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 3bmv_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASDTAVSNVV NYSTDVIYQI VTDRFVDGNT SNNPTGDLYD PTHTSLKKYF DATA SEQUENCE GGDWQGIINK INDGYLTGMG VTAIWIPQPV ENIYAVLPDS TFGGSTSYHG DATA SEQUENCE YWARDFKRTN PYFGSFTDFQ NLINTAHAHN IKVIIDFAPN HTSPASETDP DATA SEQUENCE TYAENGRLYD NGTLLGGYTN DTNGYFHHYG GTDFSSYEDG IYRNLFDLAD DATA SEQUENCE LNQQNSTIDS YLKSAIKVWL DMGIDGIRLD AVKHMPFGWQ KNFMDSILSY DATA SEQUENCE RPVFTFGEWF LGTNEIDVNN TYFANESGMS LLDFRFSQKV RQVFRDNTDT DATA SEQUENCE MYGLDSMIQS TASDYNFIND MVTFIDNHDM DRFYNGGSTR PVEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYMTGNG DPYNRAMMTS FNTSTTAYNV IKKLAPLRKS DATA SEQUENCE NPAIAYGTTQ QRWINNDVYI YERKFGNNVA LVAINRNLST SYNITGLYTA DATA SEQUENCE LPAGTYTDVL GGLLNGNSIS VASDGSVTPF TLSAGEVAVW QYVSSSNSPL DATA SEQUENCE IGHVGPTMTK AGQTITIDGR GFGTTSGQVL FGSTAGTIVS WDDTEVKVKV DATA SEQUENCE PSVTPGKYNI SLKTSSGATS NTYNNINILT GNQICVRFVV NNASTVYGEN DATA SEQUENCE VYLTGNVAEL GNWDTSKAIG PMFNQVVYQY PTWYYDVSVP AGTTIQFKFI DATA SEQUENCE KKNGNTITWE GGSNHTYTVP SSSTGTVIVN WQQ 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 0.000 177.560 177.584 -0.039 0.000 1.274 1 A CA 0.000 52.015 52.037 -0.036 0.000 0.836 1 A CB 0.000 18.970 19.000 -0.050 0.000 0.831 2 S N 0.932 116.602 115.700 -0.049 0.000 2.655 2 S HA 0.420 4.883 4.470 -0.011 0.000 0.265 2 S C 0.937 175.498 174.600 -0.065 0.000 1.240 2 S CA 0.274 58.441 58.200 -0.054 0.000 0.986 2 S CB 0.686 63.851 63.200 -0.059 0.000 0.985 2 S HN 1.027 nan 8.310 nan 0.000 0.562 3 D N 0.453 120.818 120.400 -0.058 0.000 2.221 3 D HA -0.176 4.458 4.640 -0.011 0.000 0.204 3 D C 1.552 177.796 176.300 -0.092 0.000 0.982 3 D CA 1.801 55.770 54.000 -0.052 0.000 0.857 3 D CB -1.176 39.628 40.800 0.006 0.000 0.934 3 D HN 0.704 nan 8.370 nan 0.000 0.475 4 T N -2.793 111.699 114.554 -0.104 0.000 3.100 4 T HA 0.451 4.795 4.350 -0.011 0.000 0.253 4 T C 1.062 175.672 174.700 -0.149 0.000 1.118 4 T CA -0.005 62.011 62.100 -0.140 0.000 1.058 4 T CB -0.109 68.682 68.868 -0.129 0.000 0.953 4 T HN 0.345 nan 8.240 nan 0.000 0.515 5 A N 1.177 123.918 122.820 -0.131 0.000 2.445 5 A HA 0.498 4.811 4.320 -0.011 0.000 0.242 5 A C 1.665 179.148 177.584 -0.168 0.000 1.075 5 A CA -0.301 51.658 52.037 -0.130 0.000 0.777 5 A CB 0.295 19.231 19.000 -0.107 0.000 1.013 5 A HN 0.225 nan 8.150 nan 0.000 0.493 6 V N 2.390 122.204 119.914 -0.167 0.000 2.568 6 V HA -0.187 3.926 4.120 -0.011 0.000 0.253 6 V C 2.325 178.270 176.094 -0.247 0.000 1.072 6 V CA 2.936 65.113 62.300 -0.204 0.000 1.084 6 V CB -0.576 31.148 31.823 -0.166 0.000 0.676 6 V HN 1.147 nan 8.190 nan 0.000 0.469 7 S N -0.107 115.467 