123.512 122.820 -0.016 0.000 2.340 2 A HA 0.625 4.944 4.320 -0.002 0.000 0.268 2 A C 0.120 177.691 177.584 -0.022 0.000 1.100 2 A CA -0.322 51.704 52.037 -0.018 0.000 0.803 2 A CB 0.241 19.225 19.000 -0.026 0.000 1.043 2 A HN 2.050 nan 8.150 nan 0.000 0.488 3 L N 1.948 123.159 121.223 -0.020 0.000 2.490 3 L HA 0.512 4.850 4.340 -0.002 0.000 0.274 3 L C 0.524 177.371 176.870 -0.039 0.000 1.201 3 L CA 1.413 56.239 54.840 -0.024 0.000 0.869 3 L CB 0.377 42.426 42.059 -0.016 0.000 1.123 3 L HN 0.851 nan 8.230 nan 0.000 0.484 4 G N 3.799 112.574 108.800 -0.041 0.000 2.718 4 G HA2 0.546 4.504 3.960 -0.002 0.000 0.295 4 G HA3 0.546 4.504 3.960 -0.002 0.000 0.295 4 G C -1.756 173.114 174.900 -0.051 0.000 1.421 4 G CA -0.671 44.399 45.100 -0.051 0.000 0.902 4 G HN 0.528 nan 8.290 nan 0.000 0.501 5 V N 1.232 121.110 119.914 -0.061 0.000 2.546 5 V HA 0.231 4.350 4.120 -0.002 0.000 0.284 5 V C 0.867 176.934 176.094 -0.044 0.000 1.050 5 V CA -0.074 62.191 62.300 -0.059 0.000 0.981 5 V CB 1.394 33.171 31.823 -0.076 0.000 0.990 5 V HN 0.902 nan 8.190 nan 0.000 0.474 6 Q N 2.308 122.084 119.800 -0.040 0.000 2.324 6 Q HA 0.188 4.526 4.340 -0.002 0.000 0.207 6 Q C 0.504 176.488 176.000 -0.027 0.000 0.928 6 Q CA 0.784 56.570 55.803 -0.029 0.000 0.890 6 Q CB 0.938 29.661 28.738 -0.025 0.000 1.001 6 Q HN 0.895 nan 8.270 nan 0.000 0.517 7 S N -0.714 114.961 115.700 -0.041 0.000 2.567 7 S HA 0.602 5.071 4.470 -0.002 0.000 0.270 7 S C -1.331 173.213 174.600 -0.093 0.000 1.152 7 S CA -0.968 57.204 58.200 -0.046 0.000 0.835 7 S CB 1.702 64.885 63.200 -0.030 0.000 1.115 7 S HN 0.236 nan 8.310 nan 0.000 0.459 8 I N 1.645 122.134 120.570 -0.135 0.000 2.582 8 I HA 0.545 4.713 4.170 -0.002 0.000 0.292 8 I C -1.577 174.355 176.117 -0.307 0.000 1.066 8 I CA -0.619 60.507 61.300 -0.289 0.000 1.053 8 I CB 1.919 39.620 38.000 -0.498 0.000 1.241 8 I HN 0.823 nan 8.210 nan 0.000 0.421 9 N N 6.432 124.963 118.700 -0.281 0.000 2.511 9 N HA 0.205 4.944 4.740 -0.002 0.000 0.249 9 N C -0.309 175.119 175.510 -0.137 0.000 0.971 9 N CA -0.383 52.584 53.050 -0.137 0.000 0.938 9 N CB 0.788 39.241 38.487 -0.058 0.000 1.131 9 N HN 0.671 nan 8.380 nan 0.000 0.505 10 W N 1.818 123.167 121.300 0.083 0.000 2.937 10 W HA 0.125 4.784 4.660 -0.002 0.000 0.245 10 W C 0.733 177.318 176.519 0.109 0.000 1.306 10 W CA -0.203 57.204 57.345 0.104 0.000 1.470 10 W CB -0.032 29.481 29.460 0.089 0.000 1.132 10 W HN 0.495 nan 8.180 nan 0.000 0.675 11 Q N -0.130 119.828 119.800 0.263 0.000 2.439 11 Q HA -0.255 4.083 4.340 -0.002 0.000 0.325 11 Q C 0.964 177.121 176.000 0.262 0.000 1.372 11 Q CA 0.796 56.733 55.803 0.223 0.000 0.909 11 Q CB -1.921 26.935 28.738 0.198 0.000 1.167 11 Q HN 0.266 nan 8.270 nan 0.000 0.418 12 T N -0.590 114.097 114.554 0.223 0.000 2.684 12 T HA -0.234 4.115 4.350 -0.002 0.000 0.267 12 T C 1.820 176.584 174.700 0.105 0.000 1.036 12 T CA 1.602 63.788 62.100 0.144 0.000 1.148 12 T CB -0.105 68.830 68.868 0.111 0.000 0.863 12 T HN 0.671 nan 8.240 nan 0.000 0.436 13 A N 0.876 123.770 122.820 0.124 0.000 1.877 13 A HA -0.007 4.312 4.320 -0.002 0.000 0.216 13 A C 2.051 179.704 177.584 0.115 0.000 1.186 13 A CA 1.426 53.523 52.037 0.100 0.000 0.620 13 A CB -1.028 18.032 19.000 0.100 0.000 0.822 13 A HN 0.512 nan 8.150 nan 0.000 0.443 14 F N 1.326 121.291 119.950 0.024 0.000 2.069 14 F HA -0.239 4.287 4.527 -0.002 0.000 0.298 14 F C 2.204 178.015 175.800 0.018 0.000 1.113 14 F CA 2.182 60.195 58.000 0.021 0.000 1.214 14 F CB -0.154 38.867 39.000 0.035 0.000 0.978 14 F HN 0.210 nan 8.300 nan 0.000 0.474 15 N N 0.565 119.278 118.700 0.022 0.000 2.142 15 N HA -0.129 4.610 4.740 -0.002 0.000 0.186 15 N C 1.915 177.321 175.510 -0.173 0.000 1.023 15 N CA 1.282 54.264 53.050 -0.114 0.000 0.852 15 N CB -0.445 38.029 38.487 -0.022 0.000 0.998 15 N HN 0.393 nan 8.380 nan 0.000 0.424 16 R N 0.979 121.409 120.500 -0.115 0.000 2.096 16 R HA -0.092 4.247 4.340 -0.002 0.000 0.235 16 R C 2.211 178.437 176.300 -0.124 0.000 1.127 16 R CA 0.926 56.973 56.100 -0.088 0.000 0.968 16 R CB -0.196 30.092 30.300 -0.021 0.000 0.861 16 R HN 0.386 nan 8.270 nan 0.000 0.440 17 Q N 0.335 120.039 119.800 -0.160 0.000 2.050 17 Q HA -0.147 4.192 4.340 -0.002 0.000 0.202 17 Q C 2.050 177.818 176.000 -0.387 0.000 0.980 17 Q CA 1.754 57.426 55.803 -0.217 0.000 0.840 17 Q CB -0.070 28.567 28.738 -0.169 0.000 0.898 17 Q HN 0.378 nan 8.270 nan 0.000 0.424 18 A N -0.129 122.441 122.820 -0.417 0.000 1.930 18 A HA -0.168 4.150 4.320 -0.002 0.000 0.217 18 A C 1.449 178.677 177.584 -0.592 0.000 1.175 18 A CA 1.278 53.027 52.037 -0.480 0.000 0.627 18 A CB -0.692 18.064 19.000 -0.406 0.000 0.815 18 A HN 0.517 nan 8.150 nan 0.000 0.443 19 H N -1.335 117.430 119.070 -0.509 0.000 2.533 19 H HA 0.030 4.585 4.556 -0.002 0.000 0.271 19 H C -0.382 174.674 175.328 -0.454 0.000 1.000 19 H CA 0.358 56.169 56.048 -0.395 0.000 1.149 19 H CB -0.052 29.594 29.762 -0.194 0.000 1.375 19 H HN 0.661 nan 8.280 nan 0.000 0.582 20 H N 0.154 119.022 119.070 -0.337 0.000 2.713 20 H HA -0.122 4.433 4.556 -0.002 0.000 0.311 20 H C 0.780 176.021 175.328 -0.144 0.000 1.175 20 H CA 1.173 56.968 56.048 -0.420 0.000 1.143 20 H CB -2.191 26.877 29.762 -1.156 0.000 1.434 20 H HN 0.528 nan 8.280 nan 0.000 0.418 21 T N -3.510 111.076 114.554 0.054 0.000 3.111 21 T HA 0.008 4.356 4.350 -0.002 0.000 0.284 21 T C 1.259 176.101 174.700 0.235 0.000 0.983 21 T CA 0.172 62.447 62.100 0.291 0.000 0.900 21 T CB 0.457 69.512 68.868 0.311 0.000 1.132 21 T HN 0.419 nan 8.240 nan 0.000 0.531 22 D N 2.043 122.465 120.400 0.036 0.000 2.310 22 D HA -0.117 4.521 4.640 -0.002 0.000 0.212 22 D C 1.519 177.780 176.300 -0.065 0.000 0.965 22 D CA 0.469 54.468 54.000 -0.002 0.000 0.879 22 D CB 0.009 40.778 40.800 -0.053 0.000 0.921 22 D HN 0.368 nan 8.370 nan 0.000 0.510 23 K N -0.077 120.174 120.400 -0.248 0.000 2.296 23 K HA 0.026 4.344 4.320 -0.002 0.000 0.200 23 K C 0.466 176.894 176.600 -0.287 0.000 1.048 23 K CA -0.017 55.956 56.287 -0.524 0.000 0.966 23 K CB -0.091 31.608 32.500 -1.336 0.000 0.754 23 K HN 0.158 nan 8.250 nan 0.000 0.466 24 F N 2.026 122.052 119.950 0.127 0.000 2.578 24 F HA -0.043 4.483 4.527 -0.002 0.000 0.376 24 F C 0.898 176.781 175.800 0.138 0.000 1.085 24 F CA -0.004 58.154 58.000 0.263 0.000 1.260 24 F CB 0.409 39.550 39.000 0.235 0.000 1.095 24 F HN -0.218 nan 8.300 nan 0.000 0.573 25 S N 2.821 118.718 115.700 0.329 0.000 2.701 25 S HA 0.361 4.829 4.470 -0.002 0.000 0.317 25 S C -0.098 174.610 174.600 0.180 0.000 1.149 25 S CA -0.278 58.040 58.200 0.196 0.000 1.052 25 S CB 0.215 63.511 63.200 0.160 0.000 1.257 25 S HN 0.618 nan 8.310 nan 0.000 0.532 26 S N 1.988 117.777 115.700 0.149 0.000 2.578 26 S HA 0.298 4.766 4.470 -0.002 0.000 0.272 26 S C -0.391 174.252 174.600 0.072 0.000 1.145 26 S CA -0.601 57.658 58.200 0.099 0.000 0.835 26 S CB 1.034 64.288 63.200 0.091 0.000 1.104 26 S HN 0.391 nan 8.310 nan 0.000 0.458 27 Q N 1.040 120.866 119.800 0.043 0.000 2.384 27 Q HA 0.264 4.603 4.340 -0.002 0.000 0.207 27 Q C -0.060 175.945 176.000 0.008 0.000 0.904 27 Q CA 0.388 56.211 55.803 0.033 0.000 0.933 27 Q CB 0.111 28.867 28.738 0.029 0.000 1.077 27 Q HN 0.705 nan 8.270 nan 0.000 0.522 28 E N 0.975 121.168 120.200 -0.011 0.000 2.422 28 E HA 0.040 4.389 4.350 -0.002 0.000 0.260 28 E C -0.369 176.188 176.600 -0.070 0.000 1.108 28 E CA -0.280 56.087 56.400 -0.055 0.000 0.943 28 E CB 0.696 30.355 29.700 -0.067 0.000 0.961 28 E HN -0.077 nan 8.360 nan 0.000 0.443 29 L N 3.560 124.703 121.223 -0.132 0.000 2.312 29 L HA 0.250 4.589 4.340 -0.002 0.000 0.287 29 L C -0.957 175.832 176.870 -0.135 0.000 1.091 29 L CA 0.462 55.205 54.840 -0.163 0.000 0.846 29 L CB -0.108 41.765 42.059 -0.309 0.000 1.219 29 L HN 0.340 nan 8.230 nan 0.000 0.439 30 I N 6.487 126.988 120.570 -0.115 0.000 2.339 30 I HA 0.367 4.536 4.170 -0.002 0.000 0.290 30 I C -0.368 175.671 176.117 -0.130 0.000 0.994 30 I CA -0.338 60.904 61.300 -0.097 0.000 1.191 30 I CB 1.011 38.963 38.000 -0.080 0.000 1.343 30 I HN 0.523 nan 8.210 nan 0.000 0.458 31 L N 6.114 127.256 121.223 -0.135 0.000 2.257 31 L HA 0.665 5.004 4.340 -0.002 0.000 0.257 31 L C -0.287 176.648 176.870 0.108 0.000 1.033 31 L CA -0.979 53.753 54.840 -0.180 0.000 0.835 31 L CB 1.827 43.551 42.059 -0.559 0.000 1.398 31 L HN 0.471 nan 8.230 nan 0.000 0.429 32 R N 0.487 121.209 120.500 0.370 0.000 2.599 32 R HA 0.444 4.783 4.340 -0.002 0.000 0.295 32 R C -0.859 175.529 176.300 0.147 0.000 0.963 32 R CA -0.960 55.282 56.100 0.237 0.000 0.883 32 R CB 2.188 32.632 30.300 0.240 0.000 1.171 32 R HN 0.591 nan 8.270 nan 0.000 0.450 33 R N 0.436 120.976 120.500 0.067 0.000 2.811 33 R HA 0.144 4.483 4.340 -0.002 0.000 0.265 33 R C 0.514 176.796 176.300 -0.030 0.000 1.026 33 R CA 0.641 56.723 56.100 -0.030 0.000 1.142 33 R CB 0.062 30.335 30.300 -0.045 0.000 1.027 33 R HN 0.796 nan 8.270 nan 0.000 0.465 34 G N -0.001 108.722 108.800 -0.129 0.000 2.168 34 G HA2 -0.361 3.598 3.960 -0.002 0.000 0.257 34 G HA3 -0.361 3.598 3.960 -0.002 0.000 0.257 34 G C -0.113 174.738 174.900 -0.082 0.000 0.997 34 G CA 0.810 45.842 45.100 -0.114 0.000 0.708 34 G HN 0.774 nan 8.290 nan 0.000 0.520 35 Q N -0.338 119.430 119.800 -0.054 0.000 2.347 35 Q HA 0.418 4.756 4.340 -0.002 0.000 0.271 35 Q C 0.127 176.195 176.000 0.114 0.000 1.064 35 Q CA -0.802 54.966 55.803 -0.059 0.000 0.800 35 Q CB 1.019 29.581 28.738 -0.294 0.000 1.304 35 Q HN 0.511 nan 8.270 nan 0.000 0.438 36 N N 1.969 120.714 118.700 0.076 0.000 2.415 36 N HA 0.342 5.080 4.740 -0.002 0.000 0.248 36 N C -0.982 174.765 175.510 0.395 0.000 1.271 36 N CA 0.209 53.329 53.050 0.117 0.000 0.913 36 N CB 0.443 38.938 38.487 0.013 0.000 1.129 36 N HN 0.323 nan 8.380 nan 0.000 0.444 37 F N -1.757 118.248 119.950 0.092 0.000 2.608 37 F HA 0.352 4.878 4.527 -0.002 0.000 0.309 37 F C -0.904 174.942 175.800 0.078 0.000 1.103 37 F CA -1.186 56.863 58.000 0.082 0.000 0.954 37 F CB 1.290 40.240 39.000 -0.083 0.000 1.267 37 F HN 0.290 nan 8.300 nan 0.000 0.444 38 Q N 2.998 122.949 119.800 0.251 0.000 2.293 38 Q HA 0.745 5.083 4.340 -0.002 0.000 0.261 38 Q C -1.397 174.697 176.000 0.155 0.000 0.960 38 Q CA -0.972 54.908 55.803 0.128 0.000 0.882 38 Q CB 2.316 31.157 28.738 0.171 0.000 1.275 38 Q HN 0.928 nan 8.270 nan 0.000 0.445 39 V N 1.591 121.525 119.914 0.035 0.000 2.914 39 V HA 0.649 4.768 4.120 -0.002 0.000 0.314 39 V C -1.054 175.001 176.094 -0.065 0.000 1.084 39 V CA -1.026 61.273 62.300 -0.001 0.000 0.963 39 V CB 1.831 33.608 31.823 -0.077 0.000 1.025 39 V HN 0.744 nan 8.190 nan 0.000 0.432 40 L N 3.821 124.987 121.223 -0.096 0.000 2.305 40 L HA 0.634 4.972 4.340 -0.002 0.000 0.284 40 L C -0.333 176.465 176.870 -0.119 0.000 1.013 40 L CA -0.354 54.434 54.840 -0.087 0.000 0.819 40 L CB 1.692 43.708 42.059 -0.072 0.000 1.227 40 L HN 0.678 nan 8.230 nan 0.000 0.417 41 M N 4.829 124.378 119.600 -0.085 0.000 2.078 41 M HA 0.481 4.959 4.480 -0.002 0.000 0.320 41 M C -0.812 175.451 176.300 -0.061 0.000 0.969 41 M CA -0.416 54.831 55.300 -0.089 0.000 0.929 41 M CB 1.321 33.888 32.600 -0.055 0.000 1.504 41 M HN 0.487 nan 8.290 nan 0.000 0.419 42 I N 6.145 126.676 120.570 -0.064 0.000 2.322 42 I HA 0.175 4.344 4.170 -0.002 0.000 0.292 42 I C 0.022 176.113 176.117 -0.043 0.000 1.060 42 I CA -0.407 60.866 61.300 -0.046 0.000 1.309 42 I CB 0.710 38.685 38.000 -0.041 0.000 1.415 42 I HN 0.619 nan 8.210 nan 0.000 0.492 43 M N 5.247 124.826 119.600 -0.035 0.000 2.363 43 M HA 0.201 4.680 4.480 -0.002 0.000 0.280 43 M C 1.321 177.604 176.300 -0.027 0.000 1.182 43 M CA -0.409 54.870 55.300 -0.034 0.000 0.974 43 M CB 0.241 32.822 32.600 -0.031 0.000 1.452 43 M HN 0.536 nan 8.290 nan 0.000 0.507 44 N N 0.517 119.201 118.700 -0.026 0.000 2.415 44 N HA -0.039 4.699 4.740 -0.002 0.000 0.176 44 N C -0.096 175.404 175.510 -0.017 0.000 1.042 44 N CA 0.578 53.615 53.050 -0.021 0.000 0.902 44 N CB 0.521 38.995 38.487 -0.021 0.000 0.986 44 N HN 0.741 nan 8.380 nan 0.000 0.447 45 K N -1.922 118.468 120.400 -0.017 0.000 2.428 45 K HA 0.585 4.904 4.320 -0.002 0.000 0.279 45 K C -0.383 176.210 176.600 -0.011 0.000 1.041 45 K CA -0.974 55.305 56.287 -0.013 0.000 0.887 45 K CB 0.448 32.942 32.500 -0.011 0.000 1.535 45 K HN -0.124 nan 8.250 nan 0.000 0.417 46 G N 0.733 109.528 108.800 -0.008 0.000 2.432 46 G HA2 0.372 4.331 3.960 -0.002 0.000 0.257 46 G HA3 0.372 4.331 3.960 -0.002 0.000 0.257 46 G C -0.742 174.156 174.900 -0.003 0.000 1.238 46 G CA -0.610 44.487 45.100 -0.006 0.000 0.838 46 G HN 0.441 nan 8.290 nan 0.000 0.547 47 L N 2.726 123.948 121.223 -0.001 0.000 2.477 47 L HA 0.520 4.859 4.340 -0.002 0.000 0.272 47 L C 0.910 177.784 176.870 0.005 0.000 1.157 47 L CA -0.168 54.674 54.840 0.003 0.000 0.889 47 L CB 0.270 42.334 42.059 0.007 0.000 1.158 47 L HN 0.482 nan 8.230 nan 0.000 0.473 48 G N 2.803 111.608 108.800 0.007 0.000 2.415 48 G HA2 0.329 4.288 3.960 -0.002 0.000 0.269 48 G HA3 0.329 4.288 3.960 -0.002 0.000 0.269 48 G C 0.806 175.711 174.900 0.009 0.000 1.209 48 G CA 0.085 45.190 45.100 0.008 0.000 0.835 48 G HN 0.950 nan 8.290 nan 0.000 0.534 49 S N 0.722 116.425 115.700 0.006 0.000 2.500 49 S HA -0.159 4.309 4.470 -0.002 0.000 0.239 49 S C 1.502 176.103 174.600 0.002 0.000 0.989 49 S CA 1.178 59.380 58.200 0.005 0.000 0.951 49 S CB -0.158 63.043 63.200 0.003 0.000 0.759 49 S HN 0.715 nan 8.310 nan 0.000 0.523 50 N N 0.778 119.481 118.700 0.005 0.000 2.280 50 N HA 0.073 4.812 4.740 -0.002 0.000 0.192 50 N C -0.299 175.220 175.510 0.014 0.000 1.109 50 N CA -0.084 52.968 53.050 0.004 0.000 0.855 50 N CB 0.395 38.886 38.487 0.007 0.000 0.974 50 N HN 0.565 nan 8.380 nan 0.000 0.482 51 E N 0.541 120.755 120.200 0.022 0.000 2.250 51 E HA 0.334 4.683 4.350 -0.002 0.000 0.265 51 E C -0.538 176.088 176.600 0.042 0.000 1.033 51 E CA -0.561 55.867 56.400 0.047 0.000 0.888 51 E CB 2.046 31.770 29.700 0.041 0.000 1.151 51 E HN 0.092 nan 8.360 nan 0.000 0.412 52 R N 1.480 122.036 120.500 0.093 0.000 2.698 52 R HA 0.445 4.784 4.340 -0.002 0.000 0.275 52 R C -1.736 174.654 176.300 0.150 0.000 1.001 52 R CA -0.535 55.609 56.100 0.073 0.000 0.896 52 R CB 1.063 31.316 30.300 -0.079 0.000 1.218 52 R HN 0.440 nan 8.270 nan 0.000 0.462 53 L N 3.194 124.460 121.223 0.070 0.000 2.356 53 L HA 0.520 4.859 4.340 -0.002 0.000 0.277 53 L C -0.509 176.344 176.870 -0.028 0.000 0.996 53 L CA -0.903 53.922 54.840 -0.025 0.000 0.822 53 L CB 2.050 44.031 42.059 -0.129 0.000 1.256 53 L HN 0.531 nan 8.230 nan 0.000 0.413 54 E N 3.170 123.321 120.200 -0.082 0.000 2.155 54 E HA 0.399 4.747 4.350 -0.002 0.000 0.264 54 E C -1.185 175.239 176.600 -0.293 0.000 0.886 54 E CA -0.500 55.862 56.400 -0.063 0.000 0.752 54 E CB 2.268 32.022 29.700 0.089 0.000 1.133 54 E HN 0.225 nan 8.360 nan 0.000 0.414 55 F N 2.277 121.962 119.950 -0.441 0.000 2.384 55 F HA 0.383 4.909 4.527 -0.002 0.000 0.338 55 F C 0.752 176.185 175.800 -0.611 0.000 1.103 55 F CA -0.370 57.263 58.000 -0.612 0.000 1.157 55 F CB 0.772 39.152 39.000 -1.033 0.000 1.167 55 F HN 0.245 nan 8.300 nan 0.000 0.529 56 I N 4.067 124.551 120.570 -0.144 0.000 2.439 56 I HA 0.388 4.557 4.170 -0.002 0.000 0.285 56 I C -1.054 175.093 176.117 0.050 0.000 1.021 56 I CA -1.020 60.248 61.300 -0.054 0.000 1.091 56 I CB 1.676 39.659 38.000 -0.028 0.000 1.242 56 I HN 0.312 nan 8.210 nan 0.000 0.439 57 V N 2.096 122.031 119.914 0.035 0.000 2.628 57 V HA 0.833 4.952 4.120 -0.002 0.000 0.306 57 V C -0.193 175.931 176.094 0.050 0.000 1.045 57 V CA -0.163 62.178 62.300 0.068 0.000 0.905 57 V CB 1.712 33.414 31.823 -0.202 0.000 0.997 57 V HN 0.699 nan 8.190 nan 0.000 0.436 58 S N 2.133 117.889 115.700 0.094 0.000 2.564 58 S HA 0.813 5.282 4.470 -0.002 0.000 0.274 58 S C -0.517 173.911 174.600 -0.288 0.000 1.124 58 S CA -0.592 57.578 58.200 -0.050 0.000 0.869 58 S CB 2.045 65.217 63.200 -0.045 0.000 1.105 58 S HN 1.210 nan 8.310 nan 0.000 0.472 59 T N 0.747 115.052 114.554 -0.414 0.000 2.956 59 T HA 0.710 5.058 4.350 -0.002 0.000 0.312 59 T C -0.167 174.378 174.700 -0.259 0.000 1.151 59 T CA 0.819 62.586 62.100 -0.554 0.000 1.024 59 T CB 0.822 69.020 68.868 -1.118 0.000 1.140 59 T HN 1.764 nan 8.240 nan 0.000 0.473 60 G N 4.817 113.513 108.800 -0.173 0.000 2.756 60 G HA2 -0.076 3.882 3.960 -0.002 0.000 0.678 60 G HA3 -0.076 3.882 3.960 -0.002 0.000 0.678 60 G C -1.914 172.935 174.900 -0.086 0.000 1.349 60 G CA -0.190 44.885 45.100 -0.042 0.000 0.847 60 G HN 0.654 nan 8.290 nan 0.000 0.548 61 P HA 0.104 nan 4.420 nan 0.000 0.241 61 P C -0.142 176.766 177.300 -0.654 0.000 1.191 61 P CA 1.165 64.024 63.100 -0.402 0.000 0.771 61 P CB 0.089 31.484 31.700 -0.509 0.000 0.929 62 Y N -0.250 120.027 120.300 -0.039 0.000 2.558 62 Y HA 0.376 4.925 4.550 -0.002 0.000 0.316 62 Y C -2.384 173.496 175.900 -0.034 0.000 0.967 62 Y CA -2.943 55.133 58.100 -0.039 0.000 1.126 62 Y CB -0.057 38.373 38.460 -0.050 0.000 1.155 62 Y HN -0.081 nan 8.280 nan 0.000 0.628 63 P HA -0.036 nan 4.420 nan 0.000 0.258 63 P C 0.014 177.346 177.300 0.054 0.000 1.172 63 P CA 0.678 63.794 63.100 0.026 0.000 0.762 63 P CB 0.759 32.453 31.700 -0.009 0.000 0.764 64 S N 2.301 118.034 115.700 0.054 0.000 2.594 64 S HA 0.256 4.725 4.470 -0.002 0.000 0.296 64 S C 0.859 175.495 174.600 0.061 0.000 1.124 64 S CA -0.602 57.630 58.200 0.054 0.000 1.011 64 S CB 0.930 64.158 63.200 0.047 0.000 1.016 64 S HN 0.215 nan 8.310 nan 0.000 0.485 65 E N 2.446 122.683 120.200 0.062 0.000 2.153 65 E HA -0.050 4.299 4.350 -0.002 0.000 0.194 65 E C 1.802 178.450 176.600 0.079 0.000 0.988 65 E CA 1.560 58.007 56.400 0.078 0.000 0.811 65 E CB -0.010 29.736 29.700 0.077 0.000 0.746 65 E HN 0.608 nan 8.360 nan 0.000 0.466 66 S N 0.287 116.023 115.700 0.060 0.000 2.368 66 S HA -0.088 4.381 4.470 -0.002 0.000 0.224 66 S C 1.933 176.565 174.600 0.053 0.000 1.029 66 S CA 0.985 59.216 58.200 0.051 0.000 0.988 66 S CB -0.109 63.111 63.200 0.034 0.000 0.838 66 S HN 0.395 nan 8.310 nan 0.000 0.462 67 A N 0.632 123.482 122.820 0.051 0.000 2.238 67 A HA 0.371 4.690 4.320 -0.002 0.000 0.208 67 A C 0.939 178.570 177.584 0.078 0.000 1.177 67 A CA 0.165 52.231 52.037 0.048 0.000 0.804 67 A CB -0.686 18.333 19.000 0.032 0.000 0.823 67 A HN 0.445 nan 8.150 nan 0.000 0.482 68 M N -1.291 118.373 119.600 0.106 0.000 2.818 68 M HA -0.183 4.296 4.480 -0.002 0.000 0.194 68 M C 0.933 177.347 176.300 0.189 0.000 0.586 68 M CA 1.249 56.649 55.300 0.167 0.000 0.664 68 M CB -2.699 30.011 32.600 0.183 0.000 2.418 68 M HN 0.630 nan 8.290 nan 0.000 0.517 69 T N -2.853 111.771 114.554 0.117 0.000 3.122 69 T HA 0.361 4.710 4.350 -0.002 0.000 0.250 69 T C 0.218 174.944 174.700 0.043 0.000 1.067 69 T CA 0.044 62.187 62.100 0.072 0.000 0.966 69 T CB 0.664 69.546 68.868 0.023 0.000 1.002 69 T HN 0.512 nan 8.240 nan 0.000 0.542 70 K N 0.298 120.742 120.400 0.074 0.000 2.543 70 K HA 0.658 4.977 4.320 -0.002 0.000 0.255 70 K C -2.135 174.491 176.600 0.043 0.000 0.934 70 K CA -0.713 55.597 56.287 0.038 0.000 0.810 70 K CB 2.132 34.653 32.500 0.034 0.000 1.315 70 K HN 0.148 nan 8.250 nan 0.000 0.433 71 A N 2.730 125.537 122.820 -0.020 0.000 2.455 71 A HA 0.633 4.951 4.320 -0.002 0.000 0.300 71 A C -1.574 176.112 177.584 0.171 0.000 1.040 71 A CA -0.647 51.417 52.037 0.045 0.000 0.697 71 A CB 1.777 20.659 19.000 -0.197 0.000 1.265 71 A HN 0.309 nan 8.150 nan 0.000 0.407 72 V N 2.943 123.002 119.914 0.242 0.000 2.444 72 V HA 0.719 4.837 4.120 -0.002 0.000 0.294 72 V C -1.085 175.211 176.094 0.337 0.000 1.022 72 V CA -0.340 62.066 62.300 0.178 0.000 0.850 72 V CB 0.535 32.422 31.823 0.107 0.000 0.992 72 V HN 0.835 nan 8.190 nan 0.000 0.426 73 F N 4.853 124.905 119.950 0.171 0.000 2.578 73 F HA 0.912 5.438 4.527 -0.002 0.000 0.311 73 F C -3.000 172.941 175.800 0.236 0.000 1.094 73 F CA -3.154 54.959 58.000 0.187 0.000 0.923 73 F CB 1.757 40.879 39.000 0.203 0.000 1.230 73 F HN 0.266 nan 8.300 nan 0.000 0.450 74 P HA 0.283 nan 4.420 nan 0.000 0.279 74 P C -1.102 176.363 177.300 0.275 0.000 1.252 74 P CA -0.391 62.834 63.100 0.209 0.000 0.811 74 P CB 2.303 34.075 31.700 0.120 0.000 1.035 75 L N 2.057 123.436 121.223 0.261 0.000 2.319 75 L HA 0.328 4.667 4.340 -0.002 0.000 0.280 75 L C 0.291 177.244 176.870 0.139 0.000 1.099 75 L CA 0.926 55.916 54.840 0.249 0.000 0.828 75 L CB -0.047 42.183 42.059 0.285 0.000 1.150 75 L HN 0.645 nan 8.230 nan 0.000 0.442 76 S N 2.937 118.700 115.700 0.105 0.000 3.144 76 S HA 0.563 5.032 4.470 -0.002 0.000 0.325 76 S C 0.224 174.850 174.600 0.042 0.000 1.161 76 S CA -0.751 57.489 58.200 0.066 0.000 0.920 76 S CB 0.938 64.177 63.200 0.066 0.000 1.340 76 S HN 0.577 nan 8.310 nan 0.000 0.681 77 N N 0.131 118.848 118.700 0.029 0.000 2.407 77 N HA 0.253 4.991 4.740 -0.002 0.000 0.182 77 N C 0.693 176.209 175.510 0.011 0.000 1.079 77 N CA 0.709 53.770 53.050 0.017 0.000 0.882 77 N CB 0.386 38.881 38.487 0.014 0.000 1.106 77 N HN 0.734 nan 8.380 nan 0.000 0.461 78 G N -0.164 108.645 108.800 0.015 0.000 2.705 78 G HA2 0.479 4.437 3.960 -0.002 0.000 0.299 78 G HA3 0.479 4.437 3.960 -0.002 0.000 0.299 78 G C -1.044 173.859 174.900 0.006 0.000 1.315 78 G CA -0.182 44.922 45.100 0.008 0.000 1.045 78 G HN 0.034 nan 8.290 nan 0.000 0.517 79 S N -1.579 114.118 115.700 -0.004 0.000 2.526 79 S HA 0.720 5.189 4.470 -0.002 0.000 0.293 79 S C 0.314 174.905 174.600 -0.015 0.000 1.092 79 S CA 0.085 58.275 58.200 -0.017 0.000 0.980 79 S CB 1.503 64.682 63.200 -0.036 0.000 1.048 79 S HN 1.258 nan 8.310 nan 0.000 0.483 80 S N 3.389 119.076 115.700 -0.021 0.000 3.012 80 S HA 0.849 5.317 4.470 -0.002 0.000 0.254 80 S C 0.878 175.451 174.600 -0.046 0.000 1.030 80 S CA -0.082 58.109 58.200 -0.016 0.000 1.053 80 S CB 0.458 63.666 63.200 0.014 0.000 1.286 80 S HN 0.918 nan 8.310 nan 0.000 0.633 81 G N 0.221 108.999 108.800 -0.037 0.000 2.601 81 G HA2 0.439 4.398 3.960 -0.002 0.000 0.214 81 G HA3 0.439 4.398 3.960 -0.002 0.000 0.214 81 G C 0.860 175.701 174.900 -0.098 0.000 2.067 81 G CA -0.059 45.002 45.100 -0.065 0.000 0.774 81 G HN 1.217 nan 8.290 nan 0.000 0.729 82 G N 0.225 109.009 108.800 -0.026 0.000 2.451 82 G HA2 0.218 4.176 3.960 -0.002 0.000 0.287 82 G HA3 0.218 4.176 3.960 -0.002 0.000 0.287 82 G C -0.343 174.636 174.900 0.131 0.000 0.617 82 G CA 0.180 45.308 45.100 0.047 0.000 2.108 82 G HN 0.525 nan 8.290 nan 0.000 0.531 83 W N -1.109 120.021 121.300 -0.285 0.000 3.078 83 W HA -0.071 4.587 4.660 -0.002 0.000 0.459 83 W C 0.526 176.545 176.519 -0.833 0.000 1.863 83 W CA 0.564 57.483 57.345 -0.710 0.000 0.459 83 W CB -1.537 27.339 29.460 -0.974 0.000 2.859 83 W HN 1.157 nan 8.180 nan 0.000 0.416 84 S N 0.757 116.069 115.700 -0.647 0.000 2.588 84 S HA 0.995 5.463 4.470 -0.002 0.000 0.269 84 S C -0.928 173.652 174.600 -0.033 0.000 1.157 84 S CA -0.785 57.289 58.200 -0.209 0.000 0.824 84 S CB 2.308 65.449 63.200 -0.097 0.000 1.126 84 S HN 1.735 nan 8.310 nan 0.000 0.464 85 A N 0.988 123.901 122.820 0.154 0.000 2.408 85 A HA 0.755 5.074 4.320 -0.002 0.000 0.295 85 A C -1.237 176.349 177.584 0.003 0.000 1.040 85 A CA -0.707 51.322 52.037 -0.014 0.000 0.707 85 A CB 1.486 20.380 19.000 -0.177 0.000 1.235 85 A HN 1.141 nan 8.150 nan 0.000 0.418 86 V N 2.931 122.813 119.914 -0.053 0.000 2.495 86 V HA 0.401 4.520 4.120 -0.002 0.000 0.298 86 V C -0.481 175.604 176.094 -0.016 0.000 1.031 86 V CA -0.588 61.701 62.300 -0.018 0.000 0.871 86 V CB 1.599 33.406 31.823 -0.028 0.000 0.988 86 V HN 0.840 nan 8.190 nan 0.000 0.432 87 L N 5.038 126.268 121.223 0.013 0.000 2.342 87 L HA 0.325 4.664 4.340 -0.002 0.000 0.285 87 L C 1.151 178.022 176.870 0.002 0.000 1.095 87 L CA 0.833 55.682 54.840 0.015 0.000 0.843 87 L CB 0.811 42.889 42.059 0.032 0.000 1.201 87 L HN 0.739 nan 8.230 nan 0.000 0.445 88 Q N 4.088 123.883 119.800 -0.008 0.000 