115.700 -0.210 0.000 2.562 7 S HA 0.009 4.473 4.470 -0.011 0.000 0.221 7 S C 1.094 175.609 174.600 -0.141 0.000 0.975 7 S CA 0.457 58.541 58.200 -0.193 0.000 0.918 7 S CB -0.620 62.491 63.200 -0.149 0.000 0.772 7 S HN 0.627 nan 8.310 nan 0.000 0.531 8 N N 2.591 121.201 118.700 -0.149 0.000 2.605 8 N HA 0.141 4.874 4.740 -0.011 0.000 0.258 8 N C 0.552 175.982 175.510 -0.134 0.000 1.156 8 N CA -0.099 52.877 53.050 -0.123 0.000 1.008 8 N CB 0.933 39.342 38.487 -0.130 0.000 1.354 8 N HN 0.294 nan 8.380 nan 0.000 0.509 9 V N 1.401 121.289 119.914 -0.043 0.000 3.596 9 V HA 0.096 4.209 4.120 -0.011 0.000 0.289 9 V C 1.148 177.386 176.094 0.238 0.000 1.336 9 V CA 0.536 62.879 62.300 0.071 0.000 1.137 9 V CB -0.406 31.488 31.823 0.117 0.000 0.966 9 V HN 0.355 nan 8.190 nan 0.000 0.428 10 V N -2.356 117.647 119.914 0.147 0.000 3.621 10 V HA 0.495 4.608 4.120 -0.011 0.000 0.285 10 V C 0.452 176.678 176.094 0.221 0.000 1.346 10 V CA 0.467 62.907 62.300 0.234 0.000 1.104 10 V CB -0.604 31.310 31.823 0.153 0.000 0.913 10 V HN 0.559 nan 8.190 nan 0.000 0.432 11 N N -0.130 118.561 118.700 -0.014 0.000 2.480 11 N HA 0.357 5.090 4.740 -0.011 0.000 0.289 11 N C -0.970 174.294 175.510 -0.410 0.000 1.073 11 N CA -0.511 52.306 53.050 -0.389 0.000 0.885 11 N CB 1.632 39.863 38.487 -0.426 0.000 1.421 11 N HN 0.155 nan 8.380 nan 0.000 0.503 12 Y N 1.227 121.044 120.300 -0.804 0.000 2.531 12 Y HA 0.279 4.822 4.550 -0.011 0.000 0.249 12 Y C 1.776 177.357 175.900 -0.532 0.000 1.168 12 Y CA -0.028 57.652 58.100 -0.700 0.000 1.226 12 Y CB 0.581 38.428 38.460 -1.022 0.000 1.177 12 Y HN 0.502 nan 8.280 nan 0.000 0.527 13 S N -0.764 114.711 115.700 -0.375 0.000 2.447 13 S HA -0.152 4.311 4.470 -0.011 0.000 0.233 13 S C 2.057 176.437 174.600 -0.367 0.000 1.006 13 S CA 1.787 59.805 58.200 -0.304 0.000 0.957 13 S CB -0.377 62.708 63.200 -0.191 0.000 0.773 13 S HN 0.640 nan 8.310 nan 0.000 0.507 14 T N -0.622 113.702 114.554 -0.382 0.000 3.107 14 T HA 0.146 4.490 4.350 -0.011 0.000 0.249 14 T C 0.078 174.610 174.700 -0.280 0.000 1.096 14 T CA -0.236 61.645 62.100 -0.366 0.000 1.012 14 T CB 0.002 68.663 68.868 -0.345 0.000 0.977 14 T HN 0.055 nan 8.240 nan 0.000 0.527 15 D N 0.754 120.998 120.400 -0.261 0.000 2.326 15 D HA 0.536 5.170 4.640 -0.011 0.000 0.251 15 D C -0.885 175.340 176.300 -0.124 0.000 1.023 15 D CA -0.467 53.414 54.000 -0.198 0.000 0.966 15 D CB 2.531 43.190 40.800 -0.234 0.000 1.156 15 D HN 0.027 nan 8.370 nan 0.000 0.494 16 V N 1.909 121.781 119.914 -0.071 0.000 2.443 16 V HA 0.328 4.442 4.120 -0.011 0.000 0.293 16 V C 0.159 176.292 176.094 0.066 0.000 1.021 16 V CA -0.672 61.617 62.300 -0.018 0.000 