2.212 88 Q HA 0.363 4.701 4.340 -0.002 0.000 0.199 88 Q C 0.121 176.116 176.000 -0.008 0.000 0.950 88 Q CA 0.875 56.672 55.803 -0.009 0.000 0.863 88 Q CB 0.268 28.998 28.738 -0.014 0.000 0.944 88 Q HN 0.790 nan 8.270 nan 0.000 0.465 89 A N -0.049 122.766 122.820 -0.009 0.000 2.608 89 A HA 0.592 4.911 4.320 -0.002 0.000 0.292 89 A C -1.334 176.244 177.584 -0.009 0.000 1.066 89 A CA -0.651 51.381 52.037 -0.009 0.000 0.676 89 A CB 1.817 20.808 19.000 -0.015 0.000 1.277 89 A HN -0.032 nan 8.150 nan 0.000 0.413 90 S N 0.841 116.536 115.700 -0.008 0.000 2.707 90 S HA 0.581 5.050 4.470 -0.002 0.000 0.303 90 S C -1.032 173.562 174.600 -0.010 0.000 1.132 90 S CA -0.504 57.691 58.200 -0.007 0.000 1.046 90 S CB 0.983 64.181 63.200 -0.003 0.000 1.004 90 S HN 0.610 nan 8.310 nan 0.000 0.483 91 N N 1.695 120.386 118.700 -0.014 0.000 2.491 91 N HA 0.638 5.377 4.740 -0.002 0.000 0.274 91 N C 0.711 176.213 175.510 -0.014 0.000 1.023 91 N CA 0.001 53.043 53.050 -0.014 0.000 0.902 91 N CB 1.661 40.138 38.487 -0.018 0.000 1.267 91 N HN 0.771 nan 8.380 nan 0.000 0.503 92 G N 2.482 111.275 108.800 -0.012 0.000 2.565 92 G HA2 -0.388 3.571 3.960 -0.002 0.000 0.295 92 G HA3 -0.388 3.571 3.960 -0.002 0.000 0.295 92 G C 0.274 175.167 174.900 -0.012 0.000 1.165 92 G CA 0.114 45.207 45.100 -0.011 0.000 0.977 92 G HN 0.564 nan 8.290 nan 0.000 0.546 93 N N 1.465 120.156 118.700 -0.014 0.000 2.214 93 N HA 0.229 4.967 4.740 -0.002 0.000 0.214 93 N C -0.041 175.458 175.510 -0.019 0.000 1.132 93 N CA 0.750 53.790 53.050 -0.016 0.000 0.856 93 N CB 0.741 39.218 38.487 -0.016 0.000 1.020 93 N HN 0.488 nan 8.380 nan 0.000 0.509 94 T N 1.583 116.124 114.554 -0.020 0.000 2.767 94 T HA 0.459 4.808 4.350 -0.002 0.000 0.284 94 T C 0.332 175.019 174.700 -0.021 0.000 0.973 94 T CA -0.362 61.722 62.100 -0.025 0.000 0.996 94 T CB 1.340 70.191 68.868 -0.029 0.000 0.927 94 T HN -0.053 nan 8.240 nan 0.000 0.456 95 L N 3.151 124.362 121.223 -0.020 0.000 2.307 95 L HA 0.445 4.784 4.340 -0.002 0.000 0.284 95 L C 0.427 177.287 176.870 -0.017 0.000 1.023 95 L CA -0.796 54.039 54.840 -0.009 0.000 0.810 95 L CB 1.341 43.405 42.059 0.010 0.000 1.231 95 L HN 0.541 nan 8.230 nan 0.000 0.423 96 T N 4.694 119.237 114.554 -0.018 0.000 2.738 96 T HA 0.567 4.916 4.350 -0.002 0.000 0.298 96 T C -0.036 174.649 174.700 -0.024 0.000 0.962 96 T CA -0.119 61.964 62.100 -0.029 0.000 0.972 96 T CB 0.283 69.131 68.868 -0.033 0.000 0.928 96 T HN 0.269 nan 8.240 nan 0.000 0.474 97 I N 2.109 122.656 120.570 -0.037 0.000 2.474 97 I HA 0.436 4.605 4.170 -0.002 0.000 0.294 97 I C 0.270 176.308 176.117 -0.131 0.000 1.005 97 I CA -0.811 60.450 61.300 -0.065 0.000 1.113 97 I CB 2.058 40.032 38.000 -0.042 0.000 1.289 97 I HN 0.441 nan 8.210 nan 0.000 0.436 98 S N 6.805 122.412 115.700 -0.154 0.000 2.438 98 S HA 0.581 5.050 4.470 -0.002 0.000 0.316 98 S C -0.537 173.865 174.600 -0.330 0.000 1.084 98 S CA -0.640 57.438 58.200 -0.203 0.000 1.107 98 S CB 0.252 63.387 63.200 -0.109 0.000 0.981 98 S HN 0.327 nan 8.310 nan 0.000 0.466 99 I N 3.503 123.713 120.570 -0.601 0.000 2.460 99 I HA 0.523 4.692 4.170 -0.002 0.000 0.298 99 I C 0.479 176.229 176.117 -0.611 0.000 0.989 99 I CA -0.466 60.422 61.300 -0.686 0.000 1.173 99 I CB 1.462 38.832 38.000 -1.050 0.000 1.338 99 I HN 0.574 nan 8.210 nan 0.000 0.456 100 S N 3.279 118.773 115.700 -0.344 0.000 2.569 100 S HA 0.766 5.234 4.470 -0.002 0.000 0.280 100 S C -0.576 173.761 174.600 -0.438 0.000 1.111 100 S CA -0.398 57.644 58.200 -0.263 0.000 0.887 100 S CB 1.629 64.700 63.200 -0.215 0.000 1.095 100 S HN 0.760 nan 8.310 nan 0.000 0.476 101 S N 2.759 118.110 115.700 -0.582 0.000 2.600 101 S HA 0.796 5.264 4.470 -0.002 0.000 0.300 101 S C -3.114 171.039 174.600 -0.744 0.000 1.087 101 S CA -1.493 55.962 58.200 -1.241 0.000 0.965 101 S CB 1.624 63.942 63.200 -1.469 0.000 1.089 101 S HN 0.564 nan 8.310 nan 0.000 0.496 102 P HA 0.293 nan 4.420 nan 0.000 0.277 102 P C 0.468 177.636 177.300 -0.220 0.000 1.240 102 P CA -0.419 62.473 63.100 -0.347 0.000 0.798 102 P CB 0.974 32.535 31.700 -0.232 0.000 0.979 103 A N 2.349 125.101 122.820 -0.113 0.000 2.121 103 A HA -0.103 4.216 4.320 -0.002 0.000 0.218 103 A C 1.748 179.341 177.584 0.015 0.000 1.154 103 A CA 1.735 53.751 52.037 -0.035 0.000 0.679 103 A CB -1.186 17.808 19.000 -0.011 0.000 0.795 103 A HN 0.633 nan 8.150 nan 0.000 0.458 104 S N -0.989 114.714 115.700 0.005 0.000 2.582 104 S HA 0.607 5.075 4.470 -0.002 0.000 0.234 104 S C 0.659 175.301 174.600 0.070 0.000 0.961 104 S CA 0.167 58.399 58.200 0.054 0.000 0.953 104 S CB -0.435 62.797 63.200 0.052 0.000 0.800 104 S HN 0.745 nan 8.310 nan 0.000 0.471 105 A N 2.708 125.551 122.820 0.040 0.000 2.462 105 A HA 0.567 4.886 4.320 -0.002 0.000 0.243 105 A C -2.581 175.091 177.584 0.147 0.000 1.076 105 A CA -1.293 50.824 52.037 0.134 0.000 0.773 105 A CB -0.366 18.680 19.000 0.076 0.000 1.010 105 A HN 0.330 nan 8.150 nan 0.000 0.493 106 P HA 0.249 nan 4.420 nan 0.000 0.271 106 P C -0.105 177.293 177.300 0.164 0.000 1.216 106 P CA -0.023 63.164 63.100 0.146 0.000 0.776 106 P CB 0.463 32.252 31.700 0.149 0.000 0.881 107 I N -0.429 120.109 120.570 -0.053 0.000 2.970 107 I HA 0.840 5.008 4.170 -0.002 0.000 0.310 107 I C 0.691 176.833 176.117 0.041 0.000 1.010 107 I CA -0.263 60.993 61.300 -0.074 0.000 1.228 107 I CB 0.607 38.344 38.000 -0.438 0.000 1.433 107 I HN 0.610 nan 8.210 nan 0.000 0.573 108 G N 2.820 111.661 108.800 0.068 0.000 2.293 108 G HA2 0.030 3.989 3.960 -0.002 0.000 0.282 108 G HA3 0.030 3.989 3.960 -0.002 0.000 0.282 108 G C -1.108 173.802 174.900 0.017 0.000 1.299 108 G CA -1.076 44.026 45.100 0.004 0.000 1.018 108 G HN 0.811 nan 8.290 nan 0.000 0.478 109 R N -0.277 120.159 120.500 -0.106 0.000 2.254 109 R HA 0.583 4.921 4.340 -0.002 0.000 0.318 109 R C -1.064 175.064 176.300 -0.287 0.000 1.031 109 R CA -0.189 55.817 56.100 -0.156 0.000 0.905 109 R CB 0.821 31.027 30.300 -0.155 0.000 1.050 109 R HN 0.450 nan 8.270 nan 0.000 0.456 110 Y N -0.038 119.924 120.300 -0.564 0.000 2.549 110 Y HA 0.366 4.915 4.550 -0.002 0.000 0.339 110 Y C 0.477 176.042 175.900 -0.558 0.000 1.053 110 Y CA -0.554 57.155 58.100 -0.652 0.000 1.105 110 Y CB 2.500 40.258 38.460 -1.170 0.000 1.258 110 Y HN 0.413 nan 8.280 nan 0.000 0.478 111 T N 3.379 117.858 114.554 -0.126 0.000 2.863 111 T HA 0.535 4.884 4.350 -0.002 0.000 0.285 111 T C -1.076 173.728 174.700 0.174 0.000 1.009 111 T CA -0.725 61.375 62.100 0.000 0.000 0.989 111 T CB 0.979 69.842 68.868 -0.009 0.000 1.004 111 T HN 0.534 nan 8.240 nan 0.000 0.455 112 M N 2.927 122.709 119.600 0.302 0.000 2.321 112 M HA 0.744 5.223 4.480 -0.002 0.000 0.315 112 M C -1.314 175.151 176.300 0.275 0.000 1.052 112 M CA -0.606 54.933 55.300 0.398 0.000 0.936 112 M CB 1.159 34.166 32.600 0.677 0.000 1.639 112 M HN 0.762 nan 8.290 nan 0.000 0.433 113 A N 3.924 126.842 122.820 0.163 0.000 2.435 113 A HA 0.921 5.239 4.320 -0.002 0.000 0.296 113 A C -2.068 175.491 177.584 -0.041 0.000 1.147 113 A CA -0.735 51.340 52.037 0.063 0.000 0.775 113 A CB 1.838 20.850 19.000 0.020 0.000 1.340 113 A HN 0.800 nan 8.150 nan 0.000 0.427 114 L N 0.130 121.280 121.223 -0.122 0.000 2.409 114 L HA 0.544 4.883 4.340 -0.002 0.000 0.272 114 L C -0.434 176.304 176.870 -0.220 0.000 0.980 114 L CA -0.044 54.627 54.840 -0.281 0.000 0.826 114 L CB 1.979 43.823 42.059 -0.358 0.000 1.268 114 L HN 0.819 nan 8.230 nan 0.000 0.407 115 Q N 4.722 124.386 119.800 -0.227 0.000 2.293 115 Q HA 0.629 4.968 4.340 -0.002 0.000 0.261 115 Q C -1.538 174.348 176.000 -0.190 0.000 0.960 115 Q CA -0.540 55.143 55.803 -0.200 0.000 0.882 115 Q CB 1.458 30.103 28.738 -0.155 0.000 1.275 115 Q HN 0.750 nan 8.270 nan 0.000 0.445 116 I N 3.897 124.325 120.570 -0.236 0.000 2.433 116 I HA 0.318 4.487 4.170 -0.002 0.000 0.292 116 I C -1.050 174.929 176.117 -0.230 0.000 1.001 116 I CA -0.750 60.462 61.300 -0.146 0.000 1.119 116 I CB 1.323 39.253 38.000 -0.117 0.000 1.289 116 I HN 0.603 nan 8.210 nan 0.000 0.438 117 F N 4.755 124.670 119.950 -0.059 0.000 2.334 117 F HA 0.450 4.976 4.527 -0.002 0.000 0.367 117 F C 0.494 176.273 175.800 -0.034 0.000 1.115 117 F CA -0.195 57.781 58.000 -0.040 0.000 1.116 117 F CB 1.387 40.368 39.000 -0.031 0.000 1.230 117 F HN 0.312 nan 8.300 nan 0.000 0.484 118 S N 2.602 118.346 115.700 0.074 0.000 2.536 118 S HA 0.307 4.776 4.470 -0.002 0.000 0.271 118 S C -0.698 173.916 174.600 0.025 0.000 1.134 118 S CA -0.599 57.629 58.200 0.045 0.000 0.897 118 S CB 1.081 64.288 63.200 0.011 0.000 1.094 118 S HN 0.691 nan 8.310 nan 0.000 0.473 119 Q N 2.231 122.047 119.800 0.027 0.000 2.435 119 Q HA -0.225 4.114 4.340 -0.002 0.000 0.312 119 Q C 0.956 176.966 176.000 0.017 0.000 1.333 119 Q CA 0.953 56.765 55.803 0.016 0.000 0.883 119 Q CB -2.020 26.720 28.738 0.004 0.000 1.170 119 Q HN 1.723 nan 8.270 nan 0.000 0.443 120 G N -2.243 106.578 108.800 0.035 0.000 2.168 120 G HA2 -0.287 3.671 3.960 -0.002 0.000 0.263 120 G HA3 -0.287 3.671 3.960 -0.002 0.000 0.263 120 G C 0.343 175.256 174.900 0.022 0.000 0.977 120 G CA 0.328 45.450 45.100 0.036 0.000 0.659 120 G HN 0.954 nan 8.290 nan 0.000 0.533 121 G N -1.206 107.595 108.800 0.002 0.000 2.816 121 G HA2 0.781 4.740 3.960 -0.002 0.000 0.288 121 G HA3 0.781 4.740 3.960 -0.002 0.000 0.288 121 G C -0.891 173.941 174.900 -0.114 0.000 1.334 121 G CA -0.990 44.084 45.100 -0.042 0.000 0.978 121 G HN 0.664 nan 8.290 nan 0.000 0.493 122 I N 0.674 121.137 120.570 -0.178 0.000 2.619 122 I HA 0.460 4.628 4.170 -0.002 0.000 0.292 122 I C -0.146 175.830 176.117 -0.236 0.000 1.100 122 I CA -0.743 60.358 61.300 -0.331 0.000 1.043 122 I CB 2.549 40.279 38.000 -0.451 0.000 1.239 122 I HN 0.627 nan 8.210 nan 0.000 0.420 123 S N 3.137 118.691 115.700 -0.243 0.000 2.634 123 S HA 0.812 5.281 4.470 -0.002 0.000 0.296 123 S C -0.798 173.695 174.600 -0.178 0.000 1.104 123 S CA -0.744 57.356 58.200 -0.167 0.000 0.920 123 S CB 2.197 65.322 63.200 -0.124 0.000 1.111 123 S HN 0.566 nan 8.310 nan 0.000 0.493 124 S N 0.217 115.839 115.700 -0.130 0.000 2.572 124 S HA 0.709 5.177 4.470 -0.002 0.000 0.274 124 S C -1.655 172.896 174.600 -0.081 0.000 1.150 124 S CA -0.520 57.610 58.200 -0.117 0.000 0.944 124 S CB 1.344 64.479 63.200 -0.108 0.000 1.071 124 S HN 1.450 nan 8.310 nan 0.000 0.479 125 V N 4.908 124.778 119.914 -0.073 0.000 2.971 125 V HA 0.623 4.742 4.120 -0.002 0.000 0.309 125 V C -0.788 175.299 176.094 -0.011 0.000 1.130 125 V CA -0.891 61.385 62.300 -0.040 0.000 0.964 125 V CB 2.006 33.804 31.823 -0.041 0.000 1.029 125 V HN 0.967 nan 8.190 nan 0.000 0.427 126 K N 4.703 125.115 120.400 0.020 0.000 2.322 126 K HA 0.394 4.713 4.320 -0.002 0.000 0.283 126 K C 0.236 176.904 176.600 0.113 0.000 1.042 126 K CA -0.319 56.007 56.287 0.065 0.000 0.958 126 K CB 1.138 33.675 32.500 0.061 0.000 0.984 126 K HN 0.775 nan 8.250 nan 0.000 0.473 127 L N 2.649 123.989 121.223 0.195 0.000 2.200 127 L HA 0.256 4.595 4.340 -0.002 0.000 0.200 127 L C 1.191 178.357 176.870 0.492 0.000 1.072 127 L CA 0.720 55.739 54.840 0.298 0.000 0.787 127 L CB 0.122 42.389 42.059 0.347 0.000 0.957 127 L HN 0.996 nan 8.230 nan 0.000 0.459 128 G N -0.922 108.160 108.800 0.469 0.000 2.336 128 G HA2 0.318 4.277 3.960 -0.002 0.000 0.286 128 G HA3 0.318 4.277 3.960 -0.002 0.000 0.286 128 G C -1.261 173.730 174.900 0.151 0.000 1.269 128 G CA 0.056 45.350 45.100 0.325 0.000 0.873 128 G HN 0.023 nan 8.290 nan 0.000 0.494 129 T N -1.957 112.573 114.554 -0.041 0.000 2.901 129 T HA 0.908 5.257 4.350 -0.002 0.000 0.293 129 T C -0.723 173.907 174.700 -0.116 0.000 1.084 129 T CA -0.278 61.777 62.100 -0.074 0.000 1.008 129 T CB 2.163 70.970 68.868 -0.101 0.000 1.170 129 T HN 1.990 nan 8.240 nan 0.000 0.509 130 F N -1.226 118.609 119.950 -0.191 0.000 2.741 130 F HA 0.809 5.334 4.527 -0.002 0.000 0.313 130 F C -2.079 173.665 175.800 -0.094 0.000 1.153 130 F CA -1.763 56.092 58.000 -0.241 0.000 0.931 130 F CB 0.936 39.723 39.000 -0.355 0.000 1.335 130 F HN 0.613 nan 8.300 nan 0.000 0.460 131 I N 2.852 123.444 120.570 0.037 0.000 2.441 131 I HA 0.445 4.614 4.170 -0.002 0.000 0.295 131 I C -1.098 175.084 176.117 0.109 0.000 0.994 131 I CA -0.883 60.416 61.300 -0.003 0.000 1.144 131 I CB 1.942 39.898 38.000 -0.073 0.000 1.314 131 I HN 0.528 nan 8.210 nan 0.000 0.445 132 L N 7.104 128.400 121.223 0.122 0.000 2.333 132 L HA 0.601 4.939 4.340 -0.002 0.000 0.280 132 L C -0.846 176.049 176.870 0.041 0.000 1.004 132 L CA -0.543 54.364 54.840 0.112 0.000 0.820 132 L CB 1.651 43.778 42.059 0.115 0.000 1.247 132 L HN 0.517 nan 8.230 nan 0.000 0.416 133 L N 2.276 123.524 121.223 0.041 0.000 2.271 133 L HA 0.532 4.871 4.340 -0.002 0.000 0.265 133 L C -0.607 176.290 176.870 0.045 0.000 1.013 133 L CA -0.899 53.960 54.840 0.031 0.000 0.820 133 L CB 1.571 43.724 42.059 0.156 0.000 1.352 133 L HN 0.267 nan 8.230 nan 0.000 0.443 134 F N 0.494 120.557 119.950 0.187 0.000 2.496 134 F HA 0.093 4.618 4.527 -0.002 0.000 0.344 134 F C 0.830 176.783 175.800 0.257 0.000 1.155 134 F CA 0.166 58.280 58.000 0.191 0.000 1.302 134 F CB 0.162 39.267 39.000 0.175 0.000 1.159 134 F HN 0.336 nan 8.300 nan 0.000 0.595 135 N N 3.192 122.169 118.700 0.462 0.000 2.776 135 N HA 0.309 5.048 4.740 -0.002 0.000 0.245 135 N C -2.325 173.462 175.510 0.462 0.000 1.121 135 N CA -2.166 51.160 53.050 0.461 0.000 0.852 135 N CB 1.127 39.808 38.487 0.323 0.000 1.142 135 N HN 0.071 nan 8.380 nan 0.000 0.514 136 P HA 0.030 nan 4.420 nan 0.000 0.230 136 P C 0.958 178.299 177.300 0.068 0.000 1.158 136 P CA 0.693 63.863 63.100 0.117 0.000 0.769 136 P CB 0.147 31.720 31.700 -0.212 0.000 0.807 137 W N -1.188 120.230 121.300 0.198 0.000 2.863 137 W HA 0.200 4.859 4.660 -0.002 0.000 0.258 137 W C 0.573 177.279 176.519 0.313 0.000 1.298 137 W CA -0.038 57.425 57.345 0.197 0.000 1.451 137 W CB 0.145 29.636 29.460 0.051 0.000 1.107 137 W HN -0.065 nan 8.180 nan 0.000 0.641 138 L N 3.484 124.985 121.223 0.464 0.000 2.260 138 L HA 0.023 4.362 4.340 -0.002 0.000 0.289 138 L C 1.381 178.171 176.870 -0.134 0.000 1.057 138 L CA -0.161 54.785 54.840 0.175 0.000 0.811 138 L CB 0.938 43.077 42.059 0.133 0.000 1.184 138 L HN -0.029 nan 8.230 nan 0.000 0.429 139 N N 3.910 122.201 118.700 -0.682 0.000 2.192 139 N HA -0.214 4.525 4.740 -0.002 0.000 0.188 139 N C 1.105 176.256 175.510 -0.599 0.000 1.013 139 N CA 1.999 54.197 53.050 -1.421 0.000 0.863 139 N CB -0.681 37.259 38.487 -0.912 0.000 0.990 139 N HN 0.500 nan 8.380 nan 0.000 0.430 140 V N -3.975 115.785 119.914 -0.257 0.000 3.541 140 V HA 0.104 4.223 4.120 -0.002 0.000 0.267 140 V C 0.596 176.692 176.094 0.002 0.000 1.213 140 V CA 0.071 62.310 62.300 -0.101 0.000 1.149 140 V CB -0.733 31.047 31.823 -0.072 0.000 0.822 140 V HN 0.049 nan 8.190 nan 0.000 0.462 141 D N 1.728 122.163 120.400 0.060 0.000 2.382 141 D HA 0.092 4.731 4.640 -0.002 0.000 0.245 141 D C 1.565 177.977 176.300 0.187 0.000 1.120 141 D CA 0.997 55.090 54.000 0.155 0.000 0.890 141 D CB 2.089 43.029 40.800 0.233 0.000 1.201 141 D HN 0.415 nan 8.370 nan 0.000 0.433 142 S N 1.651 117.450 115.700 0.165 0.000 2.442 142 S HA -0.175 4.293 4.470 -0.002 0.000 0.236 142 S C 1.760 176.457 174.600 0.161 0.000 1.007 142 S CA 1.144 59.424 58.200 0.134 0.000 0.965 142 S CB -0.529 62.725 63.200 0.090 0.000 0.773 142 S HN 0.461 nan 8.310 nan 0.000 0.504 143 V N -2.142 117.891 119.914 0.198 0.000 3.633 143 V HA 0.436 4.554 4.120 -0.002 0.000 0.283 143 V C 0.523 176.811 176.094 0.324 0.000 1.305 143 V CA -0.950 61.486 62.300 0.227 0.000 1.153 143 V CB -1.755 30.146 31.823 0.131 0.000 0.950 143 V HN 0.317 nan 8.190 nan 0.000 0.432 144 F N 2.565 122.618 119.950 0.171 0.000 2.623 144 F HA 0.325 4.850 4.527 -0.002 0.000 0.386 144 F C 0.129 176.062 175.800 0.221 0.000 1.068 144 F CA 0.071 58.158 58.000 0.145 0.000 1.265 144 F CB 0.477 39.545 39.000 0.113 0.000 1.026 144 F HN 0.284 nan 8.300 nan 0.000 0.568 145 M N 6.947 126.076 119.600 -0.786 0.000 2.060 145 M HA 0.331 4.810 4.480 -0.002 0.000 0.275 145 M C 0.600 176.194 176.300 -1.177 0.000 0.919 145 M CA -0.196 54.556 55.300 -0.913 0.000 0.970 145 M CB 1.253 33.361 32.600 -0.819 0.000 1.670 145 M HN 0.741 nan 8.290 nan 0.000 0.440 146 G N 3.354 111.408 108.800 -1.242 0.000 2.422 146 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.218 146 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.218 146 G C 0.596 175.299 174.900 -0.329 0.000 1.140 146 G CA 0.103 44.772 45.100 -0.718 0.000 0.775 146 G HN 0.698 nan 8.290 nan 0.000 0.545 147 N N -0.044 118.456 118.700 -0.333 0.000 2.470 147 N HA 0.019 4.757 4.740 -0.002 0.000 0.268 147 N C 1.039 176.428 175.510 -0.202 0.000 1.136 147 N CA -0.226 52.705 53.050 -0.198 0.000 0.961 147 N CB 0.949 39.326 38.487 -0.184 0.000 1.067 147 N HN 0.264 nan 8.380 nan 0.000 0.468 148 H N 4.406 123.375 119.070 -0.168 0.000 2.290 148 H HA -0.090 4.465 4.556 -0.002 0.000 0.298 148 H C 1.767 177.003 175.328 -0.154 0.000 1.087 148 H CA 2.712 58.673 56.048 -0.146 0.000 1.291 148 H CB 0.025 29.750 29.762 -0.063 0.000 1.369 148 H HN 0.729 nan 8.280 nan 0.000 0.492 149 A N 0.658 123.390 122.820 -0.147 0.000 1.883 149 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 149 A C 2.263 179.658 177.584 -0.314 0.000 1.186 149 A CA 1.998 53.914 52.037 -0.202 0.000 0.624 149 A CB -0.580 18.373 19.000 -0.079 0.000 0.822 149 A HN 0.723 nan 8.150 nan 0.000 0.444 150 E N -0.922 119.100 120.200 -0.296 0.000 2.072 150 E HA -0.194 4.155 4.350 -0.002 0.000 0.191 150 E C 2.327 178.692 176.600 -0.391 0.000 0.985 150 E CA 1.098 57.283 56.400 -0.359 0.000 0.801 150 E CB -0.216 29.380 29.700 -0.173 0.000 0.750 150 E HN 0.600 nan 8.360 nan 0.000 0.452 151 R N 1.041 121.299 120.500 -0.402 0.000 2.091 151 R HA -0.180 4.159 4.340 -0.002 0.000 0.238 151 R C 1.997 178.072 176.300 -0.374 0.000 1.136 151 R CA 1.328 57.157 56.100 -0.452 0.000 0.959 151 R CB 0.050 29.945 30.300 -0.674 0.000 0.856 151 R HN 0.088 nan 8.270 nan 0.000 0.437 152 E N 0.465 120.423 120.200 -0.404 0.000 2.077 152 E HA -0.229 4.120 4.350 -0.002 0.000 0.193 152 E C 1.802 178.292 176.600 -0.183 0.000 0.989 152 E CA 1.420 57.663 56.400 -0.263 0.000 0.800 152 E CB -0.100 29.404 29.700 -0.326 0.000 0.746 152 E HN 0.414 nan 8.360 nan 0.000 0.452 153 E N 0.079 120.091 120.200 -0.314 0.000 2.046 153 E HA -0.148 4.201 4.350 -0.002 0.000 0.190 153 E C 1.556 178.015 176.600 -0.234 0.000 0.982 153 E CA 1.014 57.212 56.400 -0.336 0.000 0.800 153 E CB -0.286 29.039 29.700 -0.625 0.000 0.756 153 E HN 0.233 nan 8.360 nan 0.000 0.449 154 Y N -0.773 119.500 120.300 -0.045 0.000 2.583 154 Y HA 0.135 4.684 4.550 -0.002 0.000 0.293 154 Y C 1.588 177.471 175.900 -0.029 0.000 1.157 154 Y CA 0.221 58.312 58.100 -0.015 0.000 1.315 154 Y CB 0.296 38.791 38.460 0.059 0.000 1.021 154 Y HN -0.009 nan 8.280 nan 0.000 0.536 155 V N -1.864 118.095 119.914 0.074 0.000 3.102 155 V HA -0.023 4.095 4.120 -0.002 0.000 0.225 155 V C 1.669 177.868 176.094 0.176 0.000 1.301 155 V CA 0.338 62.699 62.300 0.102 0.000 1.308 155 V CB 0.056 31.907 31.823 0.046 0.000 1.129 155 V HN 0.005 nan 8.190 nan 0.000 0.502 156 Q N 0.530 120.447 119.800 0.195 0.000 2.389 156 Q HA 0.062 4.401 4.340 -0.002 0.000 0.204 156 Q C 0.754 176.962 176.000 0.348 0.000 0.944 156 Q CA 0.360 56.366 55.803 0.338 0.000 0.908 156 Q CB 0.109 28.988 28.738 0.235 0.000 1.002 156 Q HN 0.563 nan 8.270 nan 0.000 0.493 157 E N 2.626 122.948 120.200 0.204 0.000 2.223 157 E HA -0.001 4.348 4.350 -0.002 0.000 0.282 157 E C -0.189 176.588 176.600 0.296 0.000 1.046 157 E CA -0.119 56.413 56.400 0.220 0.000 0.857 157 E CB 0.617 30.400 29.700 0.138 0.000 1.055 157 E HN 0.077 nan 8.360 nan 0.000 0.409 158 D N 2.872 123.479 120.400 0.345 0.000 2.363 158 D HA 0.171 4.810 4.640 -0.002 0.000 0.214 158 D C -0.348 176.139 176.300 0.312 0.000 1.093 158 D CA -0.300 53.902 54.000 0.337 0.000 0.837 158 D CB 0.240 41.213 40.800 0.288 0.000 0.948 158 D HN 0.249 nan 8.370 nan 0.000 0.507 159 A N -0.066 122.911 122.820 0.260 0.000 2.330 159 A HA 0.758 5.076 4.320 -0.002 0.000 0.313 159 A C 0.148 177.790 177.584 0.096 0.000 1.124 159 A CA -0.261 51.819 52.037 0.072 0.000 0.774 159 A CB 1.717 20.747 19.000 0.049 0.000 1.198 159 A HN 0.232 nan 8.150 nan 0.000 0.465 160 G N 0.546 109.249 108.800 -0.162 0.000 2.949 160 G HA2 0.663 4.622 3.960 -0.002 0.000 0.285 160 G HA3 0.663 4.622 3.960 -0.002 0.000 0.285 160 G C -1.354 173.502 174.900 -0.074 0.000 1.395 160 G CA -0.545 44.559 45.100 0.006 0.000 0.901 160 G HN 0.520 nan 8.290 nan 0.000 0.519 161 I N 0.393 120.953 120.570 -0.017 0.000 2.582 161 I HA 0.480 4.649 4.170 -0.002 0.000 0.292 161 I C -0.772 175.214 176.117 -0.219 0.000 1.066 161 I CA -0.615 60.578 61.300 -0.178 0.000 1.053 161 I CB 1.761 39.594 38.000 -0.279 0.000 1.241 161 I HN 0.314 nan 8.210 nan 0.000 0.421 162 I N 5.298 125.676 120.570 -0.319 0.000 2.436 162 I HA 0.359 4.528 4.170 -0.002 0.000 0.289 162 I C -0.764 175.067 176.117 -0.477 0.000 1.010 162 I CA -0.602 60.534 61.300 -0.273 0.000 1.098 162 I CB 1.820 39.722 38.000 -0.164 0.000 1.266 162 I HN 0.231 nan 8.210 nan 0.000 0.434 163 F N 6.033 125.875 119.950 -0.180 0.000 2.412 163 F HA 0.510 5.035 4.527 -0.002 0.000 0.348 163 F C 0.652 176.188 175.800 -0.440 0.000 1.102 163 F CA -0.235 57.649 58.000 -0.194 0.000 1.196 163 F CB 1.153 40.128 39.000 -0.042 0.000 1.144 163 F HN 0.214 nan 8.300 nan 0.000 0.541 164 V N -0.548 119.157 119.914 -0.348 0.000 3.109 164 V HA 1.036 5.155 4.120 -0.002 0.000 0.311 164 V C 0.271 176.163 176.094 -0.337 0.000 1.389 164 V CA -0.266 61.477 62.300 -0.929 0.000 1.034 164 V CB 0.944 32.189 31.823 -0.963 0.000 1.105 164 V HN 1.280 nan 8.190 nan 0.000 0.477 165 G N 0.512 109.154 108.800 -0.264 0.000 2.603 165 G HA2 0.204 4.162 3.960 -0.002 0.000 0.245 165 G HA3 0.204 4.162 3.960 -0.002 0.000 0.245 165 G C 0.184 175.341 174.900 0.429 0.000 1.195 165 G CA 0.599 45.781 45.100 0.137 0.000 0.953 165 G HN 2.659 nan 8.290 nan 0.000 0.566 166 S N -2.759 113.148 115.700 0.346 0.000 2.671 166 S HA 0.659 5.128 4.470 -0.002 0.000 0.277 166 S C 0.819 175.462 174.600 0.072 0.000 1.165 166 S CA 1.066 59.500 58.200 0.389 0.000 0.822 166 S CB 1.178 64.541 63.200 0.271 0.000 1.150 166 S HN 1.752 nan 8.310 nan 0.000 0.479 167 T N 0.842 115.477 114.554 0.135 0.000 2.929 167 T HA 0.024 4.372 4.350 -0.002 0.000 0.271 167 T C 0.882 175.558 174.700 -0.041 0.000 1.085 167 T CA 1.591 63.696 62.100 0.007 0.000 1.125 167 T CB -0.895 68.103 68.868 0.216 0.000 0.874 167 T HN 0.560 nan 8.240 nan 0.000 0.494 168 N N 0.824 119.520 118.700 -0.007 0.000 2.299 168 N HA 0.131 4.870 4.740 -0.002 0.000 0.187 168 N C 0.562 176.028 175.510 -0.072 0.000 1.099 168 N CA 0.190 53.226 53.050 -0.023 0.000 0.867 168 N CB 0.482 38.985 38.487 0.028 0.000 0.974 168 N HN 0.387 nan 8.380 nan 0.000 0.477 169 R N 0.803 121.244 120.500 -0.097 0.000 3.189 169 R HA 0.241 4.580 4.340 -0.002 0.000 0.222 169 R C -1.439 174.798 176.300 -0.105 0.000 1.735 169 R CA -0.245 55.799 56.100 -0.094 0.000 1.129 169 R CB -0.247 30.035 30.300 -0.029 0.000 1.549 169 R HN -0.091 nan 8.270 nan 0.000 0.525 170 I N 3.025 123.466 120.570 -0.214 0.000 2.533 170 I HA 0.266 4.435 4.170 -0.002 0.000 0.284 170 I C 1.052 177.153 176.117 -0.027 0.000 1.109 170 I CA 0.379 61.575 61.300 -0.174 0.000 1.412 170 I CB 1.179 38.977 38.000 -0.337 0.000 1.396 170 I HN 0.644 nan 8.210 nan 0.000 0.543 171 G N 6.370 115.183 108.800 0.022 0.000 3.013 171 G HA2 0.894 4.852 3.960 -0.002 0.000 0.278 171 G HA3 0.894 4.852 3.960 -0.002 0.000 0.278 171 G C -0.896 173.970 174.900 -0.056 0.000 1.353 171 G CA -0.844 44.243 45.100 -0.021 0.000 1.043 171 G HN 0.615 nan 8.290 nan 0.000 0.523 172 M N -0.958 118.540 119.600 -0.169 0.000 2.520 172 M HA 0.759 5.237 4.480 -0.002 0.000 0.280 172 M C -1.279 174.849 176.300 -0.285 0.000 1.232 172 M CA -0.973 54.119 55.300 -0.346 0.000 0.892 172 M CB 2.406 34.684 32.600 -0.536 0.000 1.728 172 M HN 0.606 nan 8.290 nan 0.000 0.475 173 I N -0.726 119.659 120.570 -0.308 0.000 2.730 173 I HA 0.960 5.129 4.170 -0.002 0.000 0.298 173 I C -0.137 175.898 176.117 -0.136 0.000 1.089 173 I CA -0.974 60.211 61.300 -0.191 0.000 1.041 173 I CB 2.149 40.042 38.000 -0.178 0.000 1.235 173 I HN 0.872 nan 8.210 nan 0.000 0.423 174 G N 3.606 112.358 108.800 -0.081 0.000 2.476 174 G HA2 0.342 4.301 3.960 -0.002 0.000 0.269 174 G HA3 0.342 4.301 3.960 -0.002 0.000 0.269 174 G C -1.660 173.253 174.900 0.022 0.000 1.195 174 G CA -0.408 44.652 45.100 -0.066 0.000 0.843 174 G HN 0.774 nan 8.290 nan 0.000 0.545 175 W N 2.423 123.550 121.300 -0.289 0.000 3.097 175 W HA 0.322 4.980 4.660 -0.002 0.000 0.335 175 W C -1.257 174.948 176.519 -0.522 0.000 1.114 175 W CA -0.985 56.145 57.345 -0.359 0.000 1.231 175 W CB 2.095 31.305 29.460 -0.416 0.000 1.388 175 W HN 0.507 nan 8.180 nan 0.000 0.485 176 N N 4.458 122.732 118.700 -0.709 0.000 2.469 176 N HA 0.180 4.919 4.740 -0.002 0.000 0.239 176 N C 0.318 175.635 175.510 -0.320 0.000 1.053 176 N CA -0.089 52.698 53.050 -0.438 0.000 0.937 176 N CB 0.030 38.324 38.487 -0.321 0.000 1.163 176 N HN 0.311 nan 8.380 nan 0.000 0.509 177 F N 2.185 122.201 119.950 0.110 0.000 2.206 177 F HA 0.118 4.644 4.527 -0.002 0.000 0.298 177 F C 2.078 177.904 175.800 0.043 0.000 1.090 177 F CA 0.396 58.498 58.000 0.169 0.000 1.323 177 F CB -0.182 38.906 39.000 0.148 0.000 1.028 177 F HN 0.644 nan 8.300 nan 0.000 0.492 178 G N 1.406 110.306 108.800 0.166 0.000 2.379 178 G HA2 -0.356 3.603 3.960 -0.002 0.000 0.297 178 G HA3 -0.356 3.603 3.960 -0.002 0.000 0.297 178 G C 1.153 176.073 174.900 0.033 0.000 1.004 178 G CA 0.701 45.854 45.100 0.087 0.000 0.921 178 G HN 0.533 nan 8.290 nan 0.000 0.511 179 Q N -1.043 118.686 119.800 -0.118 0.000 2.364 179 Q HA -0.074 4.265 4.340 -0.002 0.000 0.209 179 Q C 1.656 177.550 176.000 -0.176 0.000 0.977 179 Q CA 1.535 57.218 55.803 -0.199 0.000 0.885 179 Q CB -0.312 28.198 28.738 -0.380 0.000 0.941 179 Q HN 0.622 nan 8.270 nan 0.000 0.464 180 F N 1.450 121.473 119.950 0.122 0.000 2.776 180 F HA 0.268 4.793 4.527 -0.002 0.000 0.300 180 F C 0.783 176.673 175.800 0.150 0.000 1.116 180 F CA -0.429 57.623 58.000 0.086 0.000 1.375 180 F CB 0.075 39.023 39.000 -0.087 0.000 1.109 180 F HN -0.121 nan 8.300 nan 0.000 0.585 181 E N 1.490 121.837 120.200 0.245 0.000 2.404 181 E HA -0.063 4.286 4.350 -0.002 0.000 0.261 181 E C 0.264 176.968 176.600 0.175 0.000 1.074 181 E CA -0.192 56.316 56.400 0.181 0.000 0.917 181 E CB 0.287 30.059 29.700 0.120 0.000 0.965 181 E HN 0.322 nan 8.360 nan 0.000 0.433 182 E N 1.177 121.459 120.200 0.136 0.000 2.608 182 E HA -0.219 4.130 4.350 -0.002 0.000 0.259 182 E C -0.152 176.508 176.600 0.099 0.000 0.951 182 E CA 0.511 56.980 56.400 0.114 0.000 0.945 182 E CB 0.163 29.912 29.700 0.082 0.000 0.916 182 E HN 0.468 nan 8.360 nan 0.000 0.477 183 D N 2.447 122.902 120.400 0.091 0.000 2.880 183 D HA -0.245 4.394 4.640 -0.002 0.000 0.198 183 D C 0.798 177.146 176.300 0.081 0.000 1.059 183 D CA 1.352 55.393 54.000 0.069 0.000 1.019 183 D CB -0.714 40.118 40.800 0.053 0.000 1.112 183 D HN 0.506 nan 8.370 nan 0.000 0.424 184 I N 0.149 120.785 120.570 0.111 0.000 2.179 184 I HA -0.181 3.988 4.170 -0.002 0.000 0.242 184 I C 2.585 178.764 176.117 0.103 0.000 1.088 184 I CA 0.994 62.363 61.300 0.115 0.000 1.357 184 I CB -1.120 36.958 38.000 0.130 0.000 1.051 184 I HN 0.261 nan 8.210 nan 0.000 0.409 185 L N 0.701 121.987 121.223 0.104 0.000 2.012 185 L HA -0.216 4.123 4.340 -0.002 0.000 0.210 185 L C 2.794 179.655 176.870 -0.016 0.000 1.073 185 L CA 2.212 57.056 54.840 0.007 0.000 0.748 185 L CB -1.020 40.905 42.059 -0.224 0.000 0.891 185 L HN 0.200 nan 8.230 nan 0.000 0.431 186 S N -0.699 114.994 115.700 -0.012 0.000 2.374 186 S HA -0.206 4.263 4.470 -0.002 0.000 0.227 186 S C 2.059 176.670 174.600 0.019 0.000 1.037 186 S CA 1.848 60.040 58.200 -0.014 0.000 1.024 186 S CB -0.502 62.692 63.200 -0.010 0.000 0.861 186 S HN 0.515 nan 8.310 nan 0.000 0.456 187 I N 0.724 121.330 120.570 0.060 0.000 2.252 187 I HA -0.182 3.987 4.170 -0.002 0.000 0.245 187 I C 2.520 178.723 176.117 0.145 0.000 1.102 187 I CA 0.875 62.248 61.300 0.122 0.000 1.385 187 I CB -0.507 37.594 38.000 0.167 0.000 1.064 187 I HN 0.424 nan 8.210 nan 0.000 0.414 188 C N 0.609 119.966 119.300 0.095 0.000 2.446 188 C HA -0.106 4.353 4.460 -0.002 0.000 0.277 188 C C 2.729 177.752 174.990 0.054 0.000 1.275 188 C CA 0.494 59.557 59.018 0.074 0.000 1.727 188 C CB -0.949 26.831 27.740 0.067 0.000 2.010 188 C HN 0.449 nan 8.230 nan 0.000 0.486 189 L N 1.623 122.863 121.223 0.027 0.000 2.083 189 L HA -0.144 4.194 4.340 -0.002 0.000 0.209 189 L C 2.783 179.642 176.870 -0.018 0.000 1.083 189 L CA 1.963 56.801 54.840 -0.004 0.000 0.752 189 L CB -0.665 41.373 42.059 -0.036 0.000 0.899 189 L HN 0.494 nan 8.230 nan 0.000 0.433 190 S N -0.007 115.696 115.700 0.005 0.000 2.419 190 S HA -0.154 4.315 4.470 -0.002 0.000 0.233 190 S C 1.904 176.526 174.600 0.036 0.000 1.016 190 S CA 0.829 59.022 58.200 -0.012 0.000 0.974 190 S CB -0.660 62.544 63.200 0.007 0.000 0.786 190 S HN 0.389 nan 8.310 nan 0.000 0.492 191 I N 1.417 122.061 120.570 0.123 0.000 2.264 191 I HA -0.169 4.000 4.170 -0.002 0.000 0.248 191 I C 2.281 178.414 176.117 0.026 0.000 1.111 191 I CA 1.224 62.612 61.300 0.146 0.000 1.382 191 I CB -0.449 37.580 38.000 0.048 0.000 1.060 191 I HN 0.322 nan 8.210 nan 0.000 0.418 192 L N 0.131 121.336 121.223 -0.030 0.000 2.191 192 L HA -0.189 4.150 4.340 -0.002 0.000 0.212 192 L C 1.252 177.972 176.870 -0.250 0.000 1.103 192 L CA 1.019 55.822 54.840 -0.061 0.000 0.769 192 L CB -0.549 41.498 42.059 -0.021 0.000 0.908 192 L HN 0.274 nan 8.230 nan 0.000 0.438 193 D N -0.264 119.870 120.400 -0.443 0.000 2.319 193 D HA 0.022 4.661 4.640 -0.002 0.000 0.230 193 D C 1.483 177.431 176.300 -0.587 0.000 1.094 193 D CA 0.314 53.666 54.000 -1.080 0.000 0.856 193 D CB 0.343 40.660 40.800 -0.805 0.000 0.915 193 D HN 0.195 nan 8.370 nan 0.000 0.517 194 R N -0.002 120.398 120.500 -0.167 0.000 2.531 194 R HA 0.106 4.445 4.340 -0.002 0.000 0.316 194 R C 0.751 177.131 176.300 0.133 0.000 0.955 194 R CA -0.037 56.092 56.100 0.048 0.000 1.120 194 R CB 0.423 30.805 30.300 0.137 0.000 1.361 194 R HN 0.092 nan 8.270 nan 0.000 0.534 195 S N -0.131 115.643 115.700 0.122 0.000 2.608 195 S HA 0.178 4.647 4.470 -0.002 0.000 0.261 195 S C 1.584 176.283 174.600 0.165 0.000 1.314 195 S CA -0.461 57.816 58.200 0.128 0.000 0.992 195 S CB 0.891 64.145 63.200 0.091 0.000 0.935 195 S HN 0.107 nan 8.310 nan 0.000 0.564 196 L N 1.054 122.346 121.223 0.117 0.000 2.093 196 L HA -0.113 4.225 4.340 -0.002 0.000 0.208 196 L C 2.591 179.535 176.870 0.123 0.000 1.085 196 L CA 1.142 56.047 54.840 0.108 0.000 0.755 196 L CB -0.775 41.327 42.059 0.071 0.000 0.904 196 L HN 0.725 nan 8.230 nan 0.000 0.435 197 N N -0.053 118.728 118.700 0.134 0.000 2.084 197 N HA -0.239 4.500 4.740 -0.002 0.000 0.190 197 N C 1.937 177.571 175.510 0.206 0.000 1.030 197 N CA 1.525 54.676 53.050 0.168 0.000 0.849 197 N CB -0.312 38.304 38.487 0.215 0.000 1.012 197 N HN 0.232 nan 8.380 nan 0.000 0.423 198 F N 2.447 122.457 119.950 0.100 0.000 2.146 198 F HA -0.035 4.491 4.527 -0.002 0.000 0.298 198 F C 2.522 178.370 175.800 0.080 0.000 1.096 198 F CA 1.158 59.216 58.000 0.096 0.000 1.275 198 F CB 0.016 39.067 39.000 0.085 0.000 1.008 198 F HN -0.161 nan 8.300 nan 0.000 0.480 199 R N -0.365 120.263 120.500 0.214 0.000 2.148 199 R HA -0.130 4.208 4.340 -0.002 0.000 0.227 199 R C 2.349 178.657 176.300 0.013 0.000 1.103 199 R CA 1.299 57.462 56.100 0.104 0.000 0.983 199 R CB -0.289 30.098 30.300 0.144 0.000 0.874 199 R HN 0.268 nan 8.270 nan 0.000 0.451 200 R N 0.204 120.719 120.500 0.025 0.000 2.062 200 R HA -0.066 4.272 4.340 -0.002 0.000 0.226 200 R C -0.076 176.203 176.300 -0.034 0.000 1.125 200 R CA 1.394 57.499 56.100 0.007 0.000 0.966 200 R CB 0.379 30.699 30.300 0.033 0.000 0.861 200 R HN -0.045 nan 8.270 nan 0.000 0.433 201 D N -1.277 119.089 120.400 -0.057 0.000 2.411 201 D HA 0.183 4.821 4.640 -0.002 0.000 0.239 201 D C -0.017 176.195 176.300 -0.147 0.000 1.307 201 D CA 0.075 54.021 54.000 -0.090 0.000 0.930 201 D CB 1.302 42.071 40.800 -0.052 0.000 1.395 201 D HN 0.209 nan 8.370 nan 0.000 0.536 202 A N 2.656 125.296 122.820 -0.300 0.000 1.908 202 A HA -0.043 4.275 4.320 -0.002 0.000 0.218 202 A C 2.179 179.681 177.584 -0.138 0.000 1.181 202 A CA 2.130 53.831 52.037 -0.561 0.000 0.627 202 A CB -0.425 18.091 19.000 -0.807 0.000 0.818 202 A HN 0.584 nan 8.150 nan 0.000 0.445 203 A N -1.106 121.715 122.820 0.002 0.000 1.883 203 A HA -0.120 4.198 4.320 -0.002 0.000 0.217 203 A C 2.329 179.911 177.584 -0.002 0.000 1.186 203 A CA 2.426 54.492 52.037 0.048 0.000 0.624 203 A CB -1.297 17.667 19.000 -0.059 0.000 0.822 203 A HN 0.448 nan 8.150 nan 0.000 0.444 204 T N -0.609 113.923 114.554 -0.038 0.000 2.857 204 T HA -0.099 4.250 4.350 -0.002 0.000 0.266 204 T C 1.655 176.319 174.700 -0.059 0.000 1.048 204 T CA 1.541 63.611 62.100 -0.051 0.000 1.139 204 T CB -0.378 68.459 68.868 -0.053 0.000 0.874 204 T HN 0.715 nan 8.240 nan 0.000 0.455 205 D N 0.907 121.320 120.400 0.022 0.000 2.097 205 D HA -0.101 4.537 4.640 -0.002 0.000 0.195 205 D C 2.018 178.404 176.300 0.143 0.000 0.989 205 D CA 0.892 54.978 54.000 0.144 0.000 0.827 205 D CB -0.199 40.800 40.800 0.332 0.000 0.966 205 D HN 0.157 nan 8.370 nan 0.000 0.456 206 V N 0.656 120.662 119.914 0.154 0.000 2.427 206 V HA -0.159 3.960 4.120 -0.002 0.000 0.248 206 V C 2.544 178.667 176.094 0.048 0.000 1.051 206 V CA 1.640 64.020 62.300 0.132 0.000 1.048 206 V CB -0.877 31.021 31.823 0.125 0.000 0.666 206 V HN 0.371 nan 8.190 nan 0.000 0.456 207 A N -0.367 122.458 122.820 0.008 0.000 2.015 207 A HA -0.153 4.166 4.320 -0.002 0.000 0.219 207 A C 2.326 179.875 177.584 -0.059 0.000 1.163 207 A CA 1.925 53.958 52.037 -0.008 0.000 0.646 207 A CB -0.461 18.530 19.000 -0.016 0.000 0.806 207 A HN 0.517 nan 8.150 nan 0.000 0.448 208 S N -0.611 114.977 115.700 -0.187 0.000 2.603 208 S HA 0.026 4.495 4.470 -0.002 0.000 0.220 208 S C 1.491 176.008 174.600 -0.137 0.000 0.967 208 S CA 0.125 58.090 58.200 -0.392 0.000 0.920 208 S CB -0.141 62.339 63.200 -1.200 0.000 0.773 208 S HN 0.590 nan 8.310 nan 0.000 0.529 209 R N 2.098 122.628 120.500 0.050 0.000 2.339 209 R HA 0.038 4.376 4.340 -0.002 0.000 0.199 209 R C 1.488 177.869 176.300 0.136 0.000 1.018 209 R CA 0.799 57.007 56.100 0.179 0.000 1.036 209 R CB -0.444 29.934 30.300 0.130 0.000 0.899 209 R HN 0.684 nan 8.270 nan 0.000 0.473 210 N N -0.443 118.327 118.700 0.116 0.000 2.412 210 N HA -0.080 4.659 4.740 -0.002 0.000 0.184 210 N C -0.177 175.489 175.510 0.260 0.000 1.101 210 N CA -0.097 53.034 53.050 0.135 0.000 0.881 210 N CB 0.302 38.854 38.487 0.108 0.000 0.969 210 N HN -0.080 nan 8.380 nan 0.000 0.459 211 D N 1.225 121.773 120.400 0.247 0.000 2.381 211 D HA 0.207 4.846 4.640 -0.002 0.000 0.235 211 D C -1.619 174.746 176.300 0.108 0.000 1.068 211 D CA -2.770 51.333 54.000 0.171 0.000 0.832 211 D CB 1.828 42.688 40.800 0.100 0.000 1.101 211 D HN -0.063 nan 8.370 nan 0.000 0.515 212 P HA -0.132 nan 4.420 nan 0.000 0.222 212 P C 0.820 177.599 177.300 -0.868 0.000 1.147 212 P CA 0.826 63.460 63.100 -0.777 0.000 0.790 212 P CB 0.542 31.453 31.700 -1.315 0.000 0.780 213 K N -0.977 119.043 120.400 -0.634 0.000 2.057 213 K HA -0.173 4.145 4.320 -0.002 0.000 0.207 213 K C 2.386 178.913 176.600 -0.122 0.000 1.049 213 K CA 1.330 57.446 56.287 -0.286 0.000 0.931 213 K CB -0.658 31.859 32.500 0.029 0.000 0.714 213 K HN 0.127 nan 8.250 nan 0.000 0.440 214 Y N 1.571 121.784 120.300 -0.146 0.000 2.153 214 Y HA -0.216 4.333 4.550 -0.002 0.000 0.289 214 Y C 2.056 177.919 175.900 -0.062 0.000 1.127 214 Y CA 1.064 59.113 58.100 -0.086 0.000 1.131 214 Y CB -0.269 38.183 38.460 -0.013 0.000 0.995 214 Y HN -0.263 nan 8.280 nan 0.000 0.505 215 V N 0.199 120.139 119.914 0.043 0.000 2.295 215 V HA -0.286 3.832 4.120 -0.002 0.000 0.246 215 V C 2.625 178.662 176.094 -0.095 0.000 1.049 215 V CA 1.972 64.276 62.300 0.008 0.000 1.024 215 V CB -1.659 30.303 31.823 0.231 0.000 0.648 215 V HN 0.633 nan 8.190 nan 0.000 0.447 216 G N -0.372 108.358 108.800 -0.116 0.000 2.446 216 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.217 216 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.217 216 G C 1.727 176.572 174.900 -0.092 0.000 1.168 216 G CA 1.127 46.196 45.100 -0.051 0.000 0.771 216 G HN 0.451 nan 8.290 nan 0.000 0.551 217 R N -0.292 120.094 120.500 -0.189 0.000 2.081 217 R HA -0.005 4.333 4.340 -0.002 0.000 0.235 217 R C 2.665 178.814 176.300 -0.252 0.000 1.131 217 R CA 1.294 57.240 56.100 -0.256 0.000 0.960 217 R CB -0.406 29.641 30.300 -0.421 0.000 0.856 217 R HN 0.238 nan 8.270 nan 0.000 0.436 218 V N 1.305 121.017 119.914 -0.337 0.000 2.332 218 V HA -0.261 3.858 4.120 -0.002 0.000 0.248 218 V C 2.290 178.295 176.094 -0.148 0.000 1.055 218 V CA 1.760 63.889 62.300 -0.286 0.000 1.038 218 V CB -0.345 31.255 31.823 -0.372 0.000 0.651 218 V HN 0.366 nan 8.190 nan 0.000 0.450 219 L N 0.647 121.802 121.223 -0.113 0.000 2.141 219 L HA -0.137 4.202 4.340 -0.002 0.000 0.209 219 L C 2.661 179.502 176.870 -0.049 0.000 1.094 219 L CA 1.684 56.487 54.840 -0.062 0.000 0.763 219 L CB -0.667 41.377 42.059 -0.025 0.000 0.908 219 L HN 0.567 nan 8.230 nan 0.000 0.437 220 S N -0.207 115.460 115.700 -0.054 0.000 2.423 220 S HA -0.093 4.375 4.470 -0.002 0.000 0.231 220 S C 2.006 176.584 174.600 -0.036 0.000 1.014 220 S CA 0.768 58.948 58.200 -0.033 0.000 0.965 220 S CB -0.125 63.051 63.200 -0.040 0.000 0.785 220 S HN 0.350 nan 8.310 nan 0.000 0.495 221 A N 1.727 124.515 122.820 -0.052 0.000 1.887 221 A HA 0.366 4.684 4.320 -0.002 0.000 0.212 221 A C 2.226 179.801 177.584 -0.015 0.000 1.198 221 A CA 0.941 52.963 52.037 -0.026 0.000 0.628 221 A CB -0.458 18.518 19.000 -0.041 0.000 0.847 221 A HN 0.478 nan 8.150 nan 0.000 0.449 222 M N 0.076 119.652 119.600 -0.041 0.000 2.557 222 M HA 0.081 4.560 4.480 -0.002 0.000 0.259 222 M C 1.312 177.530 176.300 -0.137 0.000 1.086 222 M CA 0.716 55.977 55.300 -0.065 0.000 1.096 222 M CB -0.647 31.913 32.600 -0.067 0.000 1.424 222 M HN 0.277 nan 8.290 nan 0.000 0.488 223 I N 0.682 121.202 120.570 -0.083 0.000 3.059 223 I HA -0.107 4.061 4.170 -0.002 0.000 0.270 223 I C 0.490 176.642 176.117 0.057 0.000 1.238 223 I CA 0.424 61.679 61.300 -0.075 0.000 1.478 223 I CB -1.314 36.694 38.000 0.014 0.000 1.097 223 I HN 0.319 nan 8.210 nan 0.000 0.455 224 N N -0.445 118.307 118.700 0.087 0.000 2.456 224 N HA 0.084 4.822 4.740 -0.002 0.000 0.296 224 N C 0.803 176.368 175.510 0.090 0.000 1.102 224 N CA -0.155 53.008 53.050 0.190 0.000 0.924 224 N CB 0.932 39.422 38.487 0.006 0.000 1.186 224 N HN -0.063 nan 8.380 nan 0.000 0.492 225 S N 0.516 116.287 115.700 0.118 0.000 2.515 225 S HA -0.048 4.421 4.470 -0.002 0.000 0.231 225 S C 0.056 174.718 174.600 0.103 0.000 0.987 225 S CA -0.188 58.071 58.200 0.099 0.000 0.936 225 S CB -0.897 62.371 63.200 0.114 0.000 0.766 225 S HN 0.642 nan 8.310 nan 0.000 0.528 226 N N 3.158 121.909 118.700 0.084 0.000 2.407 226 N HA 0.121 4.860 4.740 -0.002 0.000 0.250 226 N C 0.315 175.914 175.510 0.147 0.000 1.236 226 N CA 0.948 54.057 53.050 0.099 0.000 0.879 226 N CB -0.042 38.465 38.487 0.034 0.000 1.088 226 N HN 0.203 nan 8.380 nan 0.000 0.450 227 D N -0.545 119.946 120.400 0.152 0.000 2.463 227 D HA -0.244 4.395 4.640 -0.002 0.000 0.165 227 D C -0.140 176.224 176.300 0.107 0.000 1.471 227 D CA 2.055 56.134 54.000 0.131 0.000 1.333 227 D CB -0.766 40.115 40.800 0.135 0.000 1.227 227 D HN 0.819 nan 8.370 nan 0.000 0.427 228 D N -0.593 119.874 120.400 0.111 0.000 2.582 228 D HA 0.202 4.841 4.640 -0.002 0.000 0.246 228 D C -0.049 176.338 176.300 0.145 0.000 1.334 228 D CA -0.003 54.065 54.000 0.114 0.000 0.805 228 D CB -0.894 39.966 40.800 0.100 0.000 1.087 228 D HN 0.431 nan 8.370 nan 0.000 0.499 229 N N -0.425 118.368 118.700 0.155 0.000 2.782 229 N HA -0.125 4.614 4.740 -0.002 0.000 0.251 229 N C 0.793 176.489 175.510 0.310 0.000 1.101 229 N CA 0.198 53.377 53.050 0.214 0.000 0.764 229 N CB -1.113 37.496 38.487 0.203 0.000 1.122 229 N HN 0.458 nan 8.380 nan 0.000 0.561 230 G N 0.035 108.937 108.800 0.170 0.000 2.661 230 G HA2 0.215 4.174 3.960 -0.002 0.000 0.272 230 G HA3 0.215 4.174 3.960 -0.002 0.000 0.272 230 G C 1.260 176.073 174.900 -0.145 0.000 1.296 230 G CA 0.073 45.185 45.100 0.019 0.000 0.998 230 G HN 0.049 nan 8.290 nan 0.000 0.553 231 V N -0.096 119.476 119.914 -0.570 0.000 2.244 231 V HA 0.010 4.129 4.120 -0.002 0.000 0.244 231 V C 1.310 177.213 176.094 -0.317 0.000 1.042 231 V CA 1.266 63.064 62.300 -0.838 0.000 1.006 231 V CB -0.791 30.503 31.823 -0.881 0.000 0.641 231 V HN 0.320 nan 8.190 nan 0.000 0.446 232 L N 0.195 121.307 121.223 -0.186 0.000 2.317 232 L HA 0.695 5.033 4.340 -0.002 0.000 0.281 232 L C -0.137 176.763 176.870 0.051 0.000 1.024 232 L CA -0.439 54.302 54.840 -0.165 0.000 0.810 232 L CB 1.449 43.210 42.059 -0.496 0.000 1.240 232 L HN 0.171 nan 8.230 nan 0.000 0.427 233 A N 2.287 125.126 122.820 0.032 0.000 2.252 233 A HA 0.655 4.974 4.320 -0.002 0.000 0.309 233 A C 0.371 178.087 177.584 0.221 0.000 1.285 233 A CA -0.325 51.818 52.037 0.175 0.000 0.900 233 A CB 0.568 19.682 19.000 0.191 0.000 1.157 233 A HN 0.771 nan 8.150 nan 0.000 0.536 234 G N 1.044 110.035 108.800 0.318 0.000 2.527 234 G HA2 0.435 4.394 3.960 -0.002 0.000 0.248 234 G HA3 0.435 4.394 3.960 -0.002 0.000 0.248 234 G C -0.223 174.676 174.900 -0.001 0.000 1.231 234 G CA -0.411 44.786 45.100 0.163 0.000 0.838 234 G HN 0.914 nan 8.290 nan 0.000 0.570 235 N N 0.086 118.547 118.700 -0.399 0.000 2.648 235 N HA 0.146 4.885 4.740 -0.002 0.000 0.272 235 N C -0.781 174.589 175.510 -0.233 0.000 1.118 235 N CA -0.749 52.184 53.050 -0.195 0.000 0.973 235 N CB 1.109 39.374 38.487 -0.371 0.000 1.565 235 N HN 0.596 nan 8.380 nan 0.000 0.542 236 W N 2.885 124.221 121.300 0.060 0.000 2.128 236 W HA 0.148 4.807 4.660 -0.002 0.000 0.356 236 W C 1.217 177.724 176.519 -0.021 0.000 0.891 236 W CA -0.281 57.083 57.345 0.030 0.000 2.408 236 W CB 0.666 30.026 29.460 -0.167 0.000 1.234 236 W HN 0.605 nan 8.180 nan 0.000 0.597 237 S N -0.938 114.812 115.700 0.084 0.000 2.478 237 S HA 0.226 4.694 4.470 -0.002 0.000 0.222 237 S C 1.777 176.305 174.600 -0.121 0.000 1.008 237 S CA 1.089 59.260 58.200 -0.048 0.000 0.928 237 S CB 0.372 63.489 63.200 -0.137 0.000 0.781 237 S HN 0.364 nan 8.310 nan 0.000 0.518 238 G N 0.120 108.773 108.800 -0.246 0.000 2.213 238 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.236 238 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.236 238 G C 0.149 174.674 174.900 -0.625 0.000 0.991 238 G CA 0.172 45.139 45.100 -0.222 0.000 0.629 238 G HN 0.693 nan 8.290 nan 0.000 0.517 239 T N 0.565 114.584 114.554 -0.892 0.000 2.809 239 T HA 0.563 4.911 4.350 -0.002 0.000 0.284 239 T C -0.480 173.656 174.700 -0.941 0.000 0.992 239 T CA -0.299 61.381 62.100 -0.701 0.000 0.957 239 T CB 1.022 69.707 68.868 -0.305 0.000 0.942 239 T HN 0.244 nan 8.240 nan 0.000 0.439 240 Y N 1.207 121.493 120.300 -0.024 0.000 2.774 240 Y HA 0.250 4.798 4.550 -0.002 0.000 0.305 240 Y C 1.314 177.336 175.900 0.204 0.000 1.067 240 Y CA -0.956 57.162 58.100 0.031 0.000 1.304 240 Y CB -0.101 38.427 38.460 0.113 0.000 1.209 240 Y HN 0.468 nan 8.280 nan 0.000 0.543 241 T N 0.588 115.231 114.554 0.149 0.000 2.940 241 T HA 0.285 4.634 4.350 -0.002 0.000 0.309 241 T C 1.292 176.148 174.700 0.261 0.000 1.056 241 T CA 1.301 63.493 62.100 0.152 0.000 1.137 241 T CB 0.631 69.539 68.868 0.066 0.000 0.976 241 T HN 0.838 nan 8.240 nan 0.000 0.547 242 G N 1.111 110.015 108.800 0.172 0.000 2.176 242 G HA2 0.046 4.004 3.960 -0.002 0.000 0.253 242 G HA3 0.046 4.004 3.960 -0.002 0.000 0.253 242 G C 0.344 175.256 174.900 0.019 0.000 0.979 242 G CA 0.033 45.209 45.100 0.127 0.000 0.641 242 G HN 1.285 nan 8.290 nan 0.000 0.530 243 G N -1.347 107.491 108.800 0.063 0.000 2.570 243 G HA2 0.641 4.599 3.960 -0.002 0.000 0.310 243 G HA3 0.641 4.599 3.960 -0.002 0.000 0.310 243 G C -0.980 173.921 174.900 0.001 0.000 1.266 243 G CA -0.640 44.368 45.100 -0.153 0.000 0.825 243 G HN 0.451 nan 8.290 nan 0.000 0.483 244 R N 0.396 120.858 120.500 -0.064 0.000 2.604 244 R HA 0.363 4.701 4.340 -0.002 0.000 0.287 244 R C -1.025 175.212 176.300 -0.106 0.000 0.970 244 R CA -0.790 55.201 56.100 -0.182 0.000 0.946 244 R CB 1.809 31.734 30.300 -0.625 0.000 1.127 244 R HN 0.535 nan 8.270 nan 0.000 0.473 245 D N 3.272 123.569 120.400 -0.172 0.000 2.450 245 D HA 0.005 4.644 4.640 -0.002 0.000 0.247 245 D C -1.587 174.491 176.300 -0.372 0.000 1.162 245 D CA -1.732 52.060 54.000 -0.347 0.000 0.879 245 D CB 1.325 42.053 40.800 -0.119 0.000 1.163 245 D HN 0.170 nan 8.370 nan 0.000 0.472 246 P HA -0.152 nan 4.420 nan 0.000 0.218 246 P C 1.130 178.583 177.300 0.254 0.000 1.146 246 P CA 1.051 64.104 63.100 -0.078 0.000 0.820 246 P CB 0.224 31.698 31.700 -0.376 0.000 0.778 247 R N -0.616 120.011 120.500 0.212 0.000 2.236 247 R HA 0.026 4.364 4.340 -0.002 0.000 0.208 247 R C 2.160 178.570 176.300 0.184 0.000 1.036 247 R CA 1.413 57.730 56.100 0.361 0.000 1.001 247 R CB -0.915 29.517 30.300 0.219 0.000 0.896 247 R HN 0.361 nan 8.270 nan 0.000 0.464 248 S N -0.632 115.050 115.700 -0.029 0.000 2.461 248 S HA -0.077 4.392 4.470 -0.002 0.000 0.228 248 S C 0.593 175.113 174.600 -0.133 0.000 1.005 248 S CA -0.317 57.791 58.200 -0.153 0.000 0.942 248 S CB -0.312 62.694 63.200 -0.324 0.000 0.776 248 S HN 0.234 nan 8.310 nan 0.000 0.514 249 W N 2.340 123.668 121.300 0.045 0.000 2.209 249 W HA 0.337 4.996 4.660 -0.002 0.000 0.344 249 W C 1.150 177.581 176.519 -0.147 0.000 1.285 249 W CA -0.615 56.708 57.345 -0.037 0.000 1.267 249 W CB 0.237 29.742 29.460 0.076 0.000 1.167 249 W HN 0.140 nan 8.180 nan 0.000 0.574 250 N N 0.868 119.479 118.700 -0.148 0.000 2.166 250 N HA 0.241 4.980 4.740 -0.002 0.000 0.213 250 N C 0.184 175.066 175.510 -1.046 0.000 1.222 250 N CA 0.306 53.113 53.050 -0.405 0.000 0.900 250 N CB 1.294 39.643 38.487 -0.230 0.000 1.055 250 N HN 0.551 nan 8.380 nan 0.000 0.515 251 G N -1.067 106.931 108.800 -1.338 0.000 2.548 251 G HA2 0.286 4.245 3.960 -0.002 0.000 0.301 251 G HA3 0.286 4.245 3.960 -0.002 0.000 0.301 251 G C -0.333 174.130 174.900 -0.729 0.000 1.349 251 G CA -0.257 43.892 45.100 -1.585 0.000 0.792 251 G HN -0.081 nan 8.290 nan 0.000 0.481 252 S N -0.797 114.801 115.700 -0.170 0.000 2.503 252 S HA 0.050 4.519 4.470 -0.002 0.000 0.217 252 S C 2.407 177.011 174.600 0.005 0.000 0.999 252 S CA 0.702 58.977 58.200 0.126 0.000 0.914 252 S CB 0.313 63.720 63.200 0.345 0.000 0.782 252 S HN 0.416 nan 8.310 nan 0.000 0.520 253 V N 2.611 122.508 119.914 -0.028 0.000 2.233 253 V HA -0.165 3.954 4.120 -0.002 0.000 0.247 253 V C 2.529 178.628 176.094 0.008 0.000 1.050 253 V CA 1.652 63.954 62.300 0.004 0.000 1.010 253 V CB -0.547 31.274 31.823 -0.003 0.000 0.637 253 V HN 0.373 nan 8.190 nan 0.000 0.444 254 E N -0.090 120.112 120.200 0.005 0.000 2.110 254 E HA -0.162 4.187 4.350 -0.002 0.000 0.193 254 E C 2.120 178.741 176.600 0.034 0.000 0.988 254 E CA 1.301 57.742 56.400 0.068 0.000 0.804 254 E CB -0.361 29.445 29.700 0.178 0.000 0.745 254 E HN 0.603 nan 8.360 nan 0.000 0.458 255 I N 0.678 121.169 120.570 -0.133 0.000 2.142 255 I HA -0.281 3.888 4.170 -0.002 0.000 0.240 255 I C 2.478 178.557 176.117 -0.064 0.000 1.078 255 I CA 0.974 62.101 61.300 -0.288 0.000 1.343 255 I CB -0.306 37.383 38.000 -0.518 0.000 1.046 255 I