0.848 16 V CB 1.531 33.330 31.823 -0.040 0.000 0.998 16 V HN 0.360 nan 8.190 nan 0.000 0.424 17 I N 4.590 125.238 120.570 0.129 0.000 2.428 17 I HA 0.328 4.491 4.170 -0.011 0.000 0.289 17 I C -0.831 175.460 176.117 0.291 0.000 1.019 17 I CA -0.466 60.977 61.300 0.239 0.000 1.351 17 I CB 0.908 39.084 38.000 0.293 0.000 1.412 17 I HN 0.594 nan 8.210 nan 0.000 0.513 18 Y N 5.975 126.365 120.300 0.150 0.000 2.345 18 Y HA 0.248 4.792 4.550 -0.011 0.000 0.331 18 Y C -0.077 175.883 175.900 0.099 0.000 0.959 18 Y CA -0.561 57.603 58.100 0.105 0.000 1.204 18 Y CB 1.015 39.504 38.460 0.048 0.000 1.135 18 Y HN 0.493 nan 8.280 nan 0.000 0.477 19 Q N 7.153 126.839 119.800 -0.190 0.000 2.314 19 Q HA 0.417 4.750 4.340 -0.011 0.000 0.257 19 Q C -1.276 174.467 176.000 -0.427 0.000 0.975 19 Q CA -0.226 55.383 55.803 -0.323 0.000 0.933 19 Q CB 0.493 28.918 28.738 -0.522 0.000 1.195 19 Q HN 0.778 nan 8.270 nan 0.000 0.426 20 I N 3.962 124.286 120.570 -0.410 0.000 2.377 20 I HA 0.231 4.395 4.170 -0.011 0.000 0.293 20 I C -0.440 175.397 176.117 -0.467 0.000 0.987 20 I CA -1.009 59.977 61.300 -0.524 0.000 1.185 20 I CB 1.982 39.648 38.000 -0.556 0.000 1.341 20 I HN 0.340 nan 8.210 nan 0.000 0.455 21 V N 6.267 125.822 119.914 -0.598 0.000 2.339 21 V HA 0.032 4.146 4.120 -0.011 0.000 0.261 21 V C 1.171 177.028 176.094 -0.394 0.000 1.058 21 V CA 0.055 62.115 62.300 -0.400 0.000 0.897 21 V CB 0.499 32.182 31.823 -0.232 0.000 1.052 21 V HN 0.910 nan 8.190 nan 0.000 0.480 22 T N 2.955 117.288 114.554 -0.368 0.000 2.624 22 T HA -0.270 4.074 4.350 -0.011 0.000 0.268 22 T C 1.693 176.245 174.700 -0.247 0.000 1.041 22 T CA 2.471 64.335 62.100 -0.392 0.000 1.159 22 T CB -0.195 68.171 68.868 -0.836 0.000 0.863 22 T HN 0.834 nan 8.240 nan 0.000 0.434 23 D N 0.247 120.544 120.400 -0.172 0.000 2.263 23 D HA -0.087 4.546 4.640 -0.011 0.000 0.208 23 D C 1.802 178.097 176.300 -0.009 0.000 0.971 23 D CA 0.723 54.753 54.000 0.051 0.000 0.867 23 D CB 0.173 41.066 40.800 0.155 0.000 0.929 23 D HN 0.092 nan 8.370 nan 0.000 0.492 24 R N -0.772 119.672 120.500 -0.093 0.000 2.509 24 R HA 0.140 4.474 4.340 -0.011 0.000 0.300 24 R C 0.469 176.726 176.300 -0.070 0.000 0.985 24 R CA -0.198 55.850 56.100 -0.086 0.000 1.092 24 R CB -0.259 29.979 30.300 -0.104 0.000 1.237 24 R HN 0.256 nan 8.270 nan 0.000 0.546 25 F N 0.171 119.984 119.950 -0.228 0.000 2.414 25 F HA 0.275 4.795 4.527 -0.011 0.000 0.255 25 F C 0.222 176.051 175.800 0.047 0.000 1.032 25 F CA 0.208 58.127 58.000 -0.135 0.000 1.049 25 F CB 0.516 39.424 39.000 -0.153 0.000 1.140 25 F HN -0.356 nan 8.300 nan 0.000 0.643 26 V N 1.348 121.298 119.914 0.060 0.000 2.668 26 V HA 0.219 4.332 4.120 -0.011 0.000 0.304 26 V C -1.488 174.651 176.094 0.075 0.000 1.071 26 V CA -1.039 61.258 62.300 -0.005 0.000 0.894 26 V CB 1.415 33.179 31.823 -0.098 0.000 1.008 26 V HN 0.213 nan 8.190 nan 0.000 0.425 27 D N 3.600 124.049 120.400 0.082 0.000 2.470 27 D HA 0.242 4.875 4.640 -0.011 0.000 0.226 27 D C 1.245 177.594 176.300 0.082 0.000 1.196 27 D CA 0.526 54.590 54.000 0.108 0.000 0.979 27 D CB 1.207 42.105 40.800 0.163 0.000 1.059 27 D HN 0.676 nan 8.370 nan 0.000 0.515 28 G N 3.308 112.155 108.800 0.077 0.000 2.623 28 G HA2 -0.133 3.820 3.960 -0.011 0.000 0.214 28 G HA3 -0.133 3.820 3.960 -0.011 0.000 0.214 28 G C 0.735 175.670 174.900 0.059 0.000 1.138 28 G CA -0.200 44.937 45.100 0.062 0.000 0.794 28 G HN 0.502 nan 8.290 nan 0.000 0.535 29 N N -0.027 118.711 118.700 0.062 0.000 2.533 29 N HA 0.061 4.794 4.740 -0.011 0.000 0.289 29 N C 1.146 176.674 175.510 0.030 0.000 1.103 29 N CA 0.308 53.386 53.050 0.047 0.000 0.877 29 N CB 1.541 40.060 38.487 0.053 0.000 1.419 29 N HN -0.003 nan 8.380 nan 0.000 0.517 30 T N -0.714 113.851 114.554 0.020 0.000 2.995 30 T HA -0.123 4.220 4.350 -0.011 0.000 0.269 30 T C 1.867 176.538 174.700 -0.049 0.000 1.091 30 T CA 1.481 63.575 62.100 -0.010 0.000 1.128 30 T CB -0.176 68.698 68.868 0.010 0.000 0.891 30 T HN 0.412 nan 8.240 nan 0.000 0.492 31 S N 3.108 118.795 115.700 -0.021 0.000 2.447 31 S HA -0.145 4.318 4.470 -0.011 0.000 0.233 31 S C 1.806 176.386 174.600 -0.032 0.000 1.006 31 S CA 1.027 59.211 58.200 -0.026 0.000 0.957 31 S CB -0.831 62.366 63.200 -0.006 0.000 0.773 31 S HN 0.770 nan 8.310 nan 0.000 0.507 32 N N 1.313 120.001 118.700 -0.020 0.000 2.336 32 N HA 0.085 4.818 4.740 -0.011 0.000 0.189 32 N C -0.504 175.009 175.510 0.005 0.000 1.113 32 N CA -0.235 52.817 53.050 0.003 0.000 0.858 32 N CB -0.850 37.650 38.487 0.020 0.000 0.970 32 N HN 0.183 nan 8.380 nan 0.000 0.471 33 N N 2.252 120.868 118.700 -0.140 0.000 2.454 33 N HA 0.169 4.902 4.740 -0.011 0.000 0.254 33 N C -2.297 172.956 175.510 -0.428 0.000 1.228 33 N CA -0.970 51.850 53.050 -0.384 0.000 0.900 33 N CB 0.141 38.170 38.487 -0.763 0.000 1.089 33 N HN 0.216 nan 8.380 nan 0.000 0.449 34 P HA 0.071 nan 4.420 nan 0.000 0.271 34 P C -0.125 176.975 177.300 -0.333 0.000 1.233 34 P CA -0.093 62.602 63.100 -0.674 0.000 0.789 34 P CB 0.365 31.414 31.700 -1.085 0.000 0.951 35 T N -2.837 111.633 114.554 -0.140 0.000 2.942 35 T HA 0.690 5.033 4.350 -0.011 0.000 0.289 35 T C 0.465 175.182 174.700 0.030 0.000 1.044 35 T CA -0.009 62.078 62.100 -0.022 0.000 1.023 35 T CB 1.319 70.175 68.868 -0.020 0.000 1.123 35 T HN 0.780 nan 8.240 nan 0.000 0.512 36 G N 1.548 