HN 0.038 nan 8.210 nan 0.000 0.405 256 L N 0.353 121.570 121.223 -0.011 0.000 2.046 256 L HA -0.217 4.122 4.340 -0.002 0.000 0.208 256 L C 2.518 179.499 176.870 0.185 0.000 1.077 256 L CA 1.508 56.414 54.840 0.109 0.000 0.747 256 L CB -0.520 41.593 42.059 0.090 0.000 0.896 256 L HN 0.171 nan 8.230 nan 0.000 0.432 257 K N -0.380 120.086 120.400 0.110 0.000 2.155 257 K HA -0.091 4.228 4.320 -0.002 0.000 0.203 257 K C 1.803 178.457 176.600 0.091 0.000 1.052 257 K CA 0.952 57.296 56.287 0.094 0.000 0.948 257 K CB -0.105 32.434 32.500 0.065 0.000 0.728 257 K HN 0.275 nan 8.250 nan 0.000 0.448 258 N N 0.143 118.907 118.700 0.106 0.000 2.270 258 N HA -0.150 4.589 4.740 -0.002 0.000 0.181 258 N C 1.250 176.838 175.510 0.130 0.000 1.016 258 N CA 0.737 53.849 53.050 0.103 0.000 0.870 258 N CB -0.256 38.304 38.487 0.122 0.000 0.979 258 N HN 0.289 nan 8.380 nan 0.000 0.431 259 W N 2.683 123.965 121.300 -0.031 0.000 2.355 259 W HA -0.100 4.559 4.660 -0.002 0.000 0.309 259 W C 2.337 178.845 176.519 -0.019 0.000 1.206 259 W CA 1.525 58.851 57.345 -0.031 0.000 1.284 259 W CB -0.346 29.089 29.460 -0.042 0.000 1.145 259 W HN -0.036 nan 8.180 nan 0.000 0.502 260 K N 0.741 121.102 120.400 -0.066 0.000 2.026 260 K HA -0.254 4.064 4.320 -0.002 0.000 0.208 260 K C 2.295 178.784 176.600 -0.184 0.000 1.048 260 K CA 1.949 58.081 56.287 -0.257 0.000 0.929 260 K CB -0.582 31.866 32.500 -0.087 0.000 0.713 260 K HN 0.072 nan 8.250 nan 0.000 0.439 261 K N 0.601 120.956 120.400 -0.074 0.000 2.152 261 K HA -0.108 4.211 4.320 -0.002 0.000 0.206 261 K C 1.574 178.134 176.600 -0.068 0.000 1.048 261 K CA 1.759 58.013 56.287 -0.054 0.000 0.933 261 K CB -0.097 32.397 32.500 -0.010 0.000 0.721 261 K HN 0.286 nan 8.250 nan 0.000 0.447 262 S N -0.929 114.726 115.700 -0.076 0.000 2.671 262 S HA 0.152 4.621 4.470 -0.002 0.000 0.220 262 S C 0.912 175.444 174.600 -0.114 0.000 0.951 262 S CA 0.212 58.372 58.200 -0.067 0.000 0.932 262 S CB 0.286 63.473 63.200 -0.021 0.000 0.777 262 S HN 0.476 nan 8.310 nan 0.000 0.508 263 G N 1.697 110.389 108.800 -0.181 0.000 2.198 263 G HA2 -0.245 3.713 3.960 -0.002 0.000 0.257 263 G HA3 -0.245 3.713 3.960 -0.002 0.000 0.257 263 G C 0.381 175.113 174.900 -0.281 0.000 1.042 263 G CA -0.133 44.846 45.100 -0.201 0.000 0.791 263 G HN 1.192 nan 8.290 nan 0.000 0.502 264 L N -2.033 118.884 121.223 -0.509 0.000 4.089 264 L HA -0.218 4.121 4.340 -0.002 0.000 0.408 264 L C 1.253 178.032 176.870 -0.152 0.000 1.184 264 L CA 0.746 55.136 54.840 -0.750 0.000 0.947 264 L CB -2.478 39.213 42.059 -0.614 0.000 2.066 264 L HN 1.307 nan 8.230 nan 0.000 0.851 265 S N -1.030 114.647 115.700 -0.038 0.000 2.632 265 S HA 0.730 5.199 4.470 -0.002 0.000 0.271 265 S C -2.158 172.575 174.600 0.221 0.000 1.260 265 S CA -1.301 56.955 58.200 0.093 0.000 1.010 265 S CB 1.662 64.887 63.200 0.040 0.000 0.965 265 S HN 0.010 nan 8.310 nan 0.000 0.534 266 P HA 0.137 nan 4.420 nan 0.000 0.265 266 P C -1.037 176.315 177.300 0.086 0.000 1.193 266 P CA -0.266 62.924 63.100 0.151 0.000 0.765 266 P CB 0.323 32.086 31.700 0.105 0.000 0.823 267 V N 5.510 125.451 119.914 0.044 0.000 2.406 267 V HA 0.279 4.398 4.120 -0.002 0.000 0.272 267 V C 0.709 176.750 176.094 -0.088 0.000 1.043 267 V CA -0.218 62.077 62.300 -0.009 0.000 0.915 267 V CB 0.561 32.339 31.823 -0.075 0.000 0.988 267 V HN 0.445 nan 8.190 nan 0.000 0.466 268 R N 4.439 124.836 120.500 -0.171 0.000 2.338 268 R HA 0.684 5.023 4.340 -0.002 0.000 0.317 268 R C -1.472 174.691 176.300 -0.230 0.000 0.968 268 R CA -0.419 55.334 56.100 -0.579 0.000 0.849 268 R CB 1.459 30.934 30.300 -1.375 0.000 1.128 268 R HN 0.637 nan 8.270 nan 0.000 0.448 269 Y N -0.325 120.104 120.300 0.215 0.000 2.669 269 Y HA 0.723 5.271 4.550 -0.002 0.000 0.335 269 Y C 0.654 176.501 175.900 -0.088 0.000 1.116 269 Y CA -0.973 57.140 58.100 0.022 0.000 1.081 269 Y CB 2.395 40.846 38.460 -0.017 0.000 1.297 269 Y HN 0.676 nan 8.280 nan 0.000 0.484 270 G N -0.086 108.585 108.800 -0.215 0.000 2.605 270 G HA2 0.703 4.662 3.960 -0.002 0.000 0.296 270 G HA3 0.703 4.662 3.960 -0.002 0.000 0.296 270 G C -1.794 172.635 174.900 -0.786 0.000 1.304 270 G CA -0.758 43.966 45.100 -0.626 0.000 0.941 270 G HN 0.446 nan 8.290 nan 0.000 0.475 271 Q N -1.198 118.082 119.800 -0.867 0.000 2.587 271 Q HA 0.273 4.612 4.340 -0.002 0.000 0.293 271 Q C 1.628 177.603 176.000 -0.041 0.000 1.083 271 Q CA -0.583 54.849 55.803 -0.618 0.000 0.792 271 Q CB 2.097 30.370 28.738 -0.774 0.000 1.484 271 Q HN 0.854 nan 8.270 nan 0.000 0.446 272 C N -0.730 119.017 119.300 0.745 0.000 2.385 272 C HA -0.171 4.287 4.460 -0.002 0.000 0.275 272 C C 2.073 177.285 174.990 0.369 0.000 1.199 272 C CA 1.494 60.990 59.018 0.797 0.000 1.782 272 C CB -1.625 26.793 27.740 1.130 0.000 2.068 272 C HN 1.011 nan 8.230 nan 0.000 0.471 273 W N 1.794 123.249 121.300 0.258 0.000 2.519 273 W HA 0.222 4.881 4.660 -0.002 0.000 0.266 273 W C 1.753 178.071 176.519 -0.335 0.000 1.253 273 W CA 1.013 58.330 57.345 -0.047 0.000 1.274 273 W CB -1.072 28.338 29.460 -0.082 0.000 1.114 273 W HN 0.195 nan 8.180 nan 0.000 0.596 274 V N 1.016 120.408 119.914 -0.870 0.000 2.379 274 V HA -0.247 3.871 4.120 -0.002 0.000 0.245 274 V C 2.201 177.994 176.094 -0.502 0.000 1.044 274 V CA 1.666 63.503 62.300 -0.772 0.000 1.036 274 V CB -1.162 30.174 31.823 -0.812 0.000 0.664 274 V HN 0.079 nan 8.190 nan 0.000 0.453 275 F N 1.185 120.975 119.950 -0.266 0.000 2.134 275 F HA -0.123 4.403 4.527 -0.002 0.000 0.299 275 F C 2.489 178.226 175.800 -0.105 0.000 1.097 275 F CA 1.558 59.479 58.000 -0.130 0.000 1.264 275 F CB -0.974 38.022 39.000 -0.006 0.000 1.001 275 F HN 0.089 nan 8.300 nan 0.000 0.479 276 A N 0.047 122.921 122.820 0.089 0.000 1.930 276 A HA 0.003 4.322 4.320 -0.002 0.000 0.217 276 A C 2.549 180.091 177.584 -0.069 0.000 1.175 276 A CA 1.621 53.676 52.037 0.031 0.000 0.627 276 A CB -1.549 17.474 19.000 0.038 0.000 0.815 276 A HN 0.396 nan 8.150 nan 0.000 0.443 277 G N -1.133 107.476 108.800 -0.318 0.000 2.408 277 G HA2 -0.109 3.849 3.960 -0.002 0.000 0.217 277 G HA3 -0.109 3.849 3.960 -0.002 0.000 0.217 277 G C 1.542 176.517 174.900 0.126 0.000 1.150 277 G CA 1.601 46.449 45.100 -0.420 0.000 0.776 277 G HN 0.427 nan 8.290 nan 0.000 0.542 278 T N 1.010 115.600 114.554 0.060 0.000 2.857 278 T HA -0.070 4.279 4.350 -0.002 0.000 0.266 278 T C 2.206 176.948 174.700 0.070 0.000 1.048 278 T CA 1.003 63.170 62.100 0.112 0.000 1.139 278 T CB -0.152 68.699 68.868 -0.029 0.000 0.874 278 T HN 0.127 nan 8.240 nan 0.000 0.455 279 L N 1.970 123.221 121.223 0.046 0.000 2.093 279 L HA 0.052 4.390 4.340 -0.002 0.000 0.208 279 L C 2.059 178.946 176.870 0.029 0.000 1.085 279 L CA 1.586 56.449 54.840 0.040 0.000 0.755 279 L CB -0.887 41.208 42.059 0.059 0.000 0.904 279 L HN 0.217 nan 8.230 nan 0.000 0.435 280 N N -1.347 117.357 118.700 0.006 0.000 2.120 280 N HA -0.200 4.539 4.740 -0.002 0.000 0.188 280 N C 1.540 176.974 175.510 -0.127 0.000 1.024 280 N CA 1.919 54.898 53.050 -0.119 0.000 0.852 280 N CB 0.099 38.402 38.487 -0.306 0.000 1.003 280 N HN 0.427 nan 8.380 nan 0.000 0.424 281 T N 0.905 115.472 114.554 0.021 0.000 2.684 281 T HA -0.109 4.239 4.350 -0.002 0.000 0.267 281 T C 1.941 176.670 174.700 0.048 0.000 1.036 281 T CA 1.431 63.575 62.100 0.074 0.000 1.148 281 T CB -0.398 68.593 68.868 0.204 0.000 0.863 281 T HN 0.404 nan 8.240 nan 0.000 0.436 282 A N 1.172 124.025 122.820 0.054 0.000 1.883 282 A HA -0.035 4.284 4.320 -0.002 0.000 0.217 282 A C 2.330 179.962 177.584 0.080 0.000 1.186 282 A CA 1.362 53.435 52.037 0.059 0.000 0.624 282 A CB -0.921 18.099 19.000 0.034 0.000 0.822 282 A HN 0.477 nan 8.150 nan 0.000 0.444 283 L N -1.177 120.084 121.223 0.064 0.000 1.989 283 L HA -0.216 4.123 4.340 -0.002 0.000 0.211 283 L C 2.911 179.848 176.870 0.112 0.000 1.071 283 L CA 1.758 56.652 54.840 0.090 0.000 0.749 283 L CB -0.549 41.557 42.059 0.078 0.000 0.890 283 L HN 0.349 nan 8.230 nan 0.000 0.431 284 R N -0.093 120.441 120.500 0.056 0.000 2.096 284 R HA -0.143 4.196 4.340 -0.002 0.000 0.235 284 R C 2.626 179.019 176.300 0.156 0.000 1.127 284 R CA 1.615 57.759 56.100 0.073 0.000 0.968 284 R CB -0.436 29.837 30.300 -0.045 0.000 0.861 284 R HN 0.518 nan 8.270 nan 0.000 0.440 285 S N 1.007 116.797 115.700 0.150 0.000 2.382 285 S HA -0.081 4.388 4.470 -0.002 0.000 0.228 285 S C 1.945 176.732 174.600 0.311 0.000 1.027 285 S CA 0.903 59.272 58.200 0.282 0.000 0.991 285 S CB -0.331 62.993 63.200 0.206 0.000 0.823 285 S HN 0.255 nan 8.310 nan 0.000 0.469 286 L N 0.937 122.312 121.223 0.254 0.000 2.552 286 L HA 0.274 4.612 4.340 -0.002 0.000 0.227 286 L C 1.892 179.029 176.870 0.446 0.000 1.146 286 L CA 0.482 55.504 54.840 0.304 0.000 0.858 286 L CB -0.733 41.517 42.059 0.318 0.000 0.969 286 L HN 0.680 nan 8.230 nan 0.000 0.451 287 G N 0.688 109.728 108.800 0.399 0.000 2.144 287 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.218 287 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.218 287 G C 0.116 175.200 174.900 0.307 0.000 0.988 287 G CA -0.501 44.855 45.100 0.428 0.000 0.659 287 G HN 0.246 nan 8.290 nan 0.000 0.522 288 I N 2.031 122.722 120.570 0.201 0.000 2.297 288 I HA 0.264 4.433 4.170 -0.002 0.000 0.291 288 I C -2.024 174.183 176.117 0.150 0.000 1.033 288 I CA -2.281 59.078 61.300 0.098 0.000 1.253 288 I CB 1.363 39.380 38.000 0.027 0.000 1.396 288 I HN -0.154 nan 8.210 nan 0.000 0.476 289 P HA 0.005 nan 4.420 nan 0.000 0.262 289 P C -0.709 176.734 177.300 0.238 0.000 1.182 289 P CA 0.302 63.486 63.100 0.141 0.000 0.761 289 P CB 0.552 32.247 31.700 -0.008 0.000 0.795 290 S N 2.445 118.292 115.700 0.245 0.000 2.565 290 S HA 0.839 5.308 4.470 -0.002 0.000 0.269 290 S C -1.035 173.601 174.600 0.059 0.000 1.153 290 S CA -1.083 57.242 58.200 0.209 0.000 0.835 290 S CB 2.368 65.641 63.200 0.122 0.000 1.122 290 S HN 0.608 nan 8.310 nan 0.000 0.462 291 R N -0.411 120.036 120.500 -0.088 0.000 2.781 291 R HA 0.808 5.147 4.340 -0.002 0.000 0.269 291 R C -1.907 174.330 176.300 -0.105 0.000 1.025 291 R CA -1.146 54.883 56.100 -0.119 0.000 0.914 291 R CB 1.021 31.149 30.300 -0.287 0.000 1.236 291 R HN 0.443 nan 8.270 nan 0.000 0.465 292 V N 2.292 122.182 119.914 -0.040 0.000 2.427 292 V HA 0.400 4.519 4.120 -0.002 0.000 0.286 292 V C -0.056 175.966 176.094 -0.120 0.000 1.034 292 V CA -0.746 61.530 62.300 -0.040 0.000 0.893 292 V CB 1.366 33.216 31.823 0.044 0.000 0.982 292 V HN 0.499 nan 8.190 nan 0.000 0.452 293 I N 3.601 124.013 120.570 -0.263 0.000 2.441 293 I HA 0.470 4.639 4.170 -0.002 0.000 0.295 293 I C 0.202 175.930 176.117 -0.649 0.000 0.994 293 I CA -0.145 60.874 61.300 -0.468 0.000 1.144 293 I CB 1.962 39.556 38.000 -0.676 0.000 1.314 293 I HN 0.528 nan 8.210 nan 0.000 0.445 294 T N 5.842 120.088 114.554 -0.514 0.000 2.786 294 T HA 0.281 4.629 4.350 -0.002 0.000 0.283 294 T C -0.046 174.276 174.700 -0.631 0.000 0.992 294 T CA -0.629 61.145 62.100 -0.543 0.000 0.954 294 T CB 1.115 69.754 68.868 -0.381 0.000 0.934 294 T HN 0.552 nan 8.240 nan 0.000 0.440 295 N N 3.325 121.607 118.700 -0.697 0.000 2.446 295 N HA 0.377 5.116 4.740 -0.002 0.000 0.265 295 N C -1.045 174.317 175.510 -0.246 0.000 0.975 295 N CA -0.460 52.316 53.050 -0.457 0.000 0.928 295 N CB 0.723 38.896 38.487 -0.523 0.000 1.160 295 N HN 0.281 nan 8.380 nan 0.000 0.495 296 F N 2.131 122.128 119.950 0.078 0.000 2.389 296 F HA 0.260 4.785 4.527 -0.002 0.000 0.337 296 F C 0.984 176.875 175.800 0.150 0.000 1.112 296 F CA -0.405 57.715 58.000 0.200 0.000 1.192 296 F CB 0.580 39.711 39.000 0.218 0.000 1.185 296 F HN 0.513 nan 8.300 nan 0.000 0.552 297 N N 0.521 119.430 118.700 0.348 0.000 2.708 297 N HA -0.225 4.513 4.740 -0.002 0.000 0.255 297 N C -0.586 175.012 175.510 0.148 0.000 1.046 297 N CA 0.480 53.664 53.050 0.224 0.000 0.715 297 N CB -1.247 37.336 38.487 0.160 0.000 0.895 297 N HN 0.451 nan 8.380 nan 0.000 0.545 298 S N -0.602 115.196 115.700 0.163 0.000 2.465 298 S HA 0.704 5.173 4.470 -0.002 0.000 0.279 298 S C 0.439 175.022 174.600 -0.028 0.000 1.201 298 S CA -0.127 58.115 58.200 0.070 0.000 1.053 298 S CB 0.545 63.817 63.200 0.121 0.000 0.953 298 S HN 0.486 nan 8.310 nan 0.000 0.488 299 A N 3.994 126.773 122.820 -0.067 0.000 2.316 299 A HA 0.415 4.734 4.320 -0.002 0.000 0.284 299 A C -0.312 177.194 177.584 -0.131 0.000 1.115 299 A CA -0.477 51.525 52.037 -0.058 0.000 0.812 299 A CB 0.229 19.220 19.000 -0.016 0.000 1.064 299 A HN 1.016 nan 8.150 nan 0.000 0.489 300 H N 1.585 120.571 119.070 -0.140 0.000 2.697 300 H HA 0.261 4.816 4.556 -0.002 0.000 0.270 300 H C -1.171 174.186 175.328 0.049 0.000 1.188 300 H CA -0.694 55.313 56.048 -0.068 0.000 1.322 300 H CB 0.383 30.105 29.762 -0.067 0.000 1.405 300 H HN 0.698 nan 8.280 nan 0.000 0.502 301 D N 3.262 123.845 120.400 0.305 0.000 2.325 301 D HA -0.025 4.614 4.640 -0.002 0.000 0.251 301 D C 1.270 177.732 176.300 0.270 0.000 1.196 301 D CA 0.019 54.145 54.000 0.211 0.000 0.866 301 D CB 1.401 42.295 40.800 0.157 0.000 1.101 301 D HN 0.712 nan 8.370 nan 0.000 0.476 302 T N -0.181 114.420 114.554 0.079 0.000 3.044 302 T HA 0.018 4.367 4.350 -0.002 0.000 0.250 302 T C 0.378 175.091 174.700 0.022 0.000 1.081 302 T CA 0.024 62.133 62.100 0.015 0.000 1.040 302 T CB 0.030 68.824 68.868 -0.124 0.000 0.962 302 T HN 0.398 nan 8.240 nan 0.000 0.506 303 D N 0.966 121.387 120.400 0.035 0.000 2.819 303 D HA 0.117 4.756 4.640 -0.002 0.000 0.326 303 D C 0.005 176.323 176.300 0.031 0.000 1.408 303 D CA -0.855 53.157 54.000 0.020 0.000 0.811 303 D CB -0.636 40.167 40.800 0.004 0.000 1.148 303 D HN 0.428 nan 8.370 nan 0.000 0.457 304 R N 1.492 122.025 120.500 0.056 0.000 2.403 304 R HA -0.253 4.086 4.340 -0.002 0.000 0.234 304 R C -0.677 175.633 176.300 0.017 0.000 0.807 304 R CA 0.850 56.978 56.100 0.046 0.000 0.615 304 R CB -2.075 28.243 30.300 0.029 0.000 1.559 304 R HN 0.489 nan 8.270 nan 0.000 0.538 305 N N 2.162 120.881 118.700 0.032 0.000 2.167 305 N HA 0.050 4.789 4.740 -0.002 0.000 0.234 305 N C 0.481 176.017 175.510 0.043 0.000 1.312 305 N CA -0.051 53.012 53.050 0.023 0.000 0.861 305 N CB 0.270 38.785 38.487 0.047 0.000 1.217 305 N HN 0.555 nan 8.380 nan 0.000 0.504 306 L N 0.073 121.330 121.223 0.057 0.000 3.843 306 L HA -0.227 4.112 4.340 -0.002 0.000 0.411 306 L C -0.362 176.662 176.870 0.257 0.000 1.205 306 L CA 0.737 55.654 54.840 0.129 0.000 0.945 306 L CB -2.389 39.626 42.059 -0.073 0.000 1.929 306 L HN 0.399 nan 8.230 nan 0.000 0.934 307 S N -0.332 115.475 115.700 0.178 0.000 2.546 307 S HA 0.765 5.234 4.470 -0.002 0.000 0.272 307 S C -0.447 174.226 174.600 0.123 0.000 1.140 307 S CA -0.094 58.207 58.200 0.169 0.000 0.920 307 S CB 2.140 65.444 63.200 0.174 0.000 1.083 307 S HN 0.387 nan 8.310 nan 0.000 0.476 308 V N 1.416 121.392 119.914 0.103 0.000 2.680 308 V HA 0.745 4.864 4.120 -0.002 0.000 0.309 308 V C -1.023 175.125 176.094 0.090 0.000 1.052 308 V CA -0.825 61.527 62.300 0.086 0.000 0.908 308 V CB 1.903 33.768 31.823 0.069 0.000 1.001 308 V HN 0.806 nan 8.190 nan 0.000 0.431 309 D N 2.463 122.917 120.400 0.090 0.000 2.185 309 D HA 0.664 5.302 4.640 -0.002 0.000 0.247 309 D C -0.829 175.457 176.300 -0.022 0.000 1.027 309 D CA -0.207 53.831 54.000 0.063 0.000 0.861 309 D CB 2.619 43.407 40.800 -0.019 0.000 1.202 309 D HN 0.491 nan 8.370 nan 0.000 0.453 310 V N 2.296 122.152 119.914 -0.096 0.000 2.588 310 V HA 0.341 4.460 4.120 -0.002 0.000 0.304 310 V C -1.151 174.827 176.094 -0.194 0.000 1.042 310 V CA -0.730 61.520 62.300 -0.083 0.000 0.877 310 V CB 1.246 33.063 31.823 -0.010 0.000 0.996 310 V HN 0.403 nan 8.190 nan 0.000 0.425 311 Y N 3.532 123.726 120.300 -0.175 0.000 2.524 311 Y HA 0.800 5.349 4.550 -0.002 0.000 0.344 311 Y C -0.613 175.041 175.900 -0.410 0.000 1.012 311 Y CA -1.128 56.889 58.100 -0.138 0.000 1.068 311 Y CB 1.804 40.175 38.460 -0.149 0.000 1.249 311 Y HN 0.530 nan 8.280 nan 0.000 0.468 312 Y N -0.078 120.292 120.300 0.117 0.000 2.588 312 Y HA 0.383 4.931 4.550 -0.002 0.000 0.343 312 Y C -0.804 175.104 175.900 0.014 0.000 1.065 312 Y CA -1.520 56.599 58.100 0.032 0.000 1.038 312 Y CB 1.752 40.215 38.460 0.004 0.000 1.297 312 Y HN 0.627 nan 8.280 nan 0.000 0.467 313 D N 0.061 120.566 120.400 0.175 0.000 2.385 313 D HA 0.393 5.032 4.640 -0.002 0.000 0.254 313 D C -2.430 173.924 176.300 0.089 0.000 1.053 313 D CA -2.422 51.629 54.000 0.085 0.000 0.992 313 D CB 1.147 41.990 40.800 0.072 0.000 1.145 313 D HN 0.096 nan 8.370 nan 0.000 0.523 314 P HA -0.114 nan 4.420 nan 0.000 0.218 314 P C 1.107 178.463 177.300 0.093 0.000 1.146 314 P CA 1.160 64.329 63.100 0.115 0.000 0.813 314 P CB 0.048 31.843 31.700 0.159 0.000 0.778 315 M N -2.453 117.200 119.600 0.087 0.000 2.618 315 M HA 0.230 4.708 4.480 -0.002 0.000 0.240 315 M C 1.290 177.650 176.300 0.100 0.000 1.123 315 M CA 0.796 56.143 55.300 0.078 0.000 1.060 315 M CB -1.393 31.248 32.600 0.070 0.000 1.535 315 M HN 0.129 nan 8.290 nan 0.000 0.507 316 G N 1.025 109.900 108.800 0.124 0.000 2.141 316 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.242 316 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.242 316 G C 0.060 175.112 174.900 0.255 0.000 0.982 316 G CA -0.258 44.932 45.100 0.151 0.000 0.662 316 G HN 0.458 nan 8.290 nan 0.000 0.527 317 N N 1.613 120.461 118.700 0.247 0.000 2.472 317 N HA 0.415 5.154 4.740 -0.002 0.000 0.277 317 N C -2.743 172.814 175.510 0.078 0.000 1.081 317 N CA -0.991 52.195 53.050 0.227 0.000 0.973 317 N CB 1.545 40.165 38.487 0.222 0.000 1.105 317 N HN 0.100 nan 8.380 nan 0.000 0.470 318 P HA 0.218 nan 4.420 nan 0.000 0.275 318 P C -0.315 176.682 177.300 -0.506 0.000 1.228 318 P CA -0.084 62.746 63.100 -0.449 0.000 0.786 318 P CB 0.912 32.331 31.700 -0.469 0.000 0.927 319 L N 2.584 123.551 121.223 -0.428 0.000 2.322 319 L HA 0.271 4.609 4.340 -0.002 0.000 0.279 319 L C 1.442 178.113 176.870 -0.331 0.000 1.036 319 L CA -0.496 54.153 54.840 -0.319 0.000 0.807 319 L CB 0.988 42.930 42.059 -0.195 0.000 1.226 319 L HN 0.384 nan 8.230 nan 0.000 0.433 320 D N 0.931 121.147 120.400 -0.307 0.000 2.172 320 D HA -0.169 4.470 4.640 -0.002 0.000 0.196 320 D C 0.803 176.964 176.300 -0.232 0.000 0.999 320 D CA 1.621 55.467 54.000 -0.258 0.000 0.856 320 D CB 0.229 40.907 40.800 -0.203 0.000 0.934 320 D HN 0.252 nan 8.370 nan 0.000 0.453 321 K N 0.282 120.516 120.400 -0.278 0.000 2.412 321 K HA 0.163 4.482 4.320 -0.002 0.000 0.284 321 K C 0.787 177.297 176.600 -0.150 0.000 1.046 321 K CA 0.781 56.885 56.287 -0.304 0.000 0.999 321 K CB 0.325 32.482 32.500 -0.572 0.000 0.941 321 K HN 0.167 nan 8.250 nan 0.000 0.474 322 G N 2.700 111.460 108.800 -0.068 0.000 2.184 322 G HA2 -0.368 3.590 3.960 -0.002 0.000 0.264 322 G HA3 -0.368 3.590 3.960 -0.002 0.000 0.264 322 G C 0.937 175.814 174.900 -0.038 0.000 0.975 322 G CA 1.021 46.141 45.100 0.032 0.000 0.642 322 G HN 0.912 nan 8.290 nan 0.000 0.536 323 S N 0.423 116.052 115.700 -0.118 0.000 2.474 323 S HA 0.015 4.484 4.470 -0.002 0.000 0.235 323 S C 1.427 175.959 174.600 -0.115 0.000 0.997 323 S CA 1.699 59.800 58.200 -0.164 0.000 0.949 323 S CB -0.057 63.002 63.200 -0.236 0.000 0.766 323 S HN 0.890 nan 8.310 nan 0.000 0.517 324 D N -0.308 120.039 120.400 -0.089 0.000 2.535 324 D HA 0.279 4.918 4.640 -0.002 0.000 0.229 324 D C 0.727 177.090 176.300 0.106 0.000 1.238 324 D CA -0.201 53.754 54.000 -0.075 0.000 0.824 324 D CB -0.321 40.370 40.800 -0.182 0.000 1.045 324 D HN 0.272 nan 8.370 nan 0.000 0.500 325 S N -0.499 115.251 115.700 0.083 0.000 2.522 325 S HA 0.098 4.567 4.470 -0.002 0.000 0.227 325 S C 0.646 175.354 174.600 0.180 0.000 0.986 325 S CA 0.090 58.360 58.200 0.116 0.000 0.929 325 S CB 0.423 63.653 63.200 0.049 0.000 0.769 325 S HN 0.217 nan 8.310 nan 0.000 0.529 326 V N 2.419 122.456 119.914 0.204 0.000 2.419 326 V HA 0.318 4.437 4.120 -0.002 0.000 0.287 326 V C -1.060 175.226 176.094 0.320 0.000 1.017 326 V CA -1.045 61.381 62.300 0.210 0.000 0.844 326 V CB 0.699 32.597 31.823 0.126 0.000 1.011 326 V HN 0.362 nan 8.190 nan 0.000 0.429 327 W N 2.734 124.017 121.300 -0.028 0.000 2.184 327 W HA 0.360 5.018 4.660 -0.002 0.000 0.338 327 W C 1.418 177.975 176.519 0.064 0.000 1.257 327 W CA -0.820 56.488 57.345 -0.062 0.000 1.243 327 W CB -0.194 29.197 29.460 -0.115 0.000 1.122 327 W HN 0.520 nan 8.180 nan 0.000 0.585 328 N N 0.721 119.602 118.700 0.302 0.000 2.223 328 N HA -0.068 4.671 4.740 -0.002 0.000 0.185 328 N C -0.413 175.426 175.510 0.549 0.000 1.016 328 N CA 1.397 54.686 53.050 0.398 0.000 0.863 328 N CB -0.113 38.631 38.487 0.427 0.000 0.983 328 N HN 0.289 nan 8.380 nan 0.000 0.429 329 F N -3.075 117.150 119.950 0.458 0.000 2.725 329 F HA 0.502 5.028 4.527 -0.002 0.000 0.309 329 F C -1.405 174.711 175.800 0.527 0.000 1.132 329 F CA -1.387 56.732 58.000 0.198 0.000 0.957 329 F CB 0.892 39.763 39.000 -0.215 0.000 1.286 329 F HN -0.196 nan 8.300 nan 0.000 0.440 330 H N 1.435 120.732 119.070 0.378 0.000 2.856 330 H HA 0.782 5.337 4.556 -0.002 0.000 0.355 330 H C -2.058 173.402 175.328 0.219 0.000 1.079 330 H CA -1.008 55.277 56.048 0.396 0.000 1.240 330 H CB 2.047 31.854 29.762 0.074 0.000 1.701 330 H HN 0.727 nan 8.280 nan 0.000 0.527 331 V N 5.828 125.708 119.914 -0.057 0.000 2.547 331 V HA 0.490 4.608 4.120 -0.002 0.000 0.299 331 V C -0.592 175.339 176.094 -0.271 0.000 1.040 331 V CA -0.335 61.836 62.300 -0.215 0.000 0.913 331 V CB 0.716 32.610 31.823 0.118 0.000 0.992 331 V HN 0.887 nan 8.190 nan 0.000 0.449 332 W N 3.227 124.376 121.300 -0.252 0.000 3.163 332 W HA 0.736 5.394 4.660 -0.002 0.000 0.395 332 W C -1.287 175.188 176.519 -0.073 0.000 1.100 332 W CA -1.055 56.190 57.345 -0.165 0.000 1.134 332 W CB 0.731 30.087 29.460 -0.174 0.000 1.496 332 W HN 0.389 nan 8.180 nan 0.000 0.605 333 N N -0.163 118.781 118.700 0.407 0.000 2.469 333 N HA 0.547 5.286 4.740 -0.002 0.000 0.286 333 N C -1.722 173.969 175.510 0.302 0.000 1.275 333 N CA -1.041 52.148 53.050 0.232 0.000 0.790 333 N CB 2.191 40.761 38.487 0.138 0.000 1.446 333 N HN 0.450 nan 8.380 nan 0.000 0.501 334 E N -0.638 119.657 120.200 0.159 0.000 2.275 334 E HA 0.573 4.921 4.350 -0.002 0.000 0.270 334 E C -0.947 175.823 176.600 0.282 0.000 0.882 334 E CA -0.925 55.591 56.400 0.194 0.000 0.758 334 E CB 2.102 31.826 29.700 0.040 0.000 1.195 334 E HN 0.594 nan 8.360 nan 0.000 0.419 335 G N 1.824 110.774 108.800 0.251 0.000 2.432 335 G HA2 0.342 4.301 3.960 -0.002 0.000 0.331 335 G HA3 0.342 4.301 3.960 -0.002 0.000 0.331 335 G C -1.528 173.348 174.900 -0.040 0.000 1.170 335 G CA -0.528 44.705 45.100 0.222 0.000 0.943 335 G HN 0.435 nan 8.290 nan 0.000 0.483 336 W N 3.837 124.966 121.300 -0.284 0.000 2.329 336 W HA 0.635 5.294 4.660 -0.002 0.000 0.312 336 W C -1.841 174.500 176.519 -0.296 0.000 1.054 336 W CA -1.263 55.706 57.345 -0.627 0.000 1.245 336 W CB 0.862 29.753 29.460 -0.948 0.000 1.255 336 W HN 0.445 nan 8.180 nan 0.000 0.436 337 F N 3.192 122.784 119.950 -0.596 0.000 2.744 337 F HA 0.451 4.976 4.527 -0.002 0.000 0.311 337 F C -0.645 174.890 175.800 -0.442 0.000 1.144 337 F CA -1.687 56.052 58.000 -0.435 0.000 0.938 337 F CB -0.290 38.575 39.000 -0.225 0.000 1.292 337 F HN 0.117 nan 8.300 nan 0.000 0.444 338 V N 0.126 120.013 119.914 -0.045 0.000 3.051 338 V HA 0.608 4.727 4.120 -0.002 0.000 0.306 338 V C -0.074 176.073 176.094 0.089 0.000 1.083 338 V CA -0.625 61.636 62.300 -0.064 0.000 1.104 338 V CB 0.990 32.800 31.823 -0.022 0.000 1.027 338 V HN 0.849 nan 8.190 nan 0.000 0.483 339 R N 2.607 123.138 120.500 0.051 0.000 2.396 339 R HA 0.319 4.658 4.340 -0.002 0.000 0.292 339 R C 1.252 177.602 176.300 0.084 0.000 1.240 339 R CA 0.459 56.625 56.100 0.110 0.000 1.270 339 R CB 0.836 31.197 30.300 0.101 0.000 1.108 339 R HN 1.083 nan 8.270 nan 0.000 0.573 340 S N 0.118 115.865 115.700 0.079 0.000 2.474 