110.389 108.800 0.068 0.000 2.539 36 G HA2 -0.243 3.711 3.960 -0.011 0.000 0.256 36 G HA3 -0.243 3.711 3.960 -0.011 0.000 0.256 36 G C 0.211 175.157 174.900 0.078 0.000 1.233 36 G CA 0.381 45.517 45.100 0.060 0.000 0.936 36 G HN 0.754 nan 8.290 nan 0.000 0.571 37 D N 0.320 120.760 120.400 0.066 0.000 2.310 37 D HA 0.035 4.668 4.640 -0.011 0.000 0.212 37 D C 2.601 178.962 176.300 0.100 0.000 0.965 37 D CA 0.752 54.796 54.000 0.075 0.000 0.879 37 D CB -0.044 40.797 40.800 0.069 0.000 0.921 37 D HN 0.354 nan 8.370 nan 0.000 0.510 38 L N -0.684 120.599 121.223 0.100 0.000 2.201 38 L HA -0.112 4.221 4.340 -0.011 0.000 0.212 38 L C 0.531 177.524 176.870 0.206 0.000 1.105 38 L CA 0.636 55.551 54.840 0.125 0.000 0.775 38 L CB -0.022 42.026 42.059 -0.019 0.000 0.913 38 L HN 0.065 nan 8.230 nan 0.000 0.440 39 Y N 0.021 120.333 120.300 0.021 0.000 2.364 39 Y HA 0.370 4.913 4.550 -0.011 0.000 0.340 39 Y C -0.959 174.997 175.900 0.092 0.000 0.975 39 Y CA -1.911 56.221 58.100 0.054 0.000 1.089 39 Y CB 1.282 39.720 38.460 -0.037 0.000 1.192 39 Y HN -0.141 nan 8.280 nan 0.000 0.454 40 D N 8.367 128.549 120.400 -0.363 0.000 2.454 40 D HA 0.362 4.995 4.640 -0.011 0.000 0.247 40 D C -2.171 173.686 176.300 -0.739 0.000 1.129 40 D CA -2.603 51.138 54.000 -0.432 0.000 0.877 40 D CB 1.833 42.590 40.800 -0.071 0.000 1.082 40 D HN 0.341 nan 8.370 nan 0.000 0.537 41 P HA -0.108 nan 4.420 nan 0.000 0.226 41 P C 1.158 178.085 177.300 -0.622 0.000 1.153 41 P CA 0.895 63.589 63.100 -0.676 0.000 0.777 41 P CB -0.009 31.469 31.700 -0.371 0.000 0.794 42 T N -4.374 109.876 114.554 -0.507 0.000 3.055 42 T HA -0.106 4.237 4.350 -0.011 0.000 0.265 42 T C 0.708 175.078 174.700 -0.551 0.000 1.111 42 T CA 0.378 62.204 62.100 -0.458 0.000 1.118 42 T CB -1.455 67.248 68.868 -0.274 0.000 0.909 42 T HN 0.325 nan 8.240 nan 0.000 0.501 43 H N 0.820 119.376 119.070 -0.857 0.000 2.770 43 H HA -0.158 4.391 4.556 -0.011 0.000 0.309 43 H C 0.905 175.614 175.328 -1.032 0.000 1.206 43 H CA 0.420 55.462 56.048 -1.678 0.000 1.147 43 H CB -2.151 27.044 29.762 -0.946 0.000 1.422 43 H HN 0.706 nan 8.280 nan 0.000 0.420 44 T N -5.468 108.814 114.554 -0.453 0.000 2.966 44 T HA 0.117 4.460 4.350 -0.011 0.000 0.254 44 T C 0.798 175.600 174.700 0.171 0.000 0.961 44 T CA 0.335 62.414 62.100 -0.035 0.000 0.915 44 T CB 0.805 69.648 68.868 -0.042 0.000 1.186 44 T HN 0.168 nan 8.240 nan 0.000 0.505 45 S N 1.606 117.430 115.700 0.206 0.000 2.409 45 S HA 0.456 4.920 4.470 -0.011 0.000 0.308 45 S C 0.801 175.540 174.600 0.232 0.000 1.080 45 S CA -0.678 57.663 58.200 0.236 0.000 1.081 45 S CB -0.424 62.870 63.200 0.158 0.000 1.009 45 S HN 0.444 nan 