340 S HA -0.151 4.318 4.470 -0.002 0.000 0.235 340 S C 1.106 175.739 174.600 0.054 0.000 0.997 340 S CA 1.229 59.464 58.200 0.059 0.000 0.949 340 S CB 0.034 63.267 63.200 0.054 0.000 0.766 340 S HN 0.514 nan 8.310 nan 0.000 0.517 341 D N 1.344 121.781 120.400 0.061 0.000 2.333 341 D HA 0.033 4.672 4.640 -0.002 0.000 0.208 341 D C 1.711 178.013 176.300 0.003 0.000 0.984 341 D CA 0.325 54.346 54.000 0.034 0.000 0.873 341 D CB -0.291 40.537 40.800 0.045 0.000 0.935 341 D HN 0.500 nan 8.370 nan 0.000 0.521 342 L N -0.772 120.467 121.223 0.027 0.000 2.467 342 L HA 0.433 4.771 4.340 -0.002 0.000 0.213 342 L C 1.240 178.206 176.870 0.161 0.000 1.053 342 L CA 0.405 55.255 54.840 0.017 0.000 0.847 342 L CB 0.217 42.241 42.059 -0.057 0.000 1.075 342 L HN 0.269 nan 8.230 nan 0.000 0.479 343 G N -0.485 108.410 108.800 0.160 0.000 2.340 343 G HA2 -0.041 3.918 3.960 -0.002 0.000 0.527 343 G HA3 -0.041 3.918 3.960 -0.002 0.000 0.527 343 G C -2.660 172.288 174.900 0.080 0.000 1.381 343 G CA -0.703 44.477 45.100 0.133 0.000 1.001 343 G HN -0.217 nan 8.290 nan 0.000 0.626 344 P HA -0.002 nan 4.420 nan 0.000 0.222 344 P C 1.887 179.118 177.300 -0.115 0.000 1.147 344 P CA 2.028 65.102 63.100 -0.043 0.000 0.790 344 P CB 0.124 31.802 31.700 -0.038 0.000 0.780 345 S N -2.937 112.634 115.700 -0.216 0.000 2.558 345 S HA -0.006 4.462 4.470 -0.002 0.000 0.217 345 S C 1.170 175.465 174.600 -0.509 0.000 0.975 345 S CA 0.127 58.093 58.200 -0.389 0.000 0.912 345 S CB -1.078 61.811 63.200 -0.519 0.000 0.776 345 S HN 0.192 nan 8.310 nan 0.000 0.526 346 Y N 2.105 122.357 120.300 -0.080 0.000 2.524 346 Y HA 0.458 5.007 4.550 -0.002 0.000 0.266 346 Y C 1.670 177.470 175.900 -0.166 0.000 1.180 346 Y CA -0.643 57.397 58.100 -0.099 0.000 1.244 346 Y CB -0.073 38.347 38.460 -0.067 0.000 1.125 346 Y HN 0.380 nan 8.280 nan 0.000 0.524 347 G N -0.125 108.599 108.800 -0.126 0.000 2.621 347 G HA2 0.472 4.431 3.960 -0.002 0.000 0.271 347 G HA3 0.472 4.431 3.960 -0.002 0.000 0.271 347 G C 0.506 175.084 174.900 -0.536 0.000 1.236 347 G CA 0.402 45.320 45.100 -0.303 0.000 0.958 347 G HN 0.532 nan 8.290 nan 0.000 0.512 348 G N -1.462 106.718 108.800 -1.033 0.000 2.443 348 G HA2 -0.141 3.817 3.960 -0.002 0.000 0.209 348 G HA3 -0.141 3.817 3.960 -0.002 0.000 0.209 348 G C -0.348 173.901 174.900 -1.086 0.000 1.176 348 G CA -0.293 43.850 45.100 -1.595 0.000 1.074 348 G HN 0.806 nan 8.290 nan 0.000 0.577 349 W N 2.152 123.261 121.300 -0.317 0.000 2.251 349 W HA 0.549 5.208 4.660 -0.002 0.000 0.327 349 W C 0.556 176.894 176.519 -0.301 0.000 1.361 349 W CA -0.115 57.121 57.345 -0.181 0.000 1.234 349 W CB 0.677 30.110 29.460 -0.047 0.000 1.212 349 W HN 0.378 nan 8.180 nan 0.000 0.557 350 Q N 2.721 122.473 119.800 -0.081 0.000 2.321 350 Q HA 0.326 4.665 4.340 -0.002 0.000 0.270 350 Q C -0.680 175.334 176.000 0.024 0.000 1.032 350 Q CA -1.052 54.661 55.803 -0.149 0.000 0.784 350 Q CB 1.907 30.358 28.738 -0.478 0.000 1.264 350 Q HN 0.234 nan 8.270 nan 0.000 0.448 351 V N 3.733 123.681 119.914 0.058 0.000 2.572 351 V HA 0.219 4.337 4.120 -0.002 0.000 0.291 351 V C 0.234 176.351 176.094 0.037 0.000 1.039 351 V CA 0.111 62.448 62.300 0.062 0.000 1.055 351 V CB 0.148 31.919 31.823 -0.086 0.000 0.969 351 V HN 0.548 nan 8.190 nan 0.000 0.482 352 L N 4.628 125.896 121.223 0.075 0.000 2.438 352 L HA 0.595 4.934 4.340 -0.002 0.000 0.270 352 L C -0.998 175.918 176.870 0.077 0.000 0.972 352 L CA -0.357 54.524 54.840 0.068 0.000 0.831 352 L CB 2.236 44.360 42.059 0.109 0.000 1.273 352 L HN 0.545 nan 8.230 nan 0.000 0.405 353 D N 1.948 122.370 120.400 0.036 0.000 2.620 353 D HA 0.455 5.093 4.640 -0.002 0.000 0.252 353 D C 0.182 176.505 176.300 0.037 0.000 1.207 353 D CA -0.306 53.739 54.000 0.076 0.000 0.884 353 D CB 2.437 43.271 40.800 0.056 0.000 1.262 353 D HN 0.565 nan 8.370 nan 0.000 0.552 354 A N 2.764 125.611 122.820 0.045 0.000 2.218 354 A HA 0.132 4.451 4.320 -0.002 0.000 0.209 354 A C 0.960 178.384 177.584 -0.268 0.000 1.168 354 A CA 0.282 52.302 52.037 -0.027 0.000 0.804 354 A CB -0.051 18.994 19.000 0.074 0.000 0.834 354 A HN 0.463 nan 8.150 nan 0.000 0.482 355 T N 3.660 118.068 114.554 -0.243 0.000 2.834 355 T HA 0.300 4.648 4.350 -0.002 0.000 0.298 355 T C -2.487 172.019 174.700 -0.323 0.000 0.966 355 T CA -0.536 61.269 62.100 -0.491 0.000 1.141 355 T CB 0.793 69.724 68.868 0.104 0.000 0.905 355 T HN 0.212 nan 8.240 nan 0.000 0.535 356 P HA 0.181 nan 4.420 nan 0.000 0.260 356 P C -0.020 177.125 177.300 -0.258 0.000 1.651 356 P CA 0.013 62.913 63.100 -0.332 0.000 1.139 356 P CB 0.598 31.888 31.700 -0.684 0.000 1.756 357 Q N 0.871 120.606 119.800 -0.110 0.000 2.499 357 Q HA 0.097 4.436 4.340 -0.002 0.000 0.213 357 Q C 0.163 176.145 176.000 -0.029 0.000 0.929 357 Q CA 0.582 56.252 55.803 -0.220 0.000 0.904 357 Q CB 0.527 28.892 28.738 -0.622 0.000 1.052 357 Q HN 0.342 nan 8.270 nan 0.000 0.589 358 E N 0.447 120.489 120.200 -0.263 0.000 2.248 358 E HA 0.282 4.631 4.350 -0.002 0.000 0.267 358 E C -1.286 175.050 176.600 -0.441 0.000 0.877 358 E CA -0.347 55.841 56.400 -0.352 0.000 0.759 358 E CB 1.270 30.490 29.700 -0.801 0.000 1.182 358 E HN -0.013 nan 8.360 nan 0.000 0.418 359 R N 1.536 121.666 120.500 -0.617 0.000 2.643 359 R HA 0.421 4.759 4.340 -0.002 0.000 0.270 359 R C -0.534 175.534 176.300 -0.388 0.000 1.061 359 R CA -0.059 55.604 56.100 -0.728 0.000 1.107 359 R CB 1.001 30.879 30.300 -0.704 0.000 0.999 359 R HN 0.332 nan 8.270 nan 0.000 0.460 360 S N 1.292 116.812 115.700 -0.300 0.000 2.736 360 S HA 0.102 4.571 4.470 -0.002 0.000 0.285 360 S C -0.810 173.720 174.600 -0.117 0.000 1.163 360 S CA -0.525 57.577 58.200 -0.164 0.000 1.025 360 S CB 0.780 63.910 63.200 -0.117 0.000 1.030 360 S HN 0.718 nan 8.310 nan 0.000 0.486 361 Q N 2.744 122.497 119.800 -0.079 0.000 2.475 361 Q HA -0.242 4.097 4.340 -0.002 0.000 0.280 361 Q C 0.963 176.919 176.000 -0.073 0.000 1.234 361 Q CA 1.015 56.789 55.803 -0.048 0.000 0.873 361 Q CB -1.837 26.898 28.738 -0.005 0.000 1.256 361 Q HN 1.615 nan 8.270 nan 0.000 0.475 362 G N -2.307 106.424 108.800 -0.116 0.000 2.299 362 G HA2 -0.327 3.631 3.960 -0.002 0.000 0.237 362 G HA3 -0.327 3.631 3.960 -0.002 0.000 0.237 362 G C 0.238 175.034 174.900 -0.173 0.000 1.027 362 G CA 0.465 45.491 45.100 -0.123 0.000 0.619 362 G HN 1.113 nan 8.290 nan 0.000 0.513 363 V N -2.623 117.180 119.914 -0.184 0.000 3.113 363 V HA 0.873 4.991 4.120 -0.002 0.000 0.316 363 V C 0.146 176.065 176.094 -0.292 0.000 1.125 363 V CA -1.812 60.376 62.300 -0.188 0.000 1.026 363 V CB 1.576 33.371 31.823 -0.047 0.000 1.080 363 V HN 0.348 nan 8.190 nan 0.000 0.444 364 F N 2.960 122.868 119.950 -0.070 0.000 2.464 364 F HA 0.537 5.062 4.527 -0.002 0.000 0.353 364 F C 0.752 176.486 175.800 -0.111 0.000 1.191 364 F CA 0.266 58.203 58.000 -0.105 0.000 1.147 364 F CB 0.135 39.078 39.000 -0.096 0.000 1.294 364 F HN 0.734 nan 8.300 nan 0.000 0.583 365 Q N 1.926 121.711 119.800 -0.025 0.000 2.511 365 Q HA 0.740 5.079 4.340 -0.002 0.000 0.289 365 Q C -1.682 174.269 176.000 -0.082 0.000 1.021 365 Q CA -1.129 54.641 55.803 -0.055 0.000 0.785 365 Q CB 2.533 31.217 28.738 -0.090 0.000 1.472 365 Q HN 0.428 nan 8.270 nan 0.000 0.411 366 C N 0.589 119.846 119.300 -0.071 0.000 2.832 366 C HA 0.822 5.281 4.460 -0.002 0.000 0.383 366 C C 0.224 175.195 174.990 -0.031 0.000 1.046 366 C CA 1.151 60.140 59.018 -0.049 0.000 1.242 366 C CB 0.608 28.325 27.740 -0.038 0.000 1.693 366 C HN 1.419 nan 8.230 nan 0.000 0.497 367 G N 6.517 115.324 108.800 0.011 0.000 2.710 367 G HA2 0.021 3.980 3.960 -0.002 0.000 0.668 367 G HA3 0.021 3.980 3.960 -0.002 0.000 0.668 367 G C -3.180 171.691 174.900 -0.049 0.000 1.320 367 G CA -0.352 44.778 45.100 0.049 0.000 0.860 367 G HN 0.770 nan 8.290 nan 0.000 0.538 368 P HA 0.501 nan 4.420 nan 0.000 0.276 368 P C -0.363 177.076 177.300 0.231 0.000 1.230 368 P CA 0.660 63.879 63.100 0.199 0.000 0.776 368 P CB 1.435 33.345 31.700 0.350 0.000 0.888 369 A N 2.603 125.490 122.820 0.111 0.000 2.319 369 A HA 0.414 4.732 4.320 -0.002 0.000 0.310 369 A C 0.315 177.911 177.584 0.019 0.000 1.152 369 A CA -0.708 51.369 52.037 0.068 0.000 0.783 369 A CB 0.667 19.692 19.000 0.042 0.000 1.184 369 A HN 0.482 nan 8.150 nan 0.000 0.474 370 S N 2.317 118.018 115.700 0.001 0.000 2.546 370 S HA 0.130 4.599 4.470 -0.002 0.000 0.290 370 S C 1.404 176.003 174.600 -0.002 0.000 1.262 370 S CA -0.158 58.040 58.200 -0.003 0.000 1.083 370 S CB 0.072 63.306 63.200 0.057 0.000 0.859 370 S HN 0.757 nan 8.310 nan 0.000 0.495 371 V N 7.429 127.309 119.914 -0.056 0.000 2.343 371 V HA -0.184 3.935 4.120 -0.002 0.000 0.247 371 V C 2.186 178.217 176.094 -0.104 0.000 1.051 371 V CA 2.009 64.199 62.300 -0.184 0.000 1.036 371 V CB -0.733 30.903 31.823 -0.312 0.000 0.654 371 V HN 0.906 nan 8.190 nan 0.000 0.451 372 I N 0.903 121.459 120.570 -0.023 0.000 2.163 372 I HA -0.206 3.963 4.170 -0.002 0.000 0.243 372 I C 2.608 178.809 176.117 0.139 0.000 1.085 372 I CA 1.845 63.159 61.300 0.023 0.000 1.347 372 I CB -0.942 37.059 38.000 0.001 0.000 1.044 372 I HN 0.425 nan 8.210 nan 0.000 0.408 373 G N 0.246 109.198 108.800 0.253 0.000 2.432 373 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.219 373 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.219 373 G C 1.691 176.700 174.900 0.182 0.000 1.135 373 G CA 0.801 46.063 45.100 0.269 0.000 0.767 373 G HN 0.261 nan 8.290 nan 0.000 0.550 374 V N 0.411 120.417 119.914 0.154 0.000 2.358 374 V HA -0.101 4.018 4.120 -0.002 0.000 0.246 374 V C 2.733 179.011 176.094 0.307 0.000 1.047 374 V CA 1.935 64.385 62.300 0.250 0.000 1.035 374 V CB -0.417 31.515 31.823 0.181 0.000 0.658 374 V HN 0.396 nan 8.190 nan 0.000 0.452 375 R N 0.145 120.747 120.500 0.170 0.000 2.120 375 R HA -0.145 4.194 4.340 -0.002 0.000 0.234 375 R C 1.883 178.379 176.300 0.327 0.000 1.123 375 R CA 1.330 57.525 56.100 0.158 0.000 0.975 375 R CB 0.022 30.308 30.300 -0.024 0.000 0.866 375 R HN 0.463 nan 8.270 nan 0.000 0.446 376 E N -0.872 119.511 120.200 0.305 0.000 2.479 376 E HA 0.075 4.424 4.350 -0.002 0.000 0.193 376 E C 0.845 177.598 176.600 0.255 0.000 1.049 376 E CA 0.714 57.308 56.400 0.324 0.000 0.870 376 E CB 0.757 30.605 29.700 0.247 0.000 0.944 376 E HN 0.561 nan 8.360 nan 0.000 0.492 377 G N 2.472 111.449 108.800 0.294 0.000 2.160 377 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.251 377 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.251 377 G C -0.210 174.636 174.900 -0.089 0.000 1.008 377 G CA 0.240 45.356 45.100 0.026 0.000 0.724 377 G HN 0.159 nan 8.290 nan 0.000 0.514 378 D N 0.829 121.235 120.400 0.009 0.000 2.934 378 D HA 0.202 4.840 4.640 -0.002 0.000 0.237 378 D C 2.063 178.296 176.300 -0.112 0.000 1.158 378 D CA 0.494 54.466 54.000 -0.047 0.000 0.971 378 D CB 0.300 41.098 40.800 -0.004 0.000 1.123 378 D HN 0.631 nan 8.370 nan 0.000 0.467 379 V N -0.450 119.370 119.914 -0.156 0.000 3.488 379 V HA -0.161 3.958 4.120 -0.002 0.000 0.273 379 V C 1.858 177.866 176.094 -0.144 0.000 1.209 379 V CA 0.754 62.961 62.300 -0.154 0.000 1.179 379 V CB -0.452 31.229 31.823 -0.235 0.000 0.842 379 V HN 0.236 nan 8.190 nan 0.000 0.515 380 Q N 0.650 120.361 119.800 -0.148 0.000 2.398 380 Q HA 0.174 4.512 4.340 -0.002 0.000 0.204 380 Q C 0.776 176.673 176.000 -0.172 0.000 0.932 380 Q CA 0.320 56.038 55.803 -0.142 0.000 0.916 380 Q CB -0.181 28.483 28.738 -0.124 0.000 1.024 380 Q HN 0.678 nan 8.270 nan 0.000 0.504 381 L N 2.330 123.429 121.223 -0.207 0.000 2.417 381 L HA 0.231 4.570 4.340 -0.002 0.000 0.268 381 L C 0.166 176.869 176.870 -0.278 0.000 1.158 381 L CA -0.533 54.146 54.840 -0.269 0.000 0.819 381 L CB 0.399 42.239 42.059 -0.365 0.000 1.112 381 L HN 0.069 nan 8.230 nan 0.000 0.458 382 N N 0.989 119.441 118.700 -0.412 0.000 2.508 382 N HA 0.373 5.112 4.740 -0.002 0.000 0.264 382 N C -1.240 174.078 175.510 -0.320 0.000 1.216 382 N CA -0.218 52.421 53.050 -0.685 0.000 0.943 382 N CB 0.668 38.191 38.487 -1.606 0.000 1.113 382 N HN 0.220 nan 8.380 nan 0.000 0.447 383 F N -0.003 119.930 119.950 -0.027 0.000 2.546 383 F HA 0.261 4.787 4.527 -0.002 0.000 0.320 383 F C 0.277 176.065 175.800 -0.019 0.000 1.076 383 F CA -0.860 57.127 58.000 -0.022 0.000 0.928 383 F CB 1.326 40.321 39.000 -0.009 0.000 1.189 383 F HN 0.422 nan 8.300 nan 0.000 0.465 384 D N 2.058 122.551 120.400 0.155 0.000 2.701 384 D HA -0.199 4.439 4.640 -0.002 0.000 0.235 384 D C 1.300 177.662 176.300 0.104 0.000 1.155 384 D CA 0.458 54.525 54.000 0.112 0.000 0.649 384 D CB -0.440 40.429 40.800 0.114 0.000 1.050 384 D HN 0.415 nan 8.370 nan 0.000 0.425 385 M N -1.320 118.310 119.600 0.050 0.000 2.099 385 M HA -0.075 4.403 4.480 -0.002 0.000 0.262 385 M C -0.529 175.814 176.300 0.073 0.000 1.067 385 M CA 1.623 56.949 55.300 0.044 0.000 1.124 385 M CB -1.858 30.733 32.600 -0.014 0.000 1.353 385 M HN 0.059 nan 8.290 nan 0.000 0.410 386 P HA -0.201 nan 4.420 nan 0.000 0.215 386 P C 1.646 179.016 177.300 0.118 0.000 1.157 386 P CA 1.306 64.431 63.100 0.042 0.000 0.874 386 P CB -0.354 31.353 31.700 0.011 0.000 0.790 387 F N 0.006 119.951 119.950 -0.008 0.000 2.075 387 F HA -0.157 4.368 4.527 -0.002 0.000 0.297 387 F C 2.058 177.825 175.800 -0.054 0.000 1.113 387 F CA 1.460 59.441 58.000 -0.032 0.000 1.218 387 F CB -0.928 38.027 39.000 -0.075 0.000 0.984 387 F HN -0.233 nan 8.300 nan 0.000 0.472 388 I N -0.875 119.573 120.570 -0.204 0.000 2.226 388 I HA -0.290 3.879 4.170 -0.002 0.000 0.245 388 I C 2.358 178.349 176.117 -0.210 0.000 1.100 388 I CA 1.405 62.485 61.300 -0.367 0.000 1.374 388 I CB -0.654 37.223 38.000 -0.205 0.000 1.057 388 I HN 0.178 nan 8.210 nan 0.000 0.413 389 F N 1.738 121.599 119.950 -0.149 0.000 2.126 389 F HA -0.281 4.245 4.527 -0.002 0.000 0.299 389 F C 2.498 178.251 175.800 -0.078 0.000 1.096 389 F CA 1.657 59.621 58.000 -0.061 0.000 1.255 389 F CB -0.179 38.796 39.000 -0.041 0.000 0.997 389 F HN 0.011 nan 8.300 nan 0.000 0.479 390 A N -0.143 122.726 122.820 0.083 0.000 1.969 390 A HA -0.179 4.140 4.320 -0.002 0.000 0.218 390 A C 2.069 179.560 177.584 -0.156 0.000 1.169 390 A CA 1.709 53.754 52.037 0.013 0.000 0.635 390 A CB -0.795 18.212 19.000 0.010 0.000 0.810 390 A HN 0.554 nan 8.150 nan 0.000 0.445 391 E N -0.340 119.643 120.200 -0.362 0.000 2.085 391 E HA -0.158 4.191 4.350 -0.002 0.000 0.194 391 E C 1.931 178.449 176.600 -0.137 0.000 0.994 391 E CA 1.821 58.017 56.400 -0.340 0.000 0.801 391 E CB -0.268 29.127 29.700 -0.509 0.000 0.743 391 E HN 0.675 nan 8.360 nan 0.000 0.453 392 V N -1.983 117.842 119.914 -0.149 0.000 3.471 392 V HA 0.184 4.303 4.120 -0.002 0.000 0.258 392 V C 0.906 176.913 176.094 -0.145 0.000 1.192 392 V CA 0.879 63.114 62.300 -0.109 0.000 1.116 392 V CB 0.252 32.010 31.823 -0.108 0.000 0.792 392 V HN 0.057 nan 8.190 nan 0.000 0.459 393 N N 0.412 118.998 118.700 -0.191 0.000 2.381 393 N HA 0.476 5.214 4.740 -0.002 0.000 0.257 393 N C 0.075 175.660 175.510 0.126 0.000 1.409 393 N CA 0.462 53.441 53.050 -0.118 0.000 0.836 393 N CB 0.897 39.181 38.487 -0.340 0.000 1.384 393 N HN 0.656 nan 8.380 nan 0.000 0.490 394 A N -0.074 122.819 122.820 0.122 0.000 2.386 394 A HA 0.346 4.665 4.320 -0.002 0.000 0.248 394 A C -0.165 177.503 177.584 0.141 0.000 1.082 394 A CA -0.045 52.135 52.037 0.238 0.000 0.789 394 A CB 0.249 19.330 19.000 0.134 0.000 1.025 394 A HN 0.290 nan 8.150 nan 0.000 0.490 395 D N 0.170 120.666 120.400 0.160 0.000 2.313 395 D HA 0.368 5.007 4.640 -0.002 0.000 0.247 395 D C 0.159 176.466 176.300 0.012 0.000 1.094 395 D CA 0.175 54.166 54.000 -0.015 0.000 0.925 395 D CB 0.841 41.596 40.800 -0.075 0.000 1.188 395 D HN 0.502 nan 8.370 nan 0.000 0.430 396 R N 2.087 122.561 120.500 -0.042 0.000 2.343 396 R HA 0.464 4.803 4.340 -0.002 0.000 0.320 396 R C -0.782 175.480 176.300 -0.063 0.000 0.956 396 R CA -0.542 55.539 56.100 -0.031 0.000 0.836 396 R CB 0.429 30.703 30.300 -0.042 0.000 1.151 396 R HN 0.392 nan 8.270 nan 0.000 0.450 397 I N 3.523 124.063 120.570 -0.051 0.000 2.336 397 I HA 0.238 4.407 4.170 -0.002 0.000 0.292 397 I C -0.079 175.909 176.117 -0.216 0.000 0.991 397 I CA -0.594 60.601 61.300 -0.176 0.000 1.227 397 I CB 2.124 40.035 38.000 -0.149 0.000 1.366 397 I HN 0.516 nan 8.210 nan 0.000 0.466 398 T N 4.954 119.326 114.554 -0.304 0.000 2.767 398 T HA 0.410 4.759 4.350 -0.002 0.000 0.284 398 T C -0.928 173.561 174.700 -0.351 0.000 0.973 398 T CA -0.324 61.669 62.100 -0.177 0.000 0.996 398 T CB 0.496 69.330 68.868 -0.056 0.000 0.927 398 T HN 0.325 nan 8.240 nan 0.000 0.456 399 W N 2.220 123.373 121.300 -0.245 0.000 2.719 399 W HA 0.683 5.342 4.660 -0.002 0.000 0.352 399 W C -0.782 175.618 176.519 -0.199 0.000 1.085 399 W CA -1.027 56.161 57.345 -0.262 0.000 1.187 399 W CB 0.951 30.156 29.460 -0.425 0.000 1.417 399 W HN 0.168 nan 8.180 nan 0.000 0.557 400 L N 2.168 123.286 121.223 -0.175 0.000 2.329 400 L HA 0.473 4.812 4.340 -0.002 0.000 0.279 400 L C -1.359 175.170 176.870 -0.568 0.000 1.014 400 L CA -1.153 53.352 54.840 -0.559 0.000 0.814 400 L CB 1.298 42.563 42.059 -1.323 0.000 1.257 400 L HN 0.612 nan 8.230 nan 0.000 0.424 401 Y N 2.695 122.737 120.300 -0.430 0.000 2.361 401 Y HA 0.317 4.865 4.550 -0.002 0.000 0.328 401 Y C -0.881 174.951 175.900 -0.112 0.000 1.044 401 Y CA -0.725 57.239 58.100 -0.226 0.000 1.085 401 Y CB 1.561 39.989 38.460 -0.052 0.000 1.194 401 Y HN 0.534 nan 8.280 nan 0.000 0.438 402 D N 5.424 125.443 120.400 -0.635 0.000 2.454 402 D HA 0.128 4.766 4.640 -0.002 0.000 0.225 402 D C 0.470 176.321 176.300 -0.747 0.000 1.081 402 D CA 0.078 53.833 54.000 -0.408 0.000 0.864 402 D CB 0.755 41.575 40.800 0.032 0.000 1.040 402 D HN 0.973 nan 8.370 nan 0.000 0.517 403 N N 1.861 120.154 118.700 -0.679 0.000 2.205 403 N HA -0.206 4.533 4.740 -0.002 0.000 0.186 403 N C 1.584 176.997 175.510 -0.161 0.000 1.015 403 N CA 1.591 54.416 53.050 -0.375 0.000 0.862 403 N CB 0.410 38.897 38.487 -0.000 0.000 0.986 403 N HN 0.448 nan 8.380 nan 0.000 0.429 404 T N -2.296 112.187 114.554 -0.119 0.000 2.788 404 T HA -0.138 4.210 4.350 -0.002 0.000 0.268 404 T C 1.960 176.634 174.700 -0.043 0.000 1.044 404 T CA 1.884 63.953 62.100 -0.052 0.000 1.139 404 T CB -0.808 68.043 68.868 -0.028 0.000 0.867 404 T HN 0.314 nan 8.240 nan 0.000 0.454 405 T N -2.673 111.846 114.554 -0.058 0.000 3.044 405 T HA 0.473 4.822 4.350 -0.002 0.000 0.250 405 T C 1.935 176.627 174.700 -0.014 0.000 1.081 405 T CA 0.631 62.718 62.100 -0.020 0.000 1.040 405 T CB -0.342 68.531 68.868 0.008 0.000 0.962 405 T HN 0.981 nan 8.240 nan 0.000 0.506 406 G N 1.796 110.547 108.800 -0.081 0.000 2.168 406 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.263 406 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.263 406 G C -0.043 174.923 174.900 0.109 0.000 0.977 406 G CA 0.357 45.464 45.100 0.012 0.000 0.659 406 G HN 0.662 nan 8.290 nan 0.000 0.533 407 K N 0.273 120.724 120.400 0.085 0.000 2.205 407 K HA 0.469 4.788 4.320 -0.002 0.000 0.279 407 K C 0.244 177.128 176.600 0.473 0.000 1.027 407 K CA -0.267 56.196 56.287 0.293 0.000 0.932 407 K CB 1.148 33.831 32.500 0.306 0.000 1.032 407 K HN 0.395 nan 8.250 nan 0.000 0.466 408 Q N 3.779 123.914 119.800 0.559 0.000 2.321 408 Q HA 0.402 4.740 4.340 -0.002 0.000 0.270 408 Q C -1.965 174.461 176.000 0.710 0.000 1.032 408 Q CA -0.899 55.236 55.803 0.553 0.000 0.784 408 Q CB 1.123 30.080 28.738 0.366 0.000 1.264 408 Q HN 0.685 nan 8.270 nan 0.000 0.448 409 W N 2.426 124.001 121.300 0.457 0.000 3.097 409 W HA 0.506 5.165 4.660 -0.002 0.000 0.335 409 W C -1.357 175.369 176.519 0.346 0.000 1.114 409 W CA -1.168 56.414 57.345 0.396 0.000 1.231 409 W CB 0.865 30.445 29.460 0.199 0.000 1.388 409 W HN 0.482 nan 8.180 nan 0.000 0.485 410 K N 3.206 123.743 120.400 0.229 0.000 2.447 410 K HA -0.084 4.235 4.320 -0.002 0.000 0.281 410 K C 0.825 177.306 176.600 -0.198 0.000 1.031 410 K CA 0.336 56.321 56.287 -0.504 0.000 1.019 410 K CB 0.510 32.616 32.500 -0.657 0.000 0.918 410 K HN 0.739 nan 8.250 nan 0.000 0.476 411 N N 1.512 120.041 118.700 -0.285 0.000 2.508 411 N HA -0.040 4.699 4.740 -0.002 0.000 0.186 411 N C -0.638 174.786 175.510 -0.144 0.000 1.034 411 N CA 0.707 53.685 53.050 -0.119 0.000 0.885 411 N CB 0.458 38.889 38.487 -0.094 0.000 1.135 411 N HN 0.631 nan 8.380 nan 0.000 0.435 412 S N -0.854 114.710 115.700 -0.226 0.000 2.611 412 S HA 0.560 5.029 4.470 -0.002 0.000 0.268 412 S C -1.308 173.167 174.600 -0.208 0.000 1.156 412 S CA -0.838 57.259 58.200 -0.172 0.000 0.817 412 S CB 2.105 65.243 63.200 -0.103 0.000 1.122 412 S HN -0.126 nan 8.310 nan 0.000 0.466 413 V N 1.961 121.787 119.914 -0.146 0.000 2.638 413 V HA 0.645 4.764 4.120 -0.002 0.000 0.306 413 V C -0.998 175.039 176.094 -0.096 0.000 1.052 413 V CA -0.607 61.612 62.300 -0.134 0.000 0.885 413 V CB 1.794 33.544 31.823 -0.122 0.000 0.999 413 V HN 0.938 nan 8.190 nan 0.000 0.424 414 N N 2.201 120.837 118.700 -0.107 0.000 2.442 414 N HA 0.244 4.982 4.740 -0.002 0.000 0.274 414 N C 0.464 175.883 175.510 -0.151 0.000 1.002 414 N CA -0.016 52.963 53.050 -0.119 0.000 0.910 414 N CB 2.248 40.622 38.487 -0.188 0.000 1.244 414 N HN 0.712 nan 8.380 nan 0.000 0.492 415 S N 2.086 117.719 115.700 -0.113 0.000 2.572 415 S HA 0.039 4.507 4.470 -0.002 0.000 0.228 415 S C 0.963 175.509 174.600 -0.090 0.000 0.963 415 S CA -0.134 57.970 58.200 -0.160 0.000 0.939 415 S CB -0.411 62.659 63.200 -0.216 0.000 0.804 415 S HN 0.758 nan 8.310 nan 0.000 0.480 416 H N -1.823 117.194 119.070 -0.088 0.000 3.205 416 H HA 0.232 4.786 4.556 -0.002 0.000 0.252 416 H C 1.591 176.884 175.328 -0.058 0.000 1.015 416 H CA 0.714 56.718 56.048 -0.072 0.000 1.192 416 H CB -0.333 29.391 29.762 -0.063 0.000 1.474 416 H HN 0.354 nan 8.280 nan 0.000 0.484 417 T N 1.319 115.487 114.554 -0.644 0.000 2.867 417 T HA 0.116 4.464 4.350 -0.002 0.000 0.268 417 T C 1.023 175.642 174.700 -0.134 0.000 1.057 417 T CA 0.195 62.058 62.100 -0.395 0.000 1.136 417 T CB -0.402 68.234 68.868 -0.387 0.000 0.874 417 T HN 0.213 nan 8.240 nan 0.000 0.466 418 I N 1.310 121.817 120.570 -0.104 0.000 2.529 418 I HA 0.380 4.549 4.170 -0.002 0.000 0.284 418 I C 1.087 177.185 176.117 -0.031 0.000 1.082 418 I CA 0.256 61.535 61.300 -0.036 0.000 1.406 418 I CB 0.822 38.806 38.000 -0.026 0.000 1.405 418 I HN 0.403 nan 8.210 nan 0.000 0.548 419 G N 5.633 114.432 108.800 -0.001 0.000 2.587 419 G HA2 -0.215 3.743 3.960 -0.002 0.000 0.274 419 G HA3 -0.215 3.743 3.960 -0.002 0.000 0.274 419 G C -0.350 174.529 174.900 -0.035 0.000 1.046 419 G CA -0.577 44.513 45.100 -0.018 0.000 1.308 419 G HN 0.687 nan 8.290 nan 0.000 0.529 420 R N -0.116 120.388 120.500 0.006 0.000 2.807 420 R HA 0.551 4.890 4.340 -0.002 0.000 0.276 420 R C 0.306 176.621 176.300 0.025 0.000 0.979 420 R CA -1.243 54.780 56.100 -0.128 0.000 0.928 420 R CB 1.270 31.420 30.300 -0.250 0.000 1.191 420 R HN 0.524 nan 8.270 nan 0.000 0.471 421 Y N 0.384 120.709 120.300 0.042 0.000 3.054 421 Y HA -0.247 4.302 4.550 -0.002 0.000 0.210 421 Y C 0.175 176.136 175.900 0.101 0.000 1.212 421 Y CA -0.210 57.892 58.100 0.003 0.000 1.118 421 Y CB -1.706 36.651 38.460 -0.171 0.000 1.292 421 Y HN 0.472 nan 8.280 nan 0.000 0.533 422 I N 1.182 121.813 120.570 0.101 0.000 2.664 422 I HA 0.011 4.180 4.170 -0.002 0.000 0.284 422 I C 0.557 176.643 176.117 -0.053 0.000 1.154 422 I CA 0.727 62.003 61.300 -0.041 0.000 1.402 422 I CB 0.336 38.242 38.000 -0.157 0.000 1.395 422 I HN 0.217 nan 8.210 nan 0.000 0.545 423 S N 4.042 119.679 115.700 -0.106 0.000 2.599 423 S HA 0.729 5.198 4.470 -0.002 0.000 0.294 423 S C -0.282 174.219 174.600 -0.164 0.000 1.094 423 S CA -0.731 57.348 58.200 -0.201 0.000 0.931 423 S CB 2.500 65.455 63.200 -0.408 0.000 1.093 423 S HN 0.697 nan 8.310 nan 0.000 0.488 424 T N 0.599 115.071 114.554 -0.137 0.000 2.853 424 T HA 0.399 4.748 4.350 -0.002 0.000 0.311 424 T C -1.448 173.373 174.700 0.203 0.000 1.307 424 T CA -0.772 61.357 62.100 0.048 0.000 1.019 424 T CB 1.268 70.093 68.868 -0.071 0.000 1.264 424 T HN 0.635 nan 8.240 nan 0.000 0.497 425 K N 2.205 122.819 120.400 0.355 0.000 2.448 425 K HA 0.532 4.850 4.320 -0.002 0.000 0.278 425 K C 0.341 177.052 176.600 0.184 0.000 1.009 425 K CA -0.257 56.238 56.287 0.347 0.000 0.995 425 K CB 0.386 33.024 32.500 0.229 0.000 0.917 425 K HN 0.703 nan 8.250 nan 0.000 0.481 426 A N 3.325 126.232 122.820 0.145 0.000 2.425 426 A HA 0.176 4.495 4.320 -0.002 0.000 0.242 426 A C -0.292 177.306 177.584 0.023 0.000 1.077 426 A CA -0.573 51.505 52.037 0.068 0.000 0.781 426 A CB 0.516 19.547 19.000 0.051 0.000 1.020 426 A HN 0.559 nan 8.150 nan 0.000 0.494 427 V N 1.867 121.764 119.914 -0.029 0.000 2.479 427 V HA 0.424 4.542 4.120 -0.002 0.000 0.281 427 V C 1.587 177.636 176.094 -0.075 0.000 1.031 427 V CA 1.487 63.712 62.300 -0.125 0.000 1.038 427 V CB -0.071 31.648 31.823 -0.173 0.000 0.981 427 V HN 1.903 nan 8.190 nan 0.000 0.478 428 G N 4.026 112.781 108.800 -0.074 0.000 2.184 428 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.264 428 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.264 428 G C 0.241 175.136 174.900 -0.008 0.000 0.975 428 G CA 0.671 45.748 45.100 -0.037 0.000 0.642 428 G HN 1.507 nan 8.290 nan 0.000 0.536 429 S N -2.095 113.608 115.700 0.005 0.000 2.688 429 S HA 0.561 5.030 4.470 -0.002 0.000 0.275 429 S C 0.206 174.830 174.600 0.040 0.000 1.175 429 S CA 0.012 58.224 58.200 0.019 0.000 0.818 429 S CB 0.827 64.038 63.200 0.018 0.000 1.157 429 S HN 0.159 nan 8.310 nan 0.000 0.482 430 N N 0.314 119.038 118.700 0.040 0.000 2.322 430 N HA 0.302 5.040 4.740 -0.002 0.000 0.194 430 N C 0.587 176.177 175.510 0.133 0.000 1.126 430 N CA 0.047 53.130 53.050 0.053 0.000 0.845 430 N CB 0.287 38.777 38.487 0.004 0.000 0.976 430 N HN 0.770 nan 8.380 nan 0.000 0.475 431 A N 1.626 124.515 122.820 0.115 0.000 2.448 431 A HA 0.056 4.375 4.320 -0.002 0.000 0.239 431 A C 0.526 178.232 177.584 0.203 0.000 1.080 431 A CA -0.013 52.097 52.037 0.123 0.000 0.779 431 A CB 0.272 19.303 19.000 0.052 0.000 1.026 431 A HN 0.321 nan 8.150 nan 0.000 0.499 432 R N 1.887 122.438 120.500 0.086 0.000 2.221 432 R HA 0.465 4.803 4.340 -0.002 0.000 0.327 432 R C -0.531 175.640 176.300 -0.214 0.000 1.033 432 R CA -0.168 55.781 56.100 -0.251 0.000 0.887 432 R CB 0.342 30.284 30.300 -0.597 0.000 1.057 432 R HN 0.803 nan 8.270 nan 0.000 0.455 433 M N 4.820 124.308 119.600 -0.187 0.000 2.088 433 M HA 0.178 4.657 4.480 -0.002 0.000 0.346 433 M C -0.951 175.264 176.300 -0.141 0.000 1.111 433 M CA -0.442 54.793 55.300 -0.108 0.000 1.017 433 M CB 1.196 33.776 32.600 -0.033 0.000 1.568 433 M HN 0.542 nan 8.290 nan 0.000 0.445 434 D N 4.541 124.881 120.400 -0.100 0.000 2.295 434 D HA 0.217 4.856 4.640 -0.002 0.000 0.248 434 D C 0.249 176.535 176.300 -0.023 0.000 1.154 434 D CA -0.049 53.914 54.000 -0.062 0.000 0.857 434 D CB 1.297 42.085 40.800 -0.020 0.000 1.117 434 D HN 0.592 nan 8.370 nan 0.000 0.468 435 V N 1.345 121.256 119.914 -0.005 0.000 3.006 435 V HA 0.145 4.264 4.120 -0.002 0.000 0.357 435 V C 1.498 177.664 176.094 0.122 0.000 1.377 435 V CA -0.325 62.001 62.300 0.044 0.000 1.198 435 V CB -0.006 31.841 31.823 0.041 0.000 1.216 435 V HN 0.405 nan 8.190 nan 0.000 0.520 436 T N 2.261 116.858 114.554 0.072 0.000 2.720 436 T HA -0.196 4.152 4.350 -0.002 0.000 0.268 436 T C 1.592 176.341 174.700 0.082 0.000 1.037 436 T CA 2.464 64.609 62.100 0.075 0.000 1.144 436 T CB -0.384 68.488 68.868 0.007 0.000 0.864 436 T HN 0.884 nan 8.240 nan 0.000 0.444 437 D N 1.224 121.645 120.400 0.035 0.000 2.309 437 D HA -0.108 4.530 4.640 -0.002 0.000 0.212 437 D C 1.732 178.010 176.300 -0.036 0.000 0.968 437 D CA 0.767 54.762 54.000 -0.009 0.000 0.882 437 D CB -0.167 40.621 40.800 -0.020 0.000 0.918 437 D HN 0.208 nan 8.370 nan 0.000 0.503 438 K N -0.441 119.963 120.400 0.007 0.000 2.243 438 K HA -0.020 4.299 4.320 -0.002 0.000 0.201 438 K C 1.462 177.990 176.600 -0.119 0.000 1.051 438 K CA 0.415 56.664 56.287 -0.063 0.000 0.970 438 K CB -0.267 32.192 32.500 -0.068 0.000 0.755 438 K HN 0.329 nan 8.250 nan 0.000 0.465 439 Y N 1.307 121.594 120.300 -0.021 0.000 2.510 439 Y HA 0.042 4.590 4.550 -0.002 0.000 0.273 439 Y C 0.712 176.583 175.900 -0.048 0.000 1.119 439 Y CA 0.162 58.256 58.100 -0.010 0.000 1.286 439 Y CB 0.571 39.042 38.460 0.019 0.000 1.061 439 Y HN -0.056 nan 8.280 nan 0.000 0.542 440 K N -2.139 118.303 120.400 0.070 0.000 2.597 440 K HA 0.222 4.541 4.320 -0.002 0.000 0.282 440 K C -1.747 174.855 176.600 0.003 0.000 0.975 440 K CA -0.871 55.447 56.287 0.052 0.000 0.867 440 K CB 0.675 33.203 32.500 0.046 0.000 1.465 440 K HN -0.164 nan 8.250 nan 0.000 0.417 441 Y N 0.849 121.187 120.300 0.063 0.000 2.314 441 Y HA 0.221 4.770 4.550 -0.002 0.000 0.334 441 Y C -1.902 174.019 175.900 0.036 0.000 1.266 441 Y CA -1.478 56.654 58.100 0.053 0.000 1.391 441 Y CB 0.321 38.820 38.460 0.065 0.000 1.306 441 Y HN 0.442 nan 8.280 nan 0.000 0.558 442 P HA -0.073 nan 4.420 nan 0.000 0.262 442 P C -0.800 176.548 177.300 0.081 0.000 1.182 442 P CA 0.268 63.423 63.100 0.092 0.000 0.761 442 P CB 0.419 32.165 31.700 0.077 0.000 0.795 443 E N 2.363 122.588 120.200 0.042 0.000 2.415 443 E HA 0.210 4.558 4.350 -0.002 0.000 0.260 443 E C 1.548 178.156 176.600 0.013 0.000 1.016 443 E CA 1.141 57.559 56.400 0.031 0.000 0.924 443 E CB -0.015 29.700 29.700 0.025 0.000 0.961 443 E HN 0.779 nan 8.360 nan 0.000 0.459 444 G N 2.723 111.529 108.800 0.010 0.000 2.238 444 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.217 444 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.217 444 G C 0.455 175.357 174.900 0.004 0.000 0.996 444 G CA 0.228 45.324 45.100 -0.008 0.000 0.632 444 G HN 0.658 nan 8.290 nan 0.000 0.503 445 S N 0.276 115.992 115.700 0.026 0.000 2.632 445 S HA 0.572 5.041 4.470 -0.002 0.000 0.267 445 S C 0.809 175.416 174.600 0.011 0.000 1.276 445 S CA 0.344 58.561 58.200 0.028 0.000 0.998 445 S CB 1.702 64.941 63.200 0.066 0.000 0.953 445 S HN 0.026 nan 8.310 nan 0.000 0.547 446 D N 0.886 121.283 120.400 -0.006 0.000 2.149 446 D HA -0.055 4.584 4.640 -0.002 0.000 0.201 446 D C 1.953 178.221 176.300 -0.053 0.000 0.972 446 D CA 1.214 55.201 54.000 -0.021 0.000 0.835 446 D CB -0.397 40.388 40.800 -0.024 0.000 0.966 446 D HN 0.593 nan 8.370 nan 0.000 0.476 447 Q N 0.794 120.529 119.800 -0.109 0.000 2.096 447 Q HA -0.157 4.182 4.340 -0.002 0.000 0.204 447 Q C 1.978 177.848 176.000 -0.216 0.000 0.982 447 Q CA 1.020 56.639 55.803 -0.307 0.000 0.850 447 Q CB -0.271 28.100 28.738 -0.611 0.000 0.901 447 Q HN 0.269 nan 8.270 nan 0.000 0.422 448 E N 0.336 120.526 120.200 -0.017 0.000 2.085 448 E HA -0.205 4.144 4.350 -0.002 0.000 0.194 448 E C 1.632 178.315 176.600 0.139 0.000 0.994 448 E CA 1.065 57.539 56.400 0.122 0.000 0.801 448 E CB 0.197 29.974 29.700 0.128 0.000 0.743 448 E HN 0.147 nan 8.360 nan 0.000 0.453 449 R N 0.323 120.869 120.500 0.076 0.000 2.153 449 R HA 0.021 4.360 4.340 -0.002 0.000 0.218 449 R C 2.387 178.774 176.300 0.144 0.000 1.072 449 R CA 0.725 56.889 56.100 0.107 0.000 0.990 449 R CB -0.530 29.791 30.300 0.035 0.000 0.889 449 R HN 0.377 nan 8.270 nan 0.000 0.452 450 Q N 0.011 119.845 119.800 0.057 0.000 2.016 450 Q HA -0.060 4.278 4.340 -0.002 0.000 0.200 450 Q C 2.082 178.117 176.000 0.057 0.000 0.978 450 Q CA 1.502 57.322 55.803 0.028 0.000 0.833 450 Q CB -0.123 28.586 28.738 -0.048 0.000 0.895 450 Q HN 0.030 nan 8.270 nan 0.000 0.427 451 V N 0.681 120.633 119.914 0.064 0.000 2.469 451 V HA -0.251 3.867 4.120 -0.002 0.000 0.251 451 V C 1.897 178.109 176.094 0.195 0.000 1.064 451 V CA 1.690 64.069 62.300 0.131 0.000 1.066 451 V CB -0.607 31.360 31.823 0.239 0.000 0.667 451 V HN 0.304 nan 8.190 nan 0.000 0.461 452 F N 0.743 120.789 119.950 0.159 0.000 2.102 452 F HA -0.178 4.348 4.527 -0.002 0.000 0.298 452 F C 2.591 178.413 175.800 0.037 0.000 1.105 452 F CA 1.741 59.849 58.000 0.179 0.000 1.239 452 F CB -0.151 38.952 39.000 0.172 0.000 0.991 452 F HN 0.082 nan 8.300 nan 0.000 0.474 453 Q N 0.687 120.583 119.800 0.160 0.000 2.167 453 Q HA -0.208 4.130 4.340 -0.002 0.000 0.202 453 Q C 2.251 178.200 176.000 -0.084 0.000 0.970 453 Q CA 1.511 57.337 55.803 0.037 0.000 0.855 453 Q CB -0.575 28.214 28.738 0.085 0.000 0.911 453 Q HN 0.510 nan 8.270 nan 0.000 0.438 454 K N 0.474 120.829 120.400 -0.075 0.000 2.002 454 K HA -0.118 4.200 4.320 -0.002 0.000 0.209 454 K C 2.016 178.490 176.600 -0.209 0.000 1.048 454 K CA 1.339 57.562 56.287 -0.107 0.000 0.930 454 K CB -0.094 32.367 32.500 -0.066 0.000 0.714 454 K HN 0.093 nan 8.250 nan 0.000 0.438 455 A N 1.484 124.094 122.820 -0.349 0.000 1.877 455 A HA -0.165 4.154 4.320 -0.002 0.000 0.216 455 A C 2.103 179.407 177.584 -0.468 0.000 1.186 455 A CA 1.500 53.200 52.037 -0.561 0.000 0.620 455 A CB -0.766 17.521 19.000 -1.189 0.000 0.822 455 A HN 0.418 nan 8.150 nan 0.000 0.443 456 L N 0.292 121.222 121.223 -0.490 0.000 2.079 456 L HA -0.083 4.256 4.340 -0.002 0.000 0.210 456 L C 2.383 179.126 176.870 -0.212 0.000 1.081 456 L CA 2.314 56.933 54.840 -0.367 0.000 0.752 456 L CB -1.078 40.760 42.059 -0.368 0.000 0.896 456 L HN 0.322 nan 8.230 nan 0.000 0.433 457 G N -1.055 107.640 108.800 -0.176 0.000 2.432 457 G HA2 -0.263 3.695 3.960 -0.002 0.000 0.219 457 G HA3 -0.263 3.695 3.960 -0.002 0.000 0.219 457 G C 1.645 176.476 174.900 -0.115 0.000 1.135 457 G CA 0.718 45.749 45.100 -0.115 0.000 0.767 457 G HN 0.437 nan 8.290 nan 0.000 0.550 458 K N -0.419 119.891 120.400 -0.149 0.000 2.432 458 K HA 0.219 4.537 4.320 -0.002 0.000 0.196 458 K C 0.902 177.427 176.600 -0.124 0.000 1.038 458 K CA -0.189 56.018 56.287 -0.133 0.000 0.986 458 K CB 0.003 32.409 32.500 -0.156 0.000 0.782 458 K HN 0.273 nan 8.250 nan 0.000 0.485 474 E N 1.274 121.492 120.200 0.031 0.000 2.336 474 E HA 0.662 5.011 4.350 -0.002 0.000 0.267 474 E C -1.147 175.462 176.600 0.015 0.000 0.906 474 E CA -0.782 55.633 56.400 0.025 0.000 0.781 474 E CB 2.438 32.147 29.700 0.015 0.000 1.261 474 E HN 0.529 nan 8.360 nan 0.000 0.436 475 T N 1.677 116.238 114.554 0.012 0.000 2.791 475 T HA 0.206 4.555 4.350 -0.002 0.000 0.288 475 T C -0.618 174.082 174.700 0.001 0.000 0.999 475 T CA -0.690 61.414 62.100 0.006 0.000 0.952 475 T CB 0.694 69.565 68.868 0.005 0.000 0.938 475 T HN 0.306 nan 8.240 nan 0.000 0.444 476 E N 3.087 123.286 120.200 -0.002 0.000 2.217 476 E HA 0.125 4.473 4.350 -0.002 0.000 0.279 476 E C 0.073 176.671 176.600 -0.004 0.000 1.068 476 E CA -0.159 56.237 56.400 -0.006 0.000 0.882 476 E CB 0.960 30.655 29.700 -0.008 0.000 1.039 476 E HN 0.575 nan 8.360 nan 0.000 0.418 477 E N 2.433 122.630 120.200 -0.004 0.000 2.345 477 E HA 0.013 4.362 4.350 -0.002 0.000 0.259 477 E C 0.116 176.714 176.600 -0.004 0.000 1.117 477 E CA -0.450 55.948 56.400 -0.003 0.000 0.913 477 E CB 0.664 30.364 29.700 -0.000 0.000 1.057 477 E HN 0.445 nan 8.360 nan 0.000 0.432 478 Q N 1.175 120.974 119.800 -0.003 0.000 2.524 478 Q HA 0.051 4.390 4.340 -0.002 0.000 0.246 478 Q C -0.341 175.657 176.000 -0.003 0.000 1.063 478 Q CA -0.498 55.304 55.803 -0.003 0.000 0.945 478 Q CB 0.388 29.125 28.738 -0.003 0.000 1.292 478 Q HN 0.241 nan 8.270 nan 0.000 0.518 479 E N 1.564 121.762 120.200 -0.003 0.000 2.708 479 E HA -0.034 4.315 4.350 -0.002 0.000 0.260 479 E C -2.047 174.553 176.600 -0.001 0.000 0.937 479 E CA -0.607 55.791 56.400 -0.003 0.000 0.953 479 E CB -0.366 29.332 29.700 -0.003 0.000 0.915 479 E HN 0.464 nan 8.360 nan 0.000 0.487 480 P HA -0.034 nan 4.420 nan 0.000 0.265 480 P C 0.778 178.081 177.300 0.004 0.000 1.193 480 P CA 0.215 63.316 63.100 0.003 0.000 0.765 480 P CB 0.733 32.435 31.700 0.003 0.000 0.823 481 S N 3.452 119.155 115.700 0.005 0.000 2.399 481 S HA -0.046 4.422 4.470 -0.002 0.000 0.231 481 S C 0.894 175.498 174.600 0.007 0.000 1.022 481 S CA 0.879 59.082 58.200 0.005 0.000 0.983 481 S CB -0.270 62.933 63.200 0.005 0.000 0.803 481 S HN 0.255 nan 8.310 nan 0.000 0.480 482 I N 2.940 123.515 120.570 0.008 0.000 2.441 482 I HA 0.460 4.629 4.170 -0.002 0.000 0.295 482 I C -0.103 176.019 176.117 0.008 0.000 0.994 482 I CA -1.085 60.221 61.300 0.009 0.000 1.144 482 I CB 1.431 39.438 38.000 0.011 0.000 1.314 482 I HN 0.313 nan 8.210 nan 0.000 0.445 483 I N 2.036 122.612 120.570 0.010 0.000 2.545 483 I HA 0.958 5.127 4.170 -0.002 0.000 0.292 483 I C -0.218 175.907 176.117 0.013 0.000 1.040 483 I CA -0.466 60.840 61.300 0.009 0.000 1.068 483 I CB 2.305 40.310 38.000 0.008 0.000 1.251 483 I HN 0.546 nan 8.210 nan 0.000 0.424 484 G N 3.877 112.685 108.800 0.013 0.000 2.642 484 G HA2 0.671 4.630 3.960 -0.002 0.000 0.293 484 G HA3 0.671 4.630 3.960 -0.002 0.000 0.293 484 G C -1.979 172.934 174.900 0.021 0.000 1.341 484 G CA -0.873 44.239 45.100 0.020 0.000 0.916 484 G HN 0.875 nan 8.290 nan 0.000 0.474 485 K N 0.338 120.755 120.400 0.028 0.000 2.546 485 K HA 0.537 4.856 4.320 -0.002 0.000 0.264 485 K C -1.616 175.005 176.600 0.035 0.000 0.937 485 K CA -0.767 55.537 56.287 0.029 0.000 0.833 485 K CB 2.119 34.634 32.500 0.026 0.000 1.378 485 K HN 0.376 nan 8.250 nan 0.000 0.432 486 L N 3.722 124.966 121.223 0.036 0.000 2.307 486 L HA 0.511 4.850 4.340 -0.002 0.000 0.284 486 L C -0.440 176.446 176.870 0.027 0.000 1.023 486 L CA -0.645 54.217 54.840 0.036 0.000 0.810 486 L CB 1.571 43.656 42.059 0.042 0.000 1.231 486 L HN 0.523 nan 8.230 nan 0.000 0.423 487 K N 2.383 122.794 120.400 0.019 0.000 2.318 487 K HA 0.556 4.875 4.320 -0.002 0.000 0.249 487 K C -1.162 175.438 176.600 0.001 0.000 0.942 487 K CA -0.887 55.407 56.287 0.012 0.000 0.808 487 K CB 2.946 35.453 32.500 0.011 0.000 1.189 487 K HN 0.189 nan 8.250 nan 0.000 0.428 488 V N 2.001 121.915 119.914 -0.001 0.000 2.530 488 V HA 0.292 4.411 4.120 -0.002 0.000 0.282 488 V C -0.086 176.002 176.094 -0.010 0.000 1.048 488 V CA -0.476 61.818 62.300 -0.009 0.000 0.997 488 V CB 1.092 32.912 31.823 -0.005 0.000 0.987 488 V HN 0.866 nan 8.190 nan 0.000 0.477 489 A N 4.531 127.341 122.820 -0.016 0.000 2.258 489 A HA 0.835 5.154 4.320 -0.002 0.000 0.316 489 A C 0.613 178.191 177.584 -0.010 0.000 1.279 489 A CA 0.281 52.310 52.037 -0.013 0.000 0.876 489 A CB 0.388 19.378 19.000 -0.018 0.000 1.170 489 A HN 1.915 nan 8.150 nan 0.000 0.520 490 G N 1.649 110.445 108.800 -0.006 0.000 2.693 490 G HA2 0.005 3.964 3.960 -0.002 0.000 0.226 490 G HA3 0.005 3.964 3.960 -0.002 0.000 0.226 490 G C 0.093 174.992 174.900 -0.001 0.000 1.354 490 G CA 0.034 45.132 45.100 -0.003 0.000 0.873 490 G HN 1.957 nan 8.290 nan 0.000 0.562 491 M N -1.006 118.596 119.600 0.003 0.000 2.359 491 M HA 0.834 5.313 4.480 -0.002 0.000 0.322 491 M C -0.188 176.120 176.300 0.015 0.000 1.166 491 M CA -0.606 54.697 55.300 0.006 0.000 1.067 491 M CB 1.399 34.002 32.600 0.006 0.000 1.523 491 M HN 0.419 nan 8.290 nan 0.000 0.467 492 L N 2.304 123.536 121.223 0.014 0.000 2.319 492 L HA 0.864 5.202 4.340 -0.002 0.000 0.281 492 L C -0.725 176.168 176.870 0.037 0.000 1.005 492 L CA -0.542 54.308 54.840 0.017 0.000 0.828 492 L CB 1.571 43.628 42.059 -0.004 0.000 1.227 492 L HN 1.005 nan 8.230 nan 0.000 0.415 493 A N 2.935 125.799 122.820 0.072 0.000 2.520 493 A HA 0.648 4.967 4.320 -0.002 0.000 0.298 493 A C -0.722 176.988 177.584 0.210 0.000 1.051 493 A CA -0.554 51.550 52.037 0.111 0.000 0.690 493 A CB 1.707 20.758 19.000 0.085 0.000 1.281 493 A HN 0.282 nan 8.150 nan 0.000 0.402 494 V N 2.237 122.319 119.914 0.281 0.000 2.475 494 V HA 0.421 4.540 4.120 -0.002 0.000 0.292 494 V C 1.479 177.852 176.094 0.465 0.000 1.003 494 V CA 1.968 64.555 62.300 0.479 0.000 1.120 494 V CB -0.174 31.988 31.823 0.565 0.000 0.937 494 V HN 2.129 nan 8.190 nan 0.000 0.476 495 G N 4.582 113.641 108.800 0.432 0.000 2.428 495 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.199 495 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.199 495 G C 0.189 175.076 174.900 -0.022 0.000 1.005 495 G CA -0.308 44.727 45.100 -0.109 0.000 0.671 495 G HN 0.572 nan 8.290 nan 0.000 0.485 496 K N 1.448 121.967 120.400 0.198 0.000 2.095 496 K HA 0.540 4.858 4.320 -0.002 0.000 0.252 496 K C 0.422 177.204 176.600 0.304 0.000 0.977 496 K CA -0.426 55.962 56.287 0.168 0.000 0.900 496 K CB 1.344 33.914 32.500 0.116 0.000 1.060 496 K HN 0.555 nan 8.250 nan 0.000 0.449 497 E N 0.270 120.597 120.200 0.212 0.000 2.374 497 E HA 0.179 4.527 4.350 -0.002 0.000 0.260 497 E C -0.816 175.901 176.600 0.196 0.000 1.101 497 E CA -0.763 55.783 56.400 0.243 0.000 0.907 497 E CB 0.852 30.631 29.700 0.131 0.000 1.014 497 E HN 0.033 nan 8.360 nan 0.000 0.427 498 V N 2.633 122.654 119.914 0.178 0.000 2.407 498 V HA 0.228 4.347 4.120 -0.002 0.000 0.278 498 V C -0.405 175.670 176.094 -0.031 0.000 1.037 498 V CA -0.757 61.567 62.300 0.040 0.000 0.900 498 V CB 1.035 32.842 31.823 -0.027 0.000 0.983 498 V HN 0.659 nan 8.190 nan 0.000 0.459 499 N N 5.444 124.119 118.700 -0.041 0.000 2.448 499 N HA 0.555 5.293 4.740 -0.002 0.000 0.279 499 N C -1.388 174.080 175.510 -0.070 0.000 1.025 499 N CA -0.518 52.493 53.050 -0.064 0.000 0.898 499 N CB 2.312 40.779 38.487 -0.032 0.000 1.303 499 N HN 0.304 nan 8.380 nan 0.000 0.495 500 L N 1.111 122.272 121.223 -0.104 0.000 2.256 500 L HA 0.680 5.018 4.340 -0.002 0.000 0.261 500 L C 0.015 176.849 176.870 -0.060 0.000 1.022 500 L CA -1.098 53.697 54.840 -0.076 0.000 0.828 500 L CB 1.425 43.431 42.059 -0.089 0.000 1.374 500 L HN 0.082 nan 8.230 nan 0.000 0.436 501 V N 1.784 121.684 119.914 -0.023 0.000 2.711 501 V HA 0.347 4.466 4.120 -0.002 0.000 0.304 501 V C -0.813 175.304 176.094 0.038 0.000 1.097 501 V CA -0.563 61.739 62.300 0.003 0.000 0.906 501 V CB 2.558 34.383 31.823 0.003 0.000 1.015 501 V HN 0.540 nan 8.190 nan 0.000 0.427 502 L N 6.461 127.734 121.223 0.084 0.000 2.260 502 L HA 0.564 4.902 4.340 -0.002 0.000 0.289 502 L C -0.684 176.239 176.870 0.088 0.000 1.057 502 L CA 0.380 55.280 54.840 0.101 0.000 0.811 502 L CB 0.628 42.783 42.059 0.159 0.000 1.184 502 L HN 0.558 nan 8.230 nan 0.000 0.429 503 L N 6.732 127.990 121.223 0.060 0.000 2.275 503 L HA 0.481 4.820 4.340 -0.002 0.000 0.288 503 L C -0.509 176.387 176.870 0.044 0.000 1.046 503 L CA -0.361 54.509 54.840 0.049 0.000 0.805 503 L CB 1.177 43.256 42.059 0.034 0.000 1.193 503 L HN 0.591 nan 8.230 nan 0.000 0.426 504 L N 3.911 125.160 121.223 0.044 0.000 2.323 504 L HA 0.660 4.999 4.340 -0.002 0.000 0.265 504 L C -0.505 176.381 176.870 0.027 0.000 1.012 504 L CA -0.833 54.027 54.840 0.034 0.000 0.820 504 L CB 2.421 44.502 42.059 0.036 0.000 1.334 504 L HN 0.501 nan 8.230 nan 0.000 0.427 505 K N 1.524 121.936 120.400 0.021 0.000 2.550 505 K HA 0.277 4.596 4.320 -0.002 0.000 0.252 505 K C -1.571 175.037 176.600 0.014 0.000 0.943 505 K CA -0.703 55.594 56.287 0.017 0.000 0.806 505 K CB 1.936 34.445 32.500 0.015 0.000 1.289 505 K HN 0.524 nan 8.250 nan 0.000 0.435 506 N N 4.707 123.415 118.700 0.013 0.000 2.426 506 N HA 0.231 4.970 4.740 -0.002 0.000 0.257 506 N C 0.024 175.539 175.510 0.008 0.000 1.002 506 N CA -0.363 52.693 53.050 0.010 0.000 0.942 506 N CB 0.709 39.202 38.487 0.010 0.000 1.112 506 N HN 0.643 nan 8.380 nan 0.000 0.499 507 L N 1.324 122.551 121.223 0.006 0.000 2.607 507 L HA 0.193 4.532 4.340 -0.002 0.000 0.228 507 L C 0.995 177.867 176.870 0.004 0.000 1.123 507 L CA -0.198 54.644 54.840 0.005 0.000 0.890 507 L CB -0.408 41.653 42.059 0.003 0.000 1.103 507 L HN 0.513 nan 8.230 nan 0.000 0.468 508 S N -0.444 115.258 115.700 0.004 0.000 2.655 508 S HA 0.272 4.741 4.470 -0.002 0.000 0.265 508 S C 1.044 175.646 174.600 0.003 0.000 1.240 508 S CA -0.690 57.512 58.200 0.003 0.000 0.986 508 S CB 1.155 64.356 63.200 0.003 0.000 0.985 508 S HN 0.105 nan 8.310 nan 0.000 0.562 509 R N 0.558 121.059 120.500 0.002 0.000 2.334 509 R HA 0.393 4.732 4.340 -0.002 0.000 0.220 509 R C -0.817 175.485 176.300 0.003 0.000 0.917 509 R CA 0.032 56.133 56.100 0.002 0.000 1.073 509 R CB -1.055 29.246 30.300 0.001 0.000 1.056 509 R HN 0.608 nan 8.270 nan 0.000 0.506 510 D N -0.334 120.067 120.400 0.003 0.000 2.419 510 D HA 0.213 4.852 4.640 -0.002 0.000 0.234 510 D C -0.394 175.909 176.300 0.004 0.000 1.014 510 D CA -0.389 53.613 54.000 0.003 0.000 0.919 510 D CB 1.593 42.394 40.800 0.002 0.000 1.366 510 D HN -0.262 nan 8.370 nan 0.000 0.490 511 T N 2.065 116.621 114.554 0.004 0.000 2.916 511 T HA 0.207 4.556 4.350 -0.002 0.000 0.303 511 T C 0.151 174.854 174.700 0.005 0.000 1.025 511 T CA -0.088 62.015 62.100 0.005 0.000 1.142 511 T CB 0.410 69.282 68.868 0.006 0.000 0.947 511 T HN -0.026 nan 8.240 nan 0.000 0.544 512 K N 2.550 122.954 120.400 0.006 0.000 2.378 512 K HA 0.437 4.756 4.320 -0.002 0.000 0.252 512 K C -0.410 176.194 176.600 0.007 0.000 0.931 512 K CA -0.668 55.623 56.287 0.006 0.000 0.794 512 K CB 2.206 34.710 32.500 0.007 0.000 1.181 512 K HN 0.444 nan 8.250 nan 0.000 0.425 513 T N 1.678 116.235 114.554 0.006 0.000 2.749 513 T HA 0.373 4.722 4.350 -0.002 0.000 0.287 513 T C -0.230 174.474 174.700 0.006 0.000 0.970 513 T CA -0.504 61.600 62.100 0.006 0.000 0.980 513 T CB 0.818 69.689 68.868 0.004 0.000 0.924 513 T HN 0.122 nan 8.240 nan 0.000 0.456 514 V N 4.083 124.000 119.914 0.005 0.000 2.417 514 V HA 0.417 4.535 4.120 -0.002 0.000 0.291 514 V C 0.373 176.466 176.094 -0.003 0.000 1.024 514 V CA -0.853 61.450 62.300 0.004 0.000 0.861 514 V CB 1.835 33.661 31.823 0.006 0.000 0.985 514 V HN 0.895 nan 8.190 nan 0.000 0.436 515 T N 4.639 119.193 114.554 0.000 0.000 2.744 515 T HA 0.563 4.911 4.350 -0.002 0.000 0.291 515 T C -0.266 174.429 174.700 -0.009 0.000 0.957 515 T CA -0.287 61.809 62.100 -0.005 0.000 1.002 515 T CB 1.245 70.116 68.868 0.005 0.000 0.919 515 T HN 0.390 nan 8.240 nan 0.000 0.468 516 V N 5.021 124.916 119.914 -0.032 0.000 2.487 516 V HA 0.472 4.591 4.120 -0.002 0.000 0.298 516 V C -0.398 175.673 176.094 -0.038 0.000 1.028 516 V CA -1.065 61.214 62.300 -0.035 0.000 0.860 516 V CB 1.677 33.461 31.823 -0.064 0.000 0.991 516 V HN 0.776 nan 8.190 nan 0.000 0.427 517 N N 5.250 123.948 118.700 -0.003 0.000 2.372 517 N HA 0.753 5.492 4.740 -0.002 0.000 0.285 517 N C -0.899 174.638 175.510 0.045 0.000 1.008 517 N CA -0.408 52.645 53.050 0.004 0.000 0.880 517 N CB 2.349 40.848 38.487 0.021 0.000 1.239 517 N HN 0.575 nan 8.380 nan 0.000 0.484 518 M N 0.390 120.018 119.600 0.047 0.000 2.644 518 M HA 0.517 4.995 4.480 -0.002 0.000 0.304 518 M C -0.064 176.324 176.300 0.146 0.000 1.215 518 M CA -0.658 54.745 55.300 0.172 0.000 0.871 518 M CB 2.593 35.415 32.600 0.370 0.000 1.740 518 M HN 0.577 nan 8.290 nan 0.000 0.464 519 T N -1.095 113.675 114.554 0.361 0.000 2.853 519 T HA 0.917 5.265 4.350 -0.002 0.000 0.311 519 T C -1.679 173.380 174.700 0.599 0.000 1.307 519 T CA -0.921 61.423 62.100 0.407 0.000 1.019 519 T CB 1.922 71.045 68.868 0.426 0.000 1.264 519 T HN 0.919 nan 8.240 nan 0.000 0.497 520 A N 1.026 124.190 122.820 0.574 0.000 2.375 520 A HA 0.698 5.017 4.320 -0.002 0.000 0.295 520 A C -1.865 175.932 177.584 0.355 0.000 1.066 520 A CA -0.876 51.444 52.037 0.472 0.000 0.722 520 A CB 0.765 20.020 19.000 0.424 0.000 1.206 520 A HN 0.728 nan 8.150 nan 0.000 0.435 521 W N 1.464 122.873 121.300 0.181 0.000 2.702 521 W HA 0.557 5.216 4.660 -0.002 0.000 0.331 521 W C 0.573 177.173 176.519 0.135 0.000 1.049 521 W CA -0.083 57.346 57.345 0.140 0.000 1.230 521 W CB 2.126 31.643 29.460 0.096 0.000 1.408 521 W HN 0.783 nan 8.180 nan 0.000 0.492 522 T N 1.706 116.469 114.554 0.348 0.000 2.913 522 T HA 0.718 5.067 4.350 -0.002 0.000 0.297 522 T C -0.166 174.710 174.700 0.293 0.000 1.029 522 T CA -0.381 61.887 62.100 0.279 0.000 1.104 522 T CB 0.853 69.881 68.868 0.266 0.000 0.964 522 T HN 0.455 