8.310 nan 0.000 0.502 46 L N 4.478 125.752 121.223 0.084 0.000 2.622 46 L HA 0.155 4.488 4.340 -0.011 0.000 0.233 46 L C 1.608 178.035 176.870 -0.738 0.000 1.156 46 L CA 0.728 55.390 54.840 -0.297 0.000 0.866 46 L CB -0.110 41.761 42.059 -0.313 0.000 0.980 46 L HN 0.554 nan 8.230 nan 0.000 0.448 47 K N -0.937 119.134 120.400 -0.548 0.000 2.438 47 K HA 0.164 4.478 4.320 -0.011 0.000 0.205 47 K C 0.009 176.388 176.600 -0.369 0.000 1.033 47 K CA -0.251 55.721 56.287 -0.525 0.000 1.089 47 K CB 0.718 33.059 32.500 -0.264 0.000 0.857 47 K HN -0.027 nan 8.250 nan 0.000 0.522 48 K N 0.440 120.626 120.400 -0.357 0.000 2.090 48 K HA 0.232 4.545 4.320 -0.011 0.000 0.249 48 K C -0.231 176.222 176.600 -0.245 0.000 0.995 48 K CA -0.667 55.555 56.287 -0.109 0.000 0.914 48 K CB 0.423 32.992 32.500 0.115 0.000 1.057 48 K HN -0.092 nan 8.250 nan 0.000 0.462 49 Y N 0.942 121.231 120.300 -0.018 0.000 2.544 49 Y HA -0.046 4.497 4.550 -0.012 0.000 0.330 49 Y C 1.163 177.267 175.900 0.339 0.000 1.136 49 Y CA 0.346 58.487 58.100 0.069 0.000 1.417 49 Y CB 0.160 38.640 38.460 0.034 0.000 1.229 49 Y HN 0.403 nan 8.280 nan 0.000 0.532 50 F N 0.852 120.881 119.950 0.132 0.000 2.746 50 F HA 0.211 4.731 4.527 -0.011 0.000 0.297 50 F C 1.752 177.710 175.800 0.263 0.000 1.113 50 F CA 0.348 58.393 58.000 0.074 0.000 1.367 50 F CB -0.193 38.626 39.000 -0.302 0.000 1.111 50 F HN 0.765 nan 8.300 nan 0.000 0.590 51 G N -0.250 108.834 108.800 0.474 0.000 2.179 51 G HA2 -0.162 3.791 3.960 -0.011 0.000 0.220 51 G HA3 -0.162 3.791 3.960 -0.011 0.000 0.220 51 G C 0.791 175.825 174.900 0.224 0.000 0.990 51 G CA -0.233 45.069 45.100 0.336 0.000 0.646 51 G HN 0.683 nan 8.290 nan 0.000 0.517 52 G N 0.587 109.499 108.800 0.186 0.000 2.432 52 G HA2 0.539 4.493 3.960 -0.011 0.000 0.239 52 G HA3 0.539 4.493 3.960 -0.011 0.000 0.239 52 G C 0.022 174.980 174.900 0.097 0.000 1.291 52 G CA 1.072 46.241 45.100 0.115 0.000 0.863 52 G HN 1.054 nan 8.290 nan 0.000 0.560 53 D N -0.486 119.952 120.400 0.063 0.000 2.664 53 D HA 0.224 4.858 4.640 -0.011 0.000 0.292 53 D C 0.494 176.838 176.300 0.074 0.000 1.214 53 D CA -0.912 53.080 54.000 -0.014 0.000 0.932 53 D CB 0.223 41.051 40.800 0.046 0.000 1.420 53 D HN 0.312 nan 8.370 nan 0.000 0.471 54 W N -0.456 120.906 121.300 0.104 0.000 2.388 54 W HA -0.029 4.624 4.660 -0.012 0.000 0.294 54 W C 2.057 178.614 176.519 0.063 0.000 1.212 54 W CA 0.913 58.299 57.345 0.068 0.000 1.271 54 W CB -0.977 28.549 29.460 0.109 0.000 1.126 54 W HN 0.540 nan 8.180 nan 0.000 0.535 55 Q N 0.517 120.484 119.800 0.277 0.000 2.135 55 Q HA -0.101 4.233 4.340 -0.011 0.000 0.204 55 Q C 2.388 178.469 176.000 0.135 0.000 