nan 8.240 nan 0.000 0.532 523 I N -1.282 119.423 120.570 0.226 0.000 3.279 523 I HA 0.651 4.819 4.170 -0.002 0.000 0.315 523 I C -1.259 174.957 176.117 0.165 0.000 1.187 523 I CA -1.856 59.551 61.300 0.179 0.000 0.953 523 I CB 1.834 39.914 38.000 0.134 0.000 1.279 523 I HN 0.384 nan 8.210 nan 0.000 0.465 524 I N 2.206 122.844 120.570 0.114 0.000 2.566 524 I HA 0.142 4.311 4.170 -0.002 0.000 0.303 524 I C 0.967 177.124 176.117 0.066 0.000 0.983 524 I CA -0.357 61.029 61.300 0.143 0.000 1.235 524 I CB 1.156 39.216 38.000 0.101 0.000 1.386 524 I HN 0.937 nan 8.210 nan 0.000 0.494 525 Y N 4.079 124.417 120.300 0.063 0.000 2.298 525 Y HA -0.267 4.282 4.550 -0.002 0.000 0.287 525 Y C 1.586 177.368 175.900 -0.197 0.000 1.164 525 Y CA 1.797 59.885 58.100 -0.020 0.000 1.229 525 Y CB -0.886 37.547 38.460 -0.045 0.000 0.977 525 Y HN 0.736 nan 8.280 nan 0.000 0.538 526 N N -0.452 117.536 118.700 -1.188 0.000 2.467 526 N HA 0.178 4.917 4.740 -0.002 0.000 0.184 526 N C 1.489 176.539 175.510 -0.767 0.000 1.106 526 N CA 0.521 52.634 53.050 -1.562 0.000 0.892 526 N CB 0.175 37.114 38.487 -2.580 0.000 0.969 526 N HN 0.522 nan 8.380 nan 0.000 0.454 527 G N -0.532 108.034 108.800 -0.390 0.000 2.201 527 G HA2 -0.242 3.716 3.960 -0.002 0.000 0.212 527 G HA3 -0.242 3.716 3.960 -0.002 0.000 0.212 527 G C 0.034 174.831 174.900 -0.173 0.000 0.994 527 G CA 0.022 45.004 45.100 -0.195 0.000 0.644 527 G HN 0.346 nan 8.290 nan 0.000 0.508 528 T N 2.514 116.946 114.554 -0.203 0.000 2.871 528 T HA 0.381 4.729 4.350 -0.002 0.000 0.296 528 T C 0.936 175.609 174.700 -0.043 0.000 0.998 528 T CA 0.278 62.305 62.100 -0.122 0.000 1.162 528 T CB 0.573 69.391 68.868 -0.083 0.000 0.947 528 T HN 0.341 nan 8.240 nan 0.000 0.536 529 L N 4.459 125.645 121.223 -0.061 0.000 2.367 529 L HA 0.199 4.538 4.340 -0.002 0.000 0.275 529 L C 1.272 178.243 176.870 0.168 0.000 1.129 529 L CA -0.473 54.372 54.840 0.009 0.000 0.839 529 L CB 0.767 42.670 42.059 -0.259 0.000 1.133 529 L HN 0.520 nan 8.230 nan 0.000 0.453 530 V N 1.900 121.999 119.914 0.309 0.000 2.635 530 V HA 0.158 4.276 4.120 -0.002 0.000 0.233 530 V C 0.229 176.526 176.094 0.338 0.000 1.097 530 V CA 0.505 62.977 62.300 0.286 0.000 1.134 530 V CB 0.077 32.053 31.823 0.255 0.000 0.841 530 V HN 0.725 nan 8.190 nan 0.000 0.496 531 H N -0.182 118.989 119.070 0.168 0.000 3.079 531 H HA 0.288 4.843 4.556 -0.002 0.000 0.356 531 H C -1.188 173.706 175.328 -0.723 0.000 1.221 531 H CA -0.560 55.279 56.048 -0.350 0.000 1.185 531 H CB 2.165 31.506 29.762 -0.702 0.000 1.882 531 H HN 0.412 nan 8.280 nan 0.000 0.543 532 E N 2.506 121.847 120.200 -1.433 0.000 2.290 532 E HA 0.234 4.583 4.350 -0.002 0.000 0.277 532 E C 0.208 176.585 176.600 -0.372 0.000 1.035 532 E CA -0.196 55.403 56.400 -1.336 0.000 0.873 532 E CB 0.816 29.717 29.700 -1.331 0.000 1.029 532 E HN 0.416 nan 8.360 nan 0.000 0.419 533 V N 1.856 121.695 119.914 -0.124 0.000 3.604 533 V HA 0.417 4.536 4.120 -0.002 0.000 0.277 533 V C -0.121 176.111 176.094 0.230 0.000 1.399 533 V CA -0.394 61.970 62.300 0.107 0.000 1.034 533 V CB -0.519 31.438 31.823 0.223 0.000 0.824 533 V HN 0.692 nan 8.190 nan 0.000 0.439 534 W N 1.770 123.051 121.300 -0.030 0.000 3.275 534 W HA 0.639 5.298 4.660 -0.002 0.000 0.306 534 W C -1.809 174.722 176.519 0.019 0.000 1.259 534 W CA -0.563 56.793 57.345 0.019 0.000 1.194 534 W CB 1.404 30.906 29.460 0.071 0.000 1.375 534 W HN 0.205 nan 8.180 nan 0.000 0.564 535 K N 3.593 123.451 120.400 -0.903 0.000 2.587 535 K HA 0.721 5.040 4.320 -0.002 0.000 0.276 535 K C -2.139 173.739 176.600 -1.203 0.000 0.956 535 K CA -0.795 54.965 56.287 -0.877 0.000 0.857 535 K CB 2.492 34.783 32.500 -0.348 0.000 1.431 535 K HN 0.363 nan 8.250 nan 0.000 0.420 536 D N -0.089 119.804 120.400 -0.844 0.000 2.725 536 D HA 0.463 5.101 4.640 -0.002 0.000 0.292 536 D C -1.908 174.263 176.300 -0.214 0.000 1.288 536 D CA 0.031 53.741 54.000 -0.482 0.000 0.784 536 D CB 2.237 42.791 40.800 -0.409 0.000 1.308 536 D HN 0.796 nan 8.370 nan 0.000 0.429 537 S N -0.234 115.396 115.700 -0.118 0.000 2.550 537 S HA 0.966 5.434 4.470 -0.002 0.000 0.270 537 S C -1.462 173.071 174.600 -0.112 0.000 1.145 537 S CA -0.414 57.727 58.200 -0.098 0.000 0.852 537 S CB 1.675 64.834 63.200 -0.069 0.000 1.119 537 S HN 1.026 nan 8.310 nan 0.000 0.465 538 A N 1.060 123.791 122.820 -0.148 0.000 2.589 538 A HA 0.831 5.150 4.320 -0.002 0.000 0.296 538 A C -0.679 176.851 177.584 -0.089 0.000 1.062 538 A CA -0.737 51.214 52.037 -0.144 0.000 0.686 538 A CB 1.598 20.398 19.000 -0.333 0.000 1.282 538 A HN 0.865 nan 8.150 nan 0.000 0.404 539 T N 2.082 116.610 114.554 -0.043 0.000 2.829 539 T HA 0.737 5.086 4.350 -0.002 0.000 0.280 539 T C -0.279 174.416 174.700 -0.008 0.000 0.999 539 T CA -0.094 61.993 62.100 -0.021 0.000 0.983 539 T CB 0.910 69.773 68.868 -0.009 0.000 0.968 539 T HN 0.615 nan 8.240 nan 0.000 0.446 540 M N 1.319 120.918 119.600 -0.002 0.000 2.664 540 M HA 0.572 5.051 4.480 -0.002 0.000 0.279 540 M C -0.601 175.706 176.300 0.011 0.000 1.275 540 M CA -0.918 54.388 55.300 0.011 0.000 0.829 540 M CB 2.610 35.220 32.600 0.016 0.000 1.727 540 M HN 0.498 nan 8.290 nan 0.000 0.459 541 S N 1.665 117.374 115.700 0.015 0.000 2.659 541 S HA 0.733 5.201 4.470 -0.002 0.000 0.312 541 S C -1.534 173.075 174.600 0.015 0.000 1.114 541 S CA -0.660 57.548 58.200 0.013 0.000 1.063 541 S CB 0.469 63.676 63.200 0.012 0.000 0.996 541 S HN 0.588 nan 8.310 nan 0.000 0.478 542 L N 4.354 125.585 121.223 0.014 0.000 2.333 542 L HA 0.553 4.891 4.340 -0.002 0.000 0.280 542 L C -0.107 176.770 176.870 0.012 0.000 1.004 542 L CA -0.938 53.910 54.840 0.014 0.000 0.820 542 L CB 1.598 43.666 42.059 0.015 0.000 1.247 542 L HN 0.542 nan 8.230 nan 0.000 0.416 543 D N 3.529 123.936 120.400 0.011 0.000 2.354 543 D HA 0.230 4.868 4.640 -0.002 0.000 0.247 543 D C -2.316 173.990 176.300 0.009 0.000 1.138 543 D CA -1.196 52.810 54.000 0.009 0.000 0.958 543 D CB 1.036 41.841 40.800 0.009 0.000 1.144 543 D HN 0.171 nan 8.370 nan 0.000 0.458 544 P HA -0.066 nan 4.420 nan 0.000 0.260 544 P C 0.219 177.523 177.300 0.007 0.000 1.172 544 P CA 0.968 64.072 63.100 0.006 0.000 0.760 544 P CB 0.362 32.065 31.700 0.005 0.000 0.773 545 E N 0.070 120.275 120.200 0.007 0.000 3.799 545 E HA -0.279 4.069 4.350 -0.002 0.000 0.320 545 E C 0.159 176.765 176.600 0.009 0.000 0.760 545 E CA 1.344 57.748 56.400 0.007 0.000 1.153 545 E CB -1.563 28.140 29.700 0.006 0.000 1.589 545 E HN 0.673 nan 8.360 nan 0.000 0.448 546 E N 0.661 120.868 120.200 0.011 0.000 2.392 546 E HA 0.132 4.481 4.350 -0.002 0.000 0.264 546 E C -0.366 176.244 176.600 0.016 0.000 1.024 546 E CA 0.127 56.535 56.400 0.013 0.000 0.903 546 E CB 0.512 30.221 29.700 0.014 0.000 0.963 546 E HN 0.194 nan 8.360 nan 0.000 0.432 547 E N 0.996 121.207 120.200 0.018 0.000 2.221 547 E HA 0.673 5.021 4.350 -0.002 0.000 0.268 547 E C -1.274 175.342 176.600 0.028 0.000 0.933 547 E CA -1.030 55.383 56.400 0.022 0.000 0.809 547 E CB 2.013 31.725 29.700 0.020 0.000 1.190 547 E HN 0.525 nan 8.360 nan 0.000 0.406 548 A N 2.101 124.943 122.820 0.035 0.000 2.594 548 A HA 0.515 4.834 4.320 -0.002 0.000 0.295 548 A C -1.612 176.008 177.584 0.061 0.000 1.071 548 A CA -0.899 51.166 52.037 0.047 0.000 0.685 548 A CB 1.502 20.533 19.000 0.050 0.000 1.285 548 A HN 0.672 nan 8.150 nan 0.000 0.405 549 E N 0.832 121.076 120.200 0.073 0.000 2.275 549 E HA 0.495 4.843 4.350 -0.002 0.000 0.270 549 E C -1.451 175.226 176.600 0.128 0.000 0.882 549 E CA -0.746 55.706 56.400 0.087 0.000 0.758 549 E CB 1.886 31.617 29.700 0.052 0.000 1.195 549 E HN 0.682 nan 8.360 nan 0.000 0.419 550 H N 3.255 122.355 119.070 0.051 0.000 2.623 550 H HA 0.345 4.899 4.556 -0.002 0.000 0.299 550 H C -2.528 172.842 175.328 0.071 0.000 1.052 550 H CA -1.982 54.108 56.048 0.071 0.000 1.231 550 H CB 1.146 30.965 29.762 0.094 0.000 1.389 550 H HN 0.315 nan 8.280 nan 0.000 0.469 551 P HA 0.087 nan 4.420 nan 0.000 0.268 551 P C -0.533 176.628 177.300 -0.232 0.000 1.204 551 P CA 0.221 63.208 63.100 -0.189 0.000 0.768 551 P CB 0.774 32.388 31.700 -0.142 0.000 0.842 552 I N 3.193 123.663 120.570 -0.167 0.000 2.410 552 I HA 0.350 4.519 4.170 -0.002 0.000 0.286 552 I C 0.276 176.190 176.117 -0.339 0.000 1.009 552 I CA -0.608 60.513 61.300 -0.298 0.000 1.111 552 I CB 1.476 39.217 38.000 -0.432 0.000 1.262 552 I HN 0.162 nan 8.210 nan 0.000 0.443 553 K N 8.077 128.291 120.400 -0.309 0.000 2.376 553 K HA 0.682 5.000 4.320 -0.002 0.000 0.257 553 K C -1.534 174.929 176.600 -0.229 0.000 0.939 553 K CA -0.518 55.653 56.287 -0.193 0.000 0.809 553 K CB 1.729 34.203 32.500 -0.043 0.000 1.121 553 K HN 0.573 nan 8.250 nan 0.000 0.425 554 I N 3.527 124.008 120.570 -0.148 0.000 2.447 554 I HA 0.142 4.310 4.170 -0.002 0.000 0.287 554 I C 0.163 176.371 176.117 0.151 0.000 1.023 554 I CA -0.830 60.469 61.300 -0.002 0.000 1.083 554 I CB 2.020 40.022 38.000 0.003 0.000 1.245 554 I HN 0.657 nan 8.210 nan 0.000 0.434 555 S N 4.732 120.503 115.700 0.118 0.000 2.603 555 S HA 0.123 4.592 4.470 -0.002 0.000 0.268 555 S C 1.004 175.533 174.600 -0.119 0.000 1.317 555 S CA -0.257 57.984 58.200 0.068 0.000 1.012 555 S CB 0.921 64.147 63.200 0.043 0.000 0.926 555 S HN 0.657 nan 8.310 nan 0.000 0.539 556 Y N 2.371 122.478 120.300 -0.322 0.000 2.165 556 Y HA -0.139 4.410 4.550 -0.002 0.000 0.286 556 Y C 2.441 177.945 175.900 -0.660 0.000 1.155 556 Y CA 2.033 59.653 58.100 -0.799 0.000 1.164 556 Y CB -1.125 37.133 38.460 -0.337 0.000 0.978 556 Y HN 0.848 nan 8.280 nan 0.000 0.513 557 A N 0.243 122.848 122.820 -0.359 0.000 1.908 557 A HA -0.283 4.036 4.320 -0.002 0.000 0.218 557 A C 2.142 179.534 177.584 -0.319 0.000 1.181 557 A CA 2.120 53.962 52.037 -0.324 0.000 0.627 557 A CB -0.770 18.167 19.000 -0.104 0.000 0.818 557 A HN 0.704 nan 8.150 nan 0.000 0.445 558 Q N -1.735 117.940 119.800 -0.208 0.000 2.046 558 Q HA -0.176 4.163 4.340 -0.002 0.000 0.200 558 Q C 2.074 178.066 176.000 -0.015 0.000 0.975 558 Q CA 1.916 57.689 55.803 -0.050 0.000 0.836 558 Q CB -0.349 28.445 28.738 0.094 0.000 0.896 558 Q HN 1.030 nan 8.270 nan 0.000 0.428 559 Y N 0.598 120.878 120.300 -0.034 0.000 2.397 559 Y HA 0.072 4.620 4.550 -0.002 0.000 0.292 559 Y C 1.867 177.696 175.900 -0.118 0.000 1.115 559 Y CA 0.790 58.884 58.100 -0.010 0.000 1.208 559 Y CB -0.684 37.797 38.460 0.035 0.000 1.046 559 Y HN 0.090 nan 8.280 nan 0.000 0.552 560 E N 1.661 121.530 120.200 -0.551 0.000 2.130 560 E HA -0.289 4.059 4.350 -0.002 0.000 0.196 560 E C 2.191 178.588 176.600 -0.338 0.000 0.998 560 E CA 1.968 58.054 56.400 -0.522 0.000 0.806 560 E CB -0.522 28.332 29.700 -1.411 0.000 0.738 560 E HN 0.525 nan 8.360 nan 0.000 0.459 561 R N -1.031 119.217 120.500 -0.421 0.000 2.152 561 R HA -0.095 4.243 4.340 -0.002 0.000 0.232 561 R C 0.793 176.659 176.300 -0.723 0.000 1.117 561 R CA 1.433 57.177 56.100 -0.593 0.000 0.981 561 R CB -0.056 29.781 30.300 -0.771 0.000 0.870 561 R HN 0.408 nan 8.270 nan 0.000 0.451 562 Y N -1.076 119.169 120.300 -0.092 0.000 2.588 562 Y HA 0.196 4.745 4.550 -0.002 0.000 0.247 562 Y C -0.276 175.657 175.900 0.056 0.000 1.157 562 Y CA -0.850 57.225 58.100 -0.041 0.000 1.215 562 Y CB 0.696 39.110 38.460 -0.077 0.000 1.245 562 Y HN -0.036 nan 8.280 nan 0.000 0.534 563 L N 2.184 123.510 121.223 0.170 0.000 2.360 563 L HA 0.278 4.616 4.340 -0.002 0.000 0.276 563 L C -0.171 176.789 176.870 0.149 0.000 1.121 563 L CA -0.081 54.872 54.840 0.188 0.000 0.845 563 L CB 0.259 42.459 42.059 0.235 0.000 1.143 563 L HN -0.104 nan 8.230 nan 0.000 0.452 564 K N 1.879 122.382 120.400 0.172 0.000 2.419 564 K HA 0.334 4.653 4.320 -0.002 0.000 0.246 564 K C 1.308 178.025 176.600 0.194 0.000 1.037 564 K CA 0.272 56.665 56.287 0.177 0.000 0.982 564 K CB 1.034 33.657 32.500 0.205 0.000 1.283 564 K HN 0.687 nan 8.250 nan 0.000 0.500 565 S N -0.153 115.680 115.700 0.221 0.000 2.465 565 S HA -0.154 4.315 4.470 -0.002 0.000 0.241 565 S C 0.944 175.669 174.600 0.208 0.000 1.000 565 S CA 1.347 59.671 58.200 0.207 0.000 0.964 565 S CB -0.236 63.087 63.200 0.205 0.000 0.763 565 S HN 0.439 nan 8.310 nan 0.000 0.512 566 D N 1.991 122.537 120.400 0.244 0.000 2.178 566 D HA -0.081 4.558 4.640 -0.002 0.000 0.201 566 D C 0.129 176.547 176.300 0.197 0.000 0.980 566 D CA 0.872 55.022 54.000 0.250 0.000 0.842 566 D CB -0.366 40.618 40.800 0.307 0.000 0.948 566 D HN 0.359 nan 8.370 nan 0.000 0.472 567 N N -0.116 118.690 118.700 0.178 0.000 2.747 567 N HA -0.144 4.595 4.740 -0.002 0.000 0.249 567 N C -0.501 175.076 175.510 0.111 0.000 1.107 567 N CA 0.682 53.814 53.050 0.137 0.000 0.707 567 N CB -1.011 37.555 38.487 0.133 0.000 1.054 567 N HN 0.298 nan 8.380 nan 0.000 0.555 568 M N 0.413 120.099 119.600 0.143 0.000 2.423 568 M HA 0.543 5.021 4.480 -0.002 0.000 0.335 568 M C 0.416 176.791 176.300 0.125 0.000 1.177 568 M CA -0.328 55.057 55.300 0.141 0.000 1.038 568 M CB 1.542 34.255 32.600 0.188 0.000 1.641 568 M HN -0.011 nan 8.290 nan 0.000 0.455 569 I N 1.390 122.027 120.570 0.112 0.000 2.571 569 I HA 0.393 4.562 4.170 -0.002 0.000 0.289 569 I C -0.408 175.801 176.117 0.154 0.000 1.115 569 I CA -0.673 60.705 61.300 0.130 0.000 1.045 569 I CB 2.767 40.802 38.000 0.057 0.000 1.238 569 I HN 0.644 nan 8.210 nan 0.000 0.424 570 R N 6.752 127.380 120.500 0.213 0.000 2.207 570 R HA 0.565 4.904 4.340 -0.002 0.000 0.334 570 R C -1.151 175.299 176.300 0.251 0.000 1.013 570 R CA -0.501 55.726 56.100 0.213 0.000 0.858 570 R CB 0.721 31.143 30.300 0.204 0.000 1.094 570 R HN 0.448 nan 8.270 nan 0.000 0.457 571 I N 4.060 124.748 120.570 0.197 0.000 2.359 571 I HA 0.335 4.504 4.170 -0.002 0.000 0.294 571 I C -0.104 176.130 176.117 0.195 0.000 0.987 571 I CA -0.415 61.006 61.300 0.201 0.000 1.225 571 I CB 1.536 39.605 38.000 0.114 0.000 1.366 571 I HN 0.651 nan 8.210 nan 0.000 0.466 572 T N 4.684 119.379 114.554 0.234 0.000 2.909 572 T HA 0.776 5.125 4.350 -0.002 0.000 0.299 572 T C -0.587 174.193 174.700 0.133 0.000 1.073 572 T CA -0.657 61.528 62.100 0.142 0.000 0.999 572 T CB 2.367 71.337 68.868 0.170 0.000 1.098 572 T HN 0.708 nan 8.240 nan 0.000 0.477 573 A N 2.141 124.982 122.820 0.034 0.000 2.411 573 A HA 0.682 5.001 4.320 -0.002 0.000 0.285 573 A C -0.850 176.720 177.584 -0.023 0.000 1.129 573 A CA -0.575 51.491 52.037 0.048 0.000 0.736 573 A CB 0.957 20.002 19.000 0.075 0.000 1.186 573 A HN 0.657 nan 8.150 nan 0.000 0.445 574 V N 2.421 122.329 119.914 -0.010 0.000 2.333 574 V HA 0.294 4.412 4.120 -0.002 0.000 0.274 574 V C -0.132 175.967 176.094 0.008 0.000 1.028 574 V CA -0.386 61.901 62.300 -0.022 0.000 0.851 574 V CB 0.440 32.263 31.823 0.001 0.000 1.000 574 V HN 0.959 nan 8.190 nan 0.000 0.456 575 C N 5.049 124.352 119.300 0.006 0.000 2.376 575 C HA 0.805 5.264 4.460 -0.002 0.000 0.335 575 C C 0.064 175.071 174.990 0.027 0.000 1.229 575 C CA -1.077 57.949 59.018 0.014 0.000 1.867 575 C CB 0.961 28.707 27.740 0.009 0.000 2.319 575 C HN 0.937 nan 8.230 nan 0.000 0.515 576 K N 1.496 121.913 120.400 0.028 0.000 2.523 576 K HA 0.726 5.044 4.320 -0.002 0.000 0.257 576 K C -1.850 174.764 176.600 0.023 0.000 0.932 576 K CA -0.358 55.951 56.287 0.036 0.000 0.812 576 K CB 1.780 34.314 32.500 0.057 0.000 1.326 576 K HN 0.521 nan 8.250 nan 0.000 0.433 577 V N 4.167 124.094 119.914 0.021 0.000 2.581 577 V HA 0.451 4.570 4.120 -0.002 0.000 0.303 577 V C -2.316 173.784 176.094 0.009 0.000 1.041 577 V CA -2.309 59.998 62.300 0.012 0.000 0.907 577 V CB 1.775 33.604 31.823 0.010 0.000 0.994 577 V HN 0.780 nan 8.190 nan 0.000 0.442 578 P HA 0.191 nan 4.420 nan 0.000 0.265 578 P C -0.300 176.997 177.300 -0.006 0.000 1.193 578 P CA 0.505 63.604 63.100 -0.003 0.000 0.765 578 P CB 0.209 31.907 31.700 -0.004 0.000 0.823 579 D N -0.437 119.955 120.400 -0.013 0.000 3.077 579 D HA -0.160 4.479 4.640 -0.002 0.000 0.212 579 D C -0.279 176.014 176.300 -0.011 0.000 1.125 579 D CA 1.315 55.305 54.000 -0.016 0.000 0.970 579 D CB -1.388 39.404 40.800 -0.013 0.000 1.110 579 D HN 0.556 nan 8.370 nan 0.000 0.419 580 E N -0.676 119.522 120.200 -0.004 0.000 2.367 580 E HA 0.529 4.877 4.350 -0.002 0.000 0.273 580 E C -0.607 176.006 176.600 0.021 0.000 0.903 580 E CA -0.714 55.689 56.400 0.006 0.000 0.764 580 E CB 1.733 31.439 29.700 0.010 0.000 1.252 580 E HN -0.127 nan 8.360 nan 0.000 0.446 581 S N 1.503 117.224 115.700 0.034 0.000 2.584 581 S HA 0.061 4.530 4.470 -0.002 0.000 0.270 581 S C -0.121 174.531 174.600 0.088 0.000 1.346 581 S CA -0.363 57.884 58.200 0.078 0.000 1.018 581 S CB 0.416 63.670 63.200 0.090 0.000 0.899 581 S HN 0.332 nan 8.310 nan 0.000 0.542 582 E N 0.571 120.857 120.200 0.143 0.000 2.422 582 E HA 0.211 4.560 4.350 -0.002 0.000 0.260 582 E C -0.796 175.836 176.600 0.052 0.000 1.108 582 E CA 0.075 56.539 56.400 0.106 0.000 0.943 582 E CB 0.360 30.148 29.700 0.147 0.000 0.961 582 E HN 0.224 nan 8.360 nan 0.000 0.443 583 V N 2.556 122.483 119.914 0.022 0.000 2.407 583 V HA 0.222 4.341 4.120 -0.002 0.000 0.291 583 V C -0.640 175.432 176.094 -0.036 0.000 1.018 583 V CA -0.836 61.461 62.300 -0.004 0.000 0.842 583 V CB 1.603 33.427 31.823 0.001 0.000 0.996 583 V HN 0.375 nan 8.190 nan 0.000 0.426 584 V N 6.054 125.924 119.914 -0.074 0.000 2.432 584 V HA 0.426 4.545 4.120 -0.002 0.000 0.275 584 V C -0.037 175.985 176.094 -0.121 0.000 1.043 584 V CA -0.431 61.776 62.300 -0.154 0.000 0.925 584 V CB 1.696 33.362 31.823 -0.261 0.000 0.985 584 V HN 0.598 nan 8.190 nan 0.000 0.466 585 V N 5.945 125.793 119.914 -0.109 0.000 2.378 585 V HA 0.508 4.626 4.120 -0.002 0.000 0.288 585 V C -0.106 175.955 176.094 -0.055 0.000 1.016 585 V CA -0.583 61.687 62.300 -0.050 0.000 0.840 585 V CB 1.449 33.269 31.823 -0.005 0.000 0.994 585 V HN 1.042 nan 8.190 nan 0.000 0.431 586 E N 4.788 124.973 120.200 -0.025 0.000 2.312 586 E HA 0.881 5.229 4.350 -0.002 0.000 0.267 586 E C -0.815 175.822 176.600 0.063 0.000 0.894 586 E CA -1.322 55.090 56.400 0.019 0.000 0.773 586 E CB 3.135 32.853 29.700 0.031 0.000 1.241 586 E HN 0.538 nan 8.360 nan 0.000 0.432 587 R N 1.450 122.005 120.500 0.091 0.000 2.647 587 R HA 0.186 4.524 4.340 -0.002 0.000 0.260 587 R C -1.972 174.394 176.300 0.110 0.000 1.154 587 R CA -0.493 55.663 56.100 0.092 0.000 1.029 587 R CB 1.399 31.740 30.300 0.070 0.000 1.262 587 R HN 0.543 nan 8.270 nan 0.000 0.437 588 D N 5.226 125.697 120.400 0.119 0.000 2.198 588 D HA 0.374 5.013 4.640 -0.002 0.000 0.245 588 D C 0.095 176.461 176.300 0.110 0.000 1.079 588 D CA -0.136 53.942 54.000 0.130 0.000 0.854 588 D CB 1.382 42.276 40.800 0.156 0.000 1.148 588 D HN 0.484 nan 8.370 nan 0.000 0.456 589 I N -1.020 119.605 120.570 0.091 0.000 2.693 589 I HA 0.619 4.787 4.170 -0.002 0.000 0.303 589 I C -0.635 175.523 176.117 0.069 0.000 1.025 589 I CA -1.107 60.231 61.300 0.064 0.000 1.086 589 I CB 2.402 40.417 38.000 0.024 0.000 1.268 589 I HN 0.203 nan 8.210 nan 0.000 0.440 590 I N 4.575 125.181 120.570 0.061 0.000 2.466 590 I HA 0.428 4.596 4.170 -0.002 0.000 0.289 590 I C -1.508 174.631 176.117 0.036 0.000 1.026 590 I CA -0.859 60.482 61.300 0.068 0.000 1.078 590 I CB 1.695 39.756 38.000 0.101 0.000 1.249 590 I HN 0.501 nan 8.210 nan 0.000 0.429 591 L N 7.142 128.380 121.223 0.026 0.000 2.292 591 L HA 0.398 4.736 4.340 -0.002 0.000 0.284 591 L C -0.128 176.781 176.870 0.065 0.000 1.065 591 L CA -0.178 54.676 54.840 0.022 0.000 0.806 591 L CB 0.728 42.775 42.059 -0.021 0.000 1.175 591 L HN 0.486 nan 8.230 nan 0.000 0.431 592 D N 2.067 122.504 120.400 0.061 0.000 2.372 592 D HA 0.082 4.721 4.640 -0.002 0.000 0.243 592 D C 0.108 176.468 176.300 0.100 0.000 1.121 592 D CA -0.040 53.998 54.000 0.063 0.000 0.898 592 D CB 0.680 41.502 40.800 0.037 0.000 1.202 592 D HN 0.374 nan 8.370 nan 0.000 0.428 593 N N 1.203 119.962 118.700 0.097 0.000 2.424 593 N HA 0.247 4.986 4.740 -0.002 0.000 0.257 593 N C -2.268 173.271 175.510 0.049 0.000 1.250 593 N CA -0.948 52.175 53.050 0.123 0.000 0.946 593 N CB 0.208 38.761 38.487 0.110 0.000 1.175 593 N HN 0.066 nan 8.380 nan 0.000 0.477 594 P HA 0.108 nan 4.420 nan 0.000 0.272 594 P C -0.478 176.835 177.300 0.022 0.000 1.230 594 P CA 0.071 63.125 63.100 -0.077 0.000 0.788 594 P CB 0.346 31.886 31.700 -0.266 0.000 0.949 595 T N 2.187 116.733 114.554 -0.014 0.000 2.901 595 T HA 0.272 4.621 4.350 -0.002 0.000 0.301 595 T C -0.109 174.645 174.700 0.090 0.000 1.012 595 T CA 0.183 62.290 62.100 0.012 0.000 1.135 595 T CB -0.007 68.840 68.868 -0.035 0.000 0.936 595 T HN 0.171 nan 8.240 nan 0.000 0.539 596 L N 3.694 124.954 121.223 0.062 0.000 2.333 596 L HA 0.577 4.916 4.340 -0.002 0.000 0.280 596 L C -0.400 176.474 176.870 0.006 0.000 1.004 596 L CA -0.041 54.827 54.840 0.047 0.000 0.820 596 L CB 1.702 43.759 42.059 -0.003 0.000 1.247 596 L HN 0.636 nan 8.230 nan 0.000 0.416 597 T N 5.736 120.286 114.554 -0.006 0.000 2.863 597 T HA 0.650 4.999 4.350 -0.002 0.000 0.285 597 T C -0.523 174.175 174.700 -0.004 0.000 1.009 597 T CA -0.460 61.632 62.100 -0.013 0.000 0.989 597 T CB 1.432 70.283 68.868 -0.028 0.000 1.004 597 T HN 0.456 nan 8.240 nan 0.000 0.455 598 L N 2.439 123.662 121.223 -0.000 0.000 2.346 598 L HA 0.633 4.972 4.340 -0.002 0.000 0.274 598 L C -0.108 176.748 176.870 -0.023 0.000 1.007 598 L CA -0.725 54.121 54.840 0.010 0.000 0.818 598 L CB 1.832 43.914 42.059 0.040 0.000 1.284 598 L HN 0.633 nan 8.230 nan 0.000 0.424 599 E N 1.927 122.095 120.200 -0.054 0.000 2.290 599 E HA 0.395 4.744 4.350 -0.002 0.000 0.274 599 E C -1.465 175.074 176.600 -0.103 0.000 0.889 599 E CA -0.681 55.678 56.400 -0.068 0.000 0.760 599 E CB 3.168 32.829 29.700 -0.065 0.000 1.206 599 E HN 0.153 nan 8.360 nan 0.000 0.419 600 V N 4.134 123.998 119.914 -0.083 0.000 2.509 600 V HA 0.172 4.290 4.120 -0.002 0.000 0.284 600 V C 0.679 176.723 176.094 -0.082 0.000 1.047 600 V CA -0.223 62.022 62.300 -0.093 0.000 0.952 600 V CB 1.033 32.818 31.823 -0.063 0.000 0.988 600 V HN 0.680 nan 8.190 nan 0.000 0.469 601 L N 5.186 126.353 121.223 -0.093 0.000 2.818 601 L HA 0.376 4.715 4.340 -0.002 0.000 0.243 601 L C 0.435 177.271 176.870 -0.056 0.000 1.185 601 L CA 0.026 54.822 54.840 -0.074 0.000 0.988 601 L CB -0.435 41.575 42.059 -0.083 0.000 1.292 601 L HN 0.890 nan 8.230 nan 0.000 0.519 602 N N -1.151 117.519 118.700 -0.051 0.000 3.227 602 N HA 0.043 4.781 4.740 -0.002 0.000 0.241 602 N C -1.190 174.301 175.510 -0.032 0.000 1.480 602 N CA -0.742 52.285 53.050 -0.038 0.000 0.886 602 N CB 1.363 39.828 38.487 -0.037 0.000 1.406 602 N HN -0.047 nan 8.380 nan 0.000 0.514 603 E N 0.212 120.398 120.200 -0.024 0.000 2.299 603 E HA 0.431 4.779 4.350 -0.002 0.000 0.272 603 E C -0.415 176.175 176.600 -0.017 0.000 1.043 603 E CA -0.489 55.900 56.400 -0.019 0.000 0.895 603 E CB 0.486 30.177 29.700 -0.014 0.000 1.011 603 E HN 0.600 nan 8.360 nan 0.000 0.432 604 A N 5.836 128.647 122.820 -0.015 0.000 2.404 604 A HA 0.337 4.655 4.320 -0.002 0.000 0.273 604 A C -0.314 177.267 177.584 -0.005 0.000 1.144 604 A CA -0.171 51.860 52.037 -0.011 0.000 0.806 604 A CB 0.379 19.373 19.000 -0.009 0.000 1.080 604 A HN 0.712 nan 8.150 nan 0.000 0.509 605 R N 1.336 121.835 120.500 -0.003 0.000 2.744 605 R HA 0.505 4.844 4.340 -0.002 0.000 0.279 605 R C -0.459 175.843 176.300 0.004 0.000 0.977 605 R CA -0.943 55.157 56.100 0.000 0.000 0.906 605 R CB 1.976 32.276 30.300 -0.001 0.000 1.197 605 R HN 0.702 nan 8.270 nan 0.000 0.463 606 V N 0.352 120.270 119.914 0.006 0.000 2.788 606 V HA 0.050 4.169 4.120 -0.002 0.000 0.307 606 V C 0.813 176.912 176.094 0.009 0.000 1.069 606 V CA -0.129 62.176 62.300 0.008 0.000 1.173 606 V CB 0.278 32.105 31.823 0.008 0.000 0.925 606 V HN 0.882 nan 8.190 nan 0.000 0.492 607 R N -0.326 120.182 120.500 0.012 0.000 4.000 607 R HA -0.142 4.197 4.340 -0.002 0.000 0.348 607 R C -0.215 176.091 176.300 0.011 0.000 1.204 607 R CA 1.458 57.566 56.100 0.013 0.000 0.987 607 R CB -0.978 29.329 30.300 0.012 0.000 1.446 607 R HN 0.842 nan 8.270 nan 0.000 0.555 608 K N 0.306 120.712 120.400 0.009 0.000 2.324 608 K HA 0.395 4.714 4.320 -0.002 0.000 0.253 608 K C -2.593 174.011 176.600 0.006 0.000 0.932 608 K CA -2.455 53.836 56.287 0.006 0.000 0.799 608 K CB 1.697 34.198 32.500 0.002 0.000 1.154 608 K HN -0.251 nan 8.250 nan 0.000 0.425 609 P HA 0.023 nan 4.420 nan 0.000 0.264 609 P C -0.615 176.681 177.300 -0.007 0.000 1.193 609 P CA -0.135 62.968 63.100 0.005 0.000 0.763 609 P CB 0.462 32.165 31.700 0.004 0.000 0.810 610 V N 4.861 124.769 119.914 -0.010 0.000 2.357 610 V HA 0.207 4.326 4.120 -0.002 0.000 0.284 610 V C 0.177 176.230 176.094 -0.069 0.000 1.018 610 V CA -0.589 61.692 62.300 -0.032 0.000 0.841 610 V CB 1.043 32.852 31.823 -0.023 0.000 0.991 610 V HN 0.470 nan 8.190 nan 0.000 0.437 611 N N 3.633 122.280 118.700 -0.088 0.000 2.442 611 N HA 0.462 5.200 4.740 -0.002 0.000 0.265 611 N C -0.596 174.780 175.510 -0.223 0.000 1.138 611 N CA -0.220 52.747 53.050 -0.138 0.000 0.956 611 N CB 1.384 39.810 38.487 -0.101 0.000 1.067 611 N HN 0.456 nan 8.380 nan 0.000 0.474 612 V N 1.402 121.066 119.914 -0.416 0.000 2.919 612 V HA 0.496 4.615 4.120 -0.002 0.000 0.316 612 V C -0.266 175.436 176.094 -0.653 0.000 1.077 612 V CA -0.824 61.121 62.300 -0.592 0.000 0.977 612 V CB 1.972 33.235 31.823 -0.934 0.000 1.039 612 V HN 0.639 nan 8.190 nan 0.000 0.441 613 Q N 2.290 121.829 119.800 -0.435 0.000 2.289 613 Q HA 0.568 4.907 4.340 -0.002 0.000 0.270 613 Q C -1.500 174.449 176.000 -0.085 0.000 1.038 613 Q CA -0.513 55.147 55.803 -0.238 0.000 0.812 613 Q CB 2.235 30.887 28.738 -0.144 0.000 1.300 613 Q HN 0.824 nan 8.270 nan 0.000 0.427 614 M N 5.830 125.452 119.600 0.037 0.000 2.268 614 M HA 0.514 4.993 4.480 -0.002 0.000 0.344 614 M C -2.025 174.280 176.300 0.009 0.000 1.106 614 M CA -0.621 54.726 55.300 0.078 0.000 1.010 614 M CB 0.796 33.502 32.600 0.176 0.000 1.649 614 M HN 0.714 nan 8.290 nan 0.000 0.443 615 L N 5.625 126.835 121.223 -0.021 0.000 2.410 615 L HA 0.652 4.991 4.340 -0.002 0.000 0.270 615 L C -1.463 175.387 176.870 -0.033 0.000 0.983 615 L CA -0.705 54.111 54.840 -0.040 0.000 0.822 615 L CB 2.202 44.232 42.059 -0.049 0.000 1.285 615 L HN 0.710 nan 8.230 nan 0.000 0.409 616 F N 1.399 121.191 119.950 -0.264 0.000 2.588 616 F HA 0.554 5.080 4.527 -0.002 0.000 0.318 616 F C -0.861 174.798 175.800 -0.234 0.000 1.155 616 F CA -0.311 57.485 58.000 -0.340 0.000 0.967 616 F CB 2.141 40.732 39.000 -0.682 0.000 1.236 616 F HN 0.327 nan 8.300 nan 0.000 0.455 617 S N 4.334 119.443 115.700 -0.985 0.000 2.437 617 S HA 0.273 4.742 4.470 -0.002 0.000 0.305 617 S C -0.794 173.132 174.600 -1.123 0.000 1.109 617 S CA -0.678 57.061 58.200 -0.769 0.000 1.099 617 S CB 1.004 63.946 63.200 -0.430 0.000 1.004 617 S HN 0.622 nan 8.310 nan 0.000 0.475 618 N N 4.285 122.583 118.700 -0.669 0.000 2.402 618 N HA 0.223 4.962 4.740 -0.002 0.000 0.252 618 N C -1.337 174.061 175.510 -0.187 0.000 1.118 618 N CA -2.041 50.800 53.050 -0.349 0.000 0.945 618 N CB 0.880 39.377 38.487 0.017 0.000 1.147 618 N HN 0.244 nan 8.380 nan 0.000 0.495 619 P HA -0.046 nan 4.420 nan 0.000 0.233 619 P C 0.160 177.439 177.300 -0.034 0.000 1.167 619 P CA 0.551 63.597 63.100 -0.090 0.000 0.770 619 P CB 0.475 32.124 31.700 -0.085 0.000 0.837 620 L N 0.387 121.633 121.223 0.038 0.000 2.466 620 L HA 0.164 4.503 4.340 -0.002 0.000 0.257 620 L C 1.536 178.391 176.870 -0.024 0.000 1.189 620 L CA -0.236 54.589 54.840 -0.024 0.000 0.813 620 L CB 0.108 42.189 42.059 0.036 0.000 1.118 620 L HN -0.243 nan 8.230 nan 0.000 0.471 621 D N -0.119 120.254 120.400 -0.044 0.000 2.355 621 D HA -0.013 4.626 4.640 -0.002 0.000 0.218 621 D C 0.430 176.735 176.300 0.008 0.000 1.004 621 D CA 0.479 54.468 54.000 -0.018 0.000 0.880 621 D CB 0.383 41.172 40.800 -0.018 0.000 0.911 621 D HN 0.623 nan 8.370 nan 0.000 0.528 622 E N 0.468 120.682 120.200 0.024 0.000 2.281 622 E HA 0.552 4.901 4.350 -0.002 0.000 0.262 622 E C -2.965 173.674 176.600 0.066 0.000 0.933 622 E CA -2.302 54.122 56.400 0.040 0.000 0.809 622 E CB 2.064 31.789 29.700 0.043 0.000 1.242 622 E HN -0.268 nan 8.360 nan 0.000 0.418 623 P HA 0.109 nan 4.420 nan 0.000 0.276 623 P C -0.796 176.575 177.300 0.118 0.000 1.244 623 P CA -0.575 62.580 63.100 0.091 0.000 0.801 623 P CB 0.920 32.660 31.700 0.067 0.000 1.006 624 V N -0.318 119.701 119.914 0.174 0.000 2.513 624 V HA 0.674 4.792 4.120 -0.002 0.000 0.299 624 V C -0.111 176.066 176.094 0.138 0.000 1.035 624 V CA -0.727 61.690 62.300 0.195 0.000 0.889 624 V CB 1.567 33.615 31.823 0.376 0.000 0.988 624 V HN 0.411 nan 8.190 nan 0.000 0.440 625 R N 1.461 122.004 120.500 0.072 0.000 2.960 625 R HA 0.570 4.909 4.340 -0.002 0.000 0.249 625 R C -0.712 175.580 176.300 -0.013 0.000 1.192 625 R CA -0.706 55.414 56.100 0.035 0.000 1.035 625 R CB 0.711 31.023 30.300 0.019 0.000 1.234 625 R HN 0.825 nan 8.270 nan 0.000 0.493 626 D N -0.074 120.311 120.400 -0.025 0.000 2.708 626 D HA -0.156 4.483 4.640 -0.002 0.000 0.236 626 D C -0.670 175.556 176.300 -0.124 0.000 1.146 626 D CA 0.597 54.560 54.000 -0.061 0.000 0.662 626 D CB -1.729 39.033 40.800 -0.064 0.000 1.059 626 D HN 0.396 nan 8.370 nan 0.000 0.428 627 C N 0.533 119.764 119.300 -0.114 0.000 2.576 627 C HA 0.447 4.906 4.460 -0.002 0.000 0.401 627 C C 1.039 175.898 174.990 -0.219 0.000 1.314 627 C CA -0.696 58.171 59.018 -0.251 0.000 1.855 627 C CB 0.547 28.270 27.740 -0.029 0.000 2.537 627 C HN 0.187 nan 8.230 nan 0.000 0.578 628 V N 5.353 125.044 119.914 -0.371 0.000 2.686 628 V HA 0.468 4.587 4.120 -0.002 0.000 0.306 628 V C -0.389 175.587 176.094 -0.197 0.000 1.065 628 V CA -0.485 61.684 62.300 -0.217 0.000 0.894 628 V CB 1.816 33.520 31.823 -0.197 0.000 1.004 628 V HN 0.781 nan 8.190 nan 0.000 0.424 629 L N 5.515 126.705 121.223 -0.054 0.000 2.313 629 L HA 0.644 4.982 4.340 -0.002 0.000 0.283 629 L C -1.068 175.745 176.870 -0.096 0.000 1.013 629 L CA -0.426 54.417 54.840 0.005 0.000 0.816 629 L CB 1.595 43.695 42.059 0.068 0.000 1.236 629 L HN 0.571 nan 8.230 nan 0.000 0.419 630 M N 5.793 125.329 119.600 -0.105 0.000 2.181 630 M HA 0.464 4.943 4.480 -0.002 0.000 0.323 630 M C -0.840 175.375 176.300 -0.142 0.000 1.004 630 M CA -0.567 54.651 55.300 -0.136 0.000 0.941 630 M CB 1.668 34.184 32.600 -0.140 0.000 1.579 630 M HN 0.201 nan 8.290 nan 0.000 0.427 631 V N 3.272 123.074 119.914 -0.185 0.000 2.735 631 V HA 0.706 4.825 4.120 -0.002 0.000 0.310 631 V C -0.380 175.632 176.094 -0.137 0.000 1.061 631 V CA -0.629 61.561 62.300 -0.183 0.000 0.913 631 V CB 2.542 34.156 31.823 -0.349 0.000 1.005 631 V HN 0.944 nan 8.190 nan 0.000 0.428 632 E N 2.272 122.415 120.200 -0.095 0.000 2.439 632 E HA 0.804 5.153 4.350 -0.002 0.000 0.279 632 E C -0.624 175.942 176.600 -0.056 0.000 1.077 632 E CA -0.907 55.448 56.400 -0.075 0.000 0.849 632 E CB 2.335 31.978 29.700 -0.095 0.000 1.408 632 E HN 1.184 nan 8.360 nan 0.000 0.457 633 G N 0.704 109.479 108.800 -0.042 0.000 1.875 633 G HA2 0.240 4.198 3.960 -0.002 0.000 0.218 633 G HA3 0.240 4.198 3.960 -0.002 0.000 0.218 633 G C -0.894 174.008 174.900 0.004 0.000 1.648 633 G CA -0.571 44.513 45.100 -0.027 0.000 0.941 633 G HN 0.415 nan 8.290 nan 0.000 0.689 634 S N 0.349 116.058 115.700 0.015 0.000 2.546 634 S HA 0.419 4.887 4.470 -0.002 0.000 0.290 634 S C 1.703 176.339 174.600 0.061 0.000 1.290 634 S CA 1.731 59.964 58.200 0.056 0.000 1.069 634 S CB 1.081 64.340 63.200 0.098 0.000 0.846 634 S HN 2.404 nan 8.310 nan 0.000 0.495 635 G N 2.018 110.854 108.800 0.061 0.000 2.253 635 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.251 635 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.251 635 G C 0.582 175.505 174.900 0.038 0.000 0.998 635 G CA 0.436 45.565 45.100 0.048 0.000 0.621 635 G HN 0.574 nan 8.290 nan 0.000 0.524 636 L N -0.577 120.669 121.223 0.039 0.000 2.262 636 L HA 0.442 4.781 4.340 -0.002 0.000 0.197 636 L C 0.905 177.802 176.870 0.046 0.000 1.073 636 L CA 0.912 55.776 54.840 0.041 0.000 0.800 636 L CB -0.146 41.940 42.059 0.044 0.000 0.987 636 L HN 0.373 nan 8.230 nan 0.000 0.470 637 L N -2.132 119.115 121.223 0.041 0.000 2.469 637 L HA 0.484 4.822 4.340 -0.002 0.000 0.256 637 L C -0.816 176.071 176.870 0.028 0.000 1.006 637 L CA -1.181 53.682 54.840 0.038 0.000 0.832 637 L CB 0.765 42.848 42.059 0.040 0.000 1.421 637 L HN -0.153 nan 8.230 nan 0.000 0.410 638 L N 2.247 123.486 121.223 0.027 0.000 2.278 638 L HA 0.654 4.992 4.340 -0.002 0.000 0.287 638 L C 1.249 178.127 176.870 0.014 0.000 1.072 638 L CA 0.531 55.387 54.840 0.026 0.000 0.819 638 L CB 0.252 42.328 42.059 0.029 0.000 1.176 638 L HN 1.144 nan 8.230 nan 0.000 0.435 639 G N 3.995 112.803 108.800 0.013 0.000 2.569 639 G HA2 -0.345 3.614 3.960 -0.002 0.000 0.259 639 G HA3 -0.345 3.614 3.960 -0.002 0.000 0.259 639 G C -0.437 174.451 174.900 -0.019 0.000 1.263 639 G CA 0.037 45.139 45.100 0.002 0.000 0.928 639 G HN 0.787 nan 8.290 nan 0.000 0.572 640 N N -0.552 118.132 118.700 -0.027 0.000 2.400 640 N HA 0.591 5.330 4.740 -0.002 0.000 0.288 640 N C -0.328 175.138 175.510 -0.073 0.000 1.024 640 N CA -0.697 52.320 53.050 -0.054 0.000 0.894 640 N CB 1.230 39.690 38.487 -0.045 0.000 1.173 640 N HN 0.703 nan 8.380 nan 0.000 0.487 641 L N 3.213 124.366 121.223 -0.116 0.000 2.264 641 L HA 0.406 4.744 4.340 -0.002 0.000 0.289 641 L C -0.469 176.300 176.870 -0.169 0.000 1.044 641 L CA -0.650 54.099 54.840 -0.152 0.000 0.807 641 L CB 0.600 42.515 42.059 -0.240 0.000 1.192 641 L HN 0.624 nan 8.230 nan 0.000 0.425 642 K N 6.540 126.864 120.400 -0.127 0.000 2.307 642 K HA 0.574 4.892 4.320 -0.002 0.000 0.263 642 K C -1.416 175.124 176.600 -0.101 0.000 0.973 642 K CA -0.523 55.696 56.287 -0.115 0.000 0.846 642 K CB 1.215 33.662 32.500 -0.088 0.000 1.100 642 K HN 0.592 nan 8.250 nan 0.000 0.438 643 I N 3.410 123.921 120.570 -0.099 0.000 2.466 643 I HA 0.182 4.351 4.170 -0.002 0.000 0.289 643 I C -0.685 175.415 176.117 -0.027 0.000 1.026 643 I CA -0.995 60.271 61.300 -0.057 0.000 1.078 643 I CB 1.964 39.930 38.000 -0.057 0.000 1.249 643 I HN 0.536 nan 8.210 nan 0.000 0.429 644 D N 5.884 126.275 120.400 -0.014 0.000 2.308 644 D HA 0.294 4.933 4.640 -0.002 0.000 0.251 644 D C -0.446 175.873 176.300 0.031 0.000 1.127 644 D CA 0.046 54.042 54.000 -0.007 0.000 0.876 644 D CB 2.287 43.080 40.800 -0.012 0.000 1.176 644 D HN 0.039 nan 8.370 nan 0.000 0.446 645 V N 5.185 125.132 119.914 0.055 0.000 2.459 645 V HA 0.303 4.422 4.120 -0.002 0.000 0.295 645 V C -1.789 174.361 176.094 0.093 0.000 1.029 645 V CA -1.486 60.880 62.300 0.110 0.000 0.874 645 V CB 1.766 33.729 31.823 0.233 0.000 0.985 645 V HN 0.461 nan 8.190 nan 0.000 0.438 646 P HA 0.083 nan 4.420 nan 0.000 0.271 646 P C 0.031 177.388 177.300 0.095 0.000 1.233 646 P CA -0.144 62.999 63.100 0.072 0.000 0.789 646 P CB 0.298 32.034 31.700 0.060 0.000 0.951 647 T N 1.443 116.043 114.554 0.076 0.000 2.933 647 T HA 0.062 4.411 4.350 -0.002 0.000 0.306 647 T C 0.233 174.998 174.700 0.109 0.000 1.045 647 T CA 0.480 62.634 62.100 0.090 0.000 1.143 647 T CB -0.280 68.626 68.868 0.063 0.000 1.003 647 T HN 0.251 nan 8.240 nan 0.000 0.540 648 L N 4.131 125.443 121.223 0.148 0.000 2.298 648 L HA 0.639 4.978 4.340 -0.002 0.000 0.284 648 L C 0.618 177.560 176.870 0.120 0.000 1.013 648 L CA -0.124 54.804 54.840 0.148 0.000 0.824 648 L CB 0.816 43.015 42.059 0.233 0.000 1.221 648 L HN 0.721 nan 8.230 nan 0.000 0.418 649 G N 4.702 113.547 108.800 0.075 0.000 2.684 649 G HA2 0.331 4.290 3.960 -0.002 0.000 0.255 649 G HA3 0.331 4.290 3.960 -0.002 0.000 0.255 649 G C -2.636 172.293 174.900 0.048 0.000 1.219 649 G CA -1.078 44.055 45.100 0.055 0.000 0.901 649 G HN 0.545 nan 8.290 nan 0.000 0.548 650 P HA 0.203 nan 4.420 nan 0.000 0.268 650 P C -0.008 177.287 177.300 -0.009 0.000 1.204 650 P CA 0.135 63.247 63.100 0.019 0.000 0.768 650 P CB 0.610 32.317 31.700 0.012 0.000 0.842 651 K N -0.785 119.596 120.400 -0.032 0.000 3.349 651 K HA -0.197 4.121 4.320 -0.002 0.000 0.310 651 K C 0.340 176.898 176.600 -0.070 0.000 1.267 651 K CA 1.295 57.544 56.287 -0.063 0.000 0.920 651 K CB -1.375 31.096 32.500 -0.048 0.000 1.240 651 K HN 0.535 nan 8.250 nan 0.000 0.453 652 E N 0.303 120.471 120.200 -0.053 0.000 2.312 652 E HA 0.327 4.676 4.350 -0.002 0.000 0.259 652 E C -0.114 176.432 176.600 -0.091 0.000 1.122 652 E CA -0.598 55.773 56.400 -0.047 0.000 0.922 652 E CB 0.967 30.665 29.700 -0.004 0.000 1.109 652 E HN 0.185 nan 8.360 nan 0.000 0.442 653 R N 0.026 120.483 120.500 -0.073 0.000 2.621 653 R HA 0.290 4.629 4.340 -0.002 0.000 0.292 653 R C -0.933 175.346 176.300 -0.035 0.000 0.969 653 R CA -0.364 55.675 56.100 -0.100 0.000 0.887 653 R CB 1.742 31.978 30.300 -0.107 0.000 1.180 653 R HN 0.411 nan 8.270 nan 0.000 0.450 654 S N 2.852 118.542 115.700 -0.017 0.000 2.442 654 S HA 0.400 4.869 4.470 -0.002 0.000 0.297 654 S C -0.662 173.939 174.600 0.001 0.000 1.131 654 S CA -0.650 57.567 58.200 0.027 0.000 1.092 654 S CB 0.613 63.858 63.200 0.075 0.000 0.998 654 S HN 0.511 nan 8.310 nan 0.000 0.478 655 R N 4.382 124.890 120.500 0.013 0.000 2.371 655 R HA 0.482 4.821 4.340 -0.002 0.000 0.312 655 R C -1.701 174.619 176.300 0.034 0.000 0.980 655 R CA -0.377 55.728 56.100 0.007 0.000 0.867 655 R CB 1.400 31.697 30.300 -0.005 0.000 1.163 655 R HN 0.518 nan 8.270 nan 0.000 0.492 656 V N 4.861 124.809 119.914 0.056 0.000 2.448 656 V HA 0.495 4.613 4.120 -0.002 0.000 0.295 656 V C 0.195 176.364 176.094 0.124 0.000 1.025 656 V CA -0.791 61.573 62.300 0.107 0.000 0.859 656 V CB 2.067 33.983 31.823 0.154 0.000 0.988 656 V HN 0.567 nan 8.190 nan 0.000 0.431 657 R N 3.821 124.380 120.500 0.099 0.000 2.532 657 R HA 0.807 5.146 4.340 -0.002 0.000 0.295 657 R C -1.342 175.044 176.300 0.144 0.000 0.968 657 R CA -0.443 55.670 56.100 0.022 0.000 0.916 657 R CB 2.014 32.297 30.300 -0.028 0.000 1.124 657 R HN 0.727 nan 8.270 nan 0.000 0.463 658 F N -0.959 118.990 119.950 -0.002 0.000 2.665 658 F HA 0.455 4.981 4.527 -0.001 0.000 0.308 658 F C -1.539 174.260 175.800 -0.002 0.000 1.112 658 F CA -1.332 56.667 58.000 -0.001 0.000 0.972 658 F CB 1.289 40.289 39.000 0.001 0.000 1.295 658 F HN 0.233 nan 8.300 nan 0.000 0.440 659 D N 2.878 123.374 120.400 0.159 0.000 2.228 659 D HA 0.690 5.329 4.640 -0.002 0.000 0.247 659 D C -0.309 176.096 176.300 0.175 0.000 0.995 659 D CA -0.127 53.913 54.000 0.068 0.000 0.903 659 D CB 2.359 43.182 40.800 0.039 0.000 1.205 659 D HN 0.825 nan 8.370 nan 0.000 0.459 660 I N -1.973 118.662 120.570 0.109 0.000 2.828 660 I HA 0.581 4.750 4.170 -0.002 0.000 0.302 660 I C -1.391 174.763 176.117 0.061 0.000 1.101 660 I CA -1.229 60.142 61.300 0.118 0.000 1.031 660 I CB 2.193 40.280 38.000 0.145 0.000 1.231 660 I HN 0.055 nan 8.210 nan 0.000 0.427 661 L N 5.924 127.180 121.223 0.054 0.000 2.384 661 L HA 0.652 4.991 4.340 -0.002 0.000 0.261 661 L C -2.571 174.319 176.870 0.034 0.000 1.024 661 L CA -1.921 52.940 54.840 0.036 0.000 0.899 661 L CB 0.639 42.718 42.059 0.033 0.000 1.243 661 L HN 0.402 nan 8.230 nan 0.000 0.449 662 P HA 0.101 nan 4.420 nan 0.000 0.262 662 P C 0.237 177.552 177.300 0.024 0.000 1.182 662 P CA 0.353 63.469 63.100 0.026 0.000 0.761 662 P CB 0.684 32.396 31.700 0.020 0.000 0.795 663 S N 2.937 118.652 115.700 0.026 0.000 2.502 663 S HA 0.135 4.604 4.470 -0.002 0.000 0.215 663 S C 0.693 175.303 174.600 0.016 0.000 1.009 663 S CA -0.115 58.099 58.200 0.023 0.000 0.908 663 S CB 0.286 63.504 63.200 0.030 0.000 0.801 663 S HN 0.400 nan 8.310 nan 0.000 0.505 664 R N 1.450 121.959 120.500 0.015 0.000 2.725 664 R HA 0.535 4.874 4.340 -0.002 0.000 0.277 664 R C -0.901 175.403 176.300 0.006 0.000 0.987 664 R CA -0.251 55.852 56.100 0.005 0.000 0.901 664 R CB 1.923 32.222 30.300 -0.001 0.000 1.207 664 R HN 0.334 nan 8.270 nan 0.000 0.463 665 S N 1.152 116.853 115.700 0.001 0.000 2.672 665 S HA 0.898 5.367 4.470 -0.002 0.000 0.276 665 S C 0.329 174.931 174.600 0.004 0.000 1.207 665 S CA 0.168 58.370 58.200 0.004 0.000 1.002 665 S CB 1.701 64.903 63.200 0.003 0.000 0.998 665 S HN 1.120 nan 8.310 nan 0.000 0.542 666 G N 0.044 108.848 108.800 0.007 0.000 2.384 666 G HA2 0.088 4.047 3.960 -0.002 0.000 0.668 666 G HA3 0.088 4.047 3.960 -0.002 0.000 0.668 666 G C -0.669 174.238 174.900 0.012 0.000 1.280 666 G CA -0.589 44.516 45.100 0.009 0.000 0.992 666 G HN 0.986 nan 8.290 nan 0.000 0.512 667 T N 2.784 117.346 114.554 0.014 0.000 2.727 667 T HA 0.502 4.850 4.350 -0.002 0.000 0.295 667 T C 0.383 175.095 174.700 0.019 0.000 0.915 667 T CA -0.088 62.020 62.100 0.014 0.000 1.066 667 T CB 0.585 69.460 68.868 0.012 0.000 0.891 667 T HN 0.537 nan 8.240 nan 0.000 0.516 668 K N 2.639 123.049 120.400 0.017 0.000 2.211 668 K HA 0.442 4.760 4.320 -0.002 0.000 0.237 668 K C -0.139 176.468 176.600 0.012 0.000 1.002 668 K CA -0.870 55.430 56.287 0.021 0.000 0.885 668 K CB 1.341 33.855 32.500 0.023 0.000 1.136 668 K HN 0.523 nan 8.250 nan 0.000 0.448 669 Q N 1.495 121.300 119.800 0.008 0.000 2.327 669 Q HA 0.336 4.674 4.340 -0.002 0.000 0.270 669 Q C -1.498 174.494 176.000 -0.013 0.000 1.022 669 Q CA -0.814 54.984 55.803 -0.008 0.000 0.773 669 Q CB 1.216 29.940 28.738 -0.023 0.000 1.251 669 Q HN 0.398 nan 8.270 nan 0.000 0.457 670 L N 5.336 126.557 121.223 -0.002 0.000 2.289 670 L HA 0.532 4.871 4.340 -0.002 0.000 0.285 670 L C -1.629 175.237 176.870 -0.007 0.000 1.049 670 L CA -0.107 54.739 54.840 0.010 0.000 0.804 670 L CB 1.018 43.106 42.059 0.049 0.000 1.195 670 L HN 0.670 nan 8.230 nan 0.000 0.428 671 L N 4.953 126.159 121.223 -0.028 0.000 2.354 671 L HA 0.951 5.290 4.340 -0.002 0.000 0.269 671 L C -0.513 176.333 176.870 -0.040 0.000 1.005 671 L CA -0.778 54.034 54.840 -0.048 0.000 0.819 671 L CB 1.887 43.888 42.059 -0.098 0.000 1.311 671 L HN 0.760 nan 8.230 nan 0.000 0.423 672 A N 1.162 123.963 122.820 -0.030 0.000 2.486 672 A HA 0.628 4.947 4.320 -0.002 0.000 0.300 672 A C -1.841 175.732 177.584 -0.018 0.000 1.048 672 A CA -0.464 51.558 52.037 -0.025 0.000 0.696 672 A CB 1.965 20.974 19.000 0.015 0.000 1.278 672 A HN 0.735 nan 8.150 nan 0.000 0.405 673 D N 0.387 120.772 120.400 -0.026 0.000 2.502 673 D HA 0.597 5.236 4.640 -0.002 0.000 0.249 673 D C -1.533 174.778 176.300 0.018 0.000 1.092 673 D CA -0.094 53.894 54.000 -0.021 0.000 0.839 673 D CB 0.976 41.732 40.800 -0.072 0.000 1.264 673 D HN 0.330 nan 8.370 nan 0.000 0.511 674 F N 3.212 123.076 119.950 -0.144 0.000 2.460 674 F HA 0.569 5.094 4.527 -0.002 0.000 0.341 674 F C -1.185 174.507 175.800 -0.180 0.000 1.130 674 F CA -0.451 57.433 58.000 -0.193 0.000 0.962 674 F CB 1.451 40.270 39.000 -0.302 0.000 1.171 674 F HN 0.219 nan 8.300 nan 0.000 0.436 675 S N 5.109 120.392 115.700 -0.695 0.000 2.513 675 S HA 0.792 5.261 4.470 -0.002 0.000 0.299 675 S C -0.935 173.275 174.600 -0.650 0.000 1.087 675 S CA -0.540 57.356 58.200 -0.507 0.000 1.012 675 S CB 1.131 64.162 63.200 -0.281 0.000 1.044 675 S HN 0.892 nan 8.310 nan 0.000 0.485 676 C N 1.942 121.014 119.300 -0.380 0.000 3.332 676 C HA 0.589 5.048 4.460 -0.002 0.000 0.329 676 C C 1.533 176.467 174.990 -0.093 0.000 1.434 676 C CA -0.898 57.974 59.018 -0.243 0.000 1.314 676 C CB 0.668 28.302 27.740 -0.176 0.000 1.664 676 C HN 0.864 nan 8.230 nan 0.000 0.457 677 N N 1.564 120.230 118.700 -0.057 0.000 2.104 677 N HA -0.184 4.554 4.740 -0.002 0.000 0.190 677 N C 1.002 176.464 175.510 -0.078 0.000 1.024 677 N CA 1.763 54.781 53.050 -0.053 0.000 0.853 677 N CB -0.379 38.084 38.487 -0.040 0.000 1.008 677 N HN 0.768 nan 8.380 nan 0.000 0.424 678 K N -0.720 119.614 120.400 -0.110 0.000 2.379 678 K HA 0.140 4.459 4.320 -0.002 0.000 0.194 678 K C -0.264 175.981 176.600 -0.591 0.000 1.031 678 K CA 0.092 56.182 56.287 -0.329 0.000 1.037 678 K CB 0.340 32.596 32.500 -0.407 0.000 0.824 678 K HN 0.243 nan 8.250 nan 0.000 0.516 679 F N 2.664 122.659 119.950 0.074 0.000 2.809 679 F HA 0.245 4.771 4.527 -0.002 0.000 0.369 679 F C -2.404 173.387 175.800 -0.015 0.000 1.225 679 F CA -2.145 55.899 58.000 0.074 0.000 1.201 679 F CB 1.742 40.817 39.000 0.125 0.000 1.527 679 F HN -0.180 nan 8.300 nan 0.000 0.565 680 P HA 0.226 nan 4.420 nan 0.000 0.279 680 P C 0.064 177.405 177.300 0.068 0.000 1.239 680 P CA 0.123 63.253 63.100 0.051 0.000 0.789 680 P CB 1.737 33.474 31.700 0.061 0.000 0.933 681 A N 3.083 125.902 122.820 -0.002 0.000 2.519 681 A HA -0.182 4.136 4.320 -0.002 0.000 0.297 681 A C 0.313 177.921 177.584 0.040 0.000 1.472 681 A CA 0.333 52.373 52.037 0.005 0.000 0.739 681 A CB -2.518 16.498 19.000 0.027 0.000 1.096 681 A HN 0.473 nan 8.150 nan 0.000 0.414 682 I N 1.216 121.814 120.570 0.046 0.000 2.474 682 I HA 0.251 4.420 4.170 -0.002 0.000 0.287 682 I C 0.618 176.756 176.117 0.035 0.000 1.048 682 I CA -0.245 61.089 61.300 0.056 0.000 1.383 682 I CB 0.904 38.931 38.000 0.045 0.000 1.412 682 I HN 0.296 nan 8.210 nan 0.000 0.531 683 K N 5.123 125.534 120.400 0.017 0.000 2.221 683 K HA 0.888 5.207 4.320 -0.002 0.000 0.243 683 K C -0.882 175.715 176.600 -0.005 0.000 0.968 683 K CA -0.778 55.509 56.287 -0.000 0.000 0.846 683 K CB 2.288 34.777 32.500 -0.020 0.000 1.141 683 K HN 0.678 nan 8.250 nan 0.000 0.434 684 A N 1.643 124.457 122.820 -0.010 0.000 2.572 684 A HA 0.787 5.106 4.320 -0.002 0.000 0.295 684 A C -1.369 176.204 177.584 -0.018 0.000 1.072 684 A CA -0.762 51.269 52.037 -0.010 0.000 0.691 684 A CB 1.905 20.907 19.000 0.004 0.000 1.291 684 A HN 0.729 nan 8.150 nan 0.000 0.404 685 M N 2.038 121.625 119.600 -0.021 0.000 2.421 685 M HA 0.738 5.216 4.480 -0.002 0.000 0.287 685 M C -2.591 173.698 176.300 -0.018 0.000 1.183 685 M CA -0.854 54.430 55.300 -0.027 0.000 0.916 685 M CB 1.922 34.495 32.600 -0.046 0.000 1.701 685 M HN 0.866 nan 8.290 nan 0.000 0.470 686 L N 3.247 124.463 121.223 -0.011 0.000 2.476 686 L HA 0.509 4.848 4.340 -0.002 0.000 0.269 686 L C -1.191 175.674 176.870 -0.008 0.000 0.965 686 L CA 0.146 54.981 54.840 -0.008 0.000 0.845 686 L CB 2.223 44.282 42.059 0.000 0.000 1.259 686 L HN 0.775 nan 8.230 nan 0.000 0.403 687 S N 5.399 121.093 115.700 -0.011 0.000 2.528 687 S HA 0.683 5.152 4.470 -0.002 0.000 0.277 687 S C -0.344 174.253 174.600 -0.005 0.000 1.297 687 S CA -0.284 57.912 58.200 -0.007 0.000 1.052 687 S CB 0.022 63.217 63.200 -0.008 0.000 0.917 687 S HN 0.506 nan 8.310 nan 0.000 0.492 688 I N 4.039 124.608 120.570 -0.001 0.000 2.447 688 I HA 0.292 4.461 4.170 -0.002 0.000 0.287 688 I C -0.878 175.240 176.117 0.002 0.000 1.023 688 I CA -0.795 60.504 61.300 -0.001 0.000 1.083 688 I CB 1.972 39.974 38.000 0.002 0.000 1.245 688 I HN 0.486 nan 8.210 nan 0.000 0.434 689 D N 6.720 127.119 120.400 -0.001 0.000 2.339 689 D HA 0.204 4.843 4.640 -0.002 0.000 0.241 689 D C -0.264 176.036 176.300 0.001 0.000 1.183 689 D CA -0.048 53.953 54.000 0.001 0.000 0.859 689 D CB 2.037 42.837 40.800 -0.001 0.000 1.067 689 D HN 0.050 nan 8.370 nan 0.000 0.484 690 V N 2.419 122.335 119.914 0.004 0.000 2.385 690 V HA 0.438 4.557 4.120 -0.002 0.000 0.269 690 V C 0.820 176.916 176.094 0.003 0.000 1.043 690 V CA -0.740 61.562 62.300 0.004 0.000 0.906 690 V CB 1.001 32.829 31.823 0.008 0.000 0.995 690 V HN 0.590 nan 8.190 nan 0.000 0.467 691 A N 4.157 126.978 122.820 0.002 0.000 2.272 691 A HA 0.637 4.955 4.320 -0.002 0.000 0.275 691 A C 0.193 177.779 177.584 0.003 0.000 1.096 691 A CA -0.303 51.734 52.037 0.002 0.000 0.822 691 A CB 0.554 19.554 19.000 -0.000 0.000 1.088 691 A HN 0.788 nan 8.150 nan 0.000 0.495 692 E N 0.000 120.202 120.200 0.003 0.000 2.725 692 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 692 E CA 0.000 56.402 56.400 0.004 0.000 0.976 692 E CB 0.000 29.702 29.700 0.004 0.000 0.812 692 E HN 0.000 nan 8.360 nan 0.000 0.440