0.981 55 Q CA 2.522 58.428 55.803 0.173 0.000 0.856 55 Q CB -1.063 27.755 28.738 0.132 0.000 0.902 55 Q HN 0.172 nan 8.270 nan 0.000 0.425 56 G N 0.450 109.336 108.800 0.144 0.000 2.446 56 G HA2 -0.240 3.713 3.960 -0.011 0.000 0.217 56 G HA3 -0.240 3.713 3.960 -0.011 0.000 0.217 56 G C 1.449 176.465 174.900 0.194 0.000 1.168 56 G CA 1.091 46.269 45.100 0.131 0.000 0.771 56 G HN 0.442 nan 8.290 nan 0.000 0.551 57 I N 0.489 121.221 120.570 0.271 0.000 2.179 57 I HA -0.132 4.032 4.170 -0.011 0.000 0.242 57 I C 2.669 178.870 176.117 0.140 0.000 1.088 57 I CA 0.721 62.184 61.300 0.272 0.000 1.357 57 I CB -0.267 37.833 38.000 0.167 0.000 1.051 57 I HN 0.135 nan 8.210 nan 0.000 0.409 58 I N 1.111 121.740 120.570 0.099 0.000 2.194 58 I HA -0.357 3.807 4.170 -0.011 0.000 0.246 58 I C 2.234 178.353 176.117 0.004 0.000 1.093 58 I CA 1.473 62.795 61.300 0.037 0.000 1.355 58 I CB -0.587 37.446 38.000 0.055 0.000 1.046 58 I HN 0.334 nan 8.210 nan 0.000 0.413 59 N N 0.837 119.545 118.700 0.013 0.000 2.104 59 N HA -0.160 4.573 4.740 -0.011 0.000 0.190 59 N C 1.661 177.121 175.510 -0.085 0.000 1.024 59 N CA 1.181 54.208 53.050 -0.039 0.000 0.853 59 N CB -0.237 38.217 38.487 -0.055 0.000 1.008 59 N HN 0.254 nan 8.380 nan 0.000 0.424 60 K N 0.529 120.894 120.400 -0.058 0.000 2.432 60 K HA 0.165 4.478 4.320 -0.011 0.000 0.196 60 K C 1.936 178.526 176.600 -0.017 0.000 1.038 60 K CA 0.135 56.384 56.287 -0.064 0.000 0.986 60 K CB 0.013 32.531 32.500 0.030 0.000 0.782 60 K HN 0.318 nan 8.250 nan 0.000 0.485 61 I N 1.035 121.562 120.570 -0.072 0.000 2.339 61 I HA -0.187 3.976 4.170 -0.011 0.000 0.245 61 I C 1.702 177.575 176.117 -0.406 0.000 1.096 61 I CA 0.680 61.847 61.300 -0.221 0.000 1.408 61 I CB -0.213 37.649 38.000 -0.229 0.000 1.092 61 I HN 0.076 nan 8.210 nan 0.000 0.423 62 N N 1.267 119.795 118.700 -0.287 0.000 2.223 62 N HA -0.187 4.546 4.740 -0.011 0.000 0.185 62 N C 1.181 176.634 175.510 -0.096 0.000 1.016 62 N CA 1.690 54.623 53.050 -0.195 0.000 0.863 62 N CB -0.416 38.040 38.487 -0.051 0.000 0.983 62 N HN 0.512 nan 8.380 nan 0.000 0.429 63 D N -1.292 119.056 120.400 -0.087 0.000 2.339 63 D HA 0.117 4.750 4.640 -0.011 0.000 0.217 63 D C 1.136 177.427 176.300 -0.016 0.000 1.050 63 D CA 0.592 54.563 54.000 -0.048 0.000 0.856 63 D CB -0.239 40.517 40.800 -0.073 0.000 0.922 63 D HN 0.212 nan 8.370 nan 0.000 0.518 64 G N -0.185 108.601 108.800 -0.024 0.000 2.176 64 G HA2 -0.431 3.522 3.960 -0.011 0.000 0.253 64 G HA3 -0.431 3.522 3.960 -0.011 0.000 0.253 64 G C 0.632 175.563 174.900 0.052 0.000 0.979 64 G CA 0.363 45.468 45.100 0.009 0.000 0.641 64 G HN 0.381 nan 8.290 nan 0.000 0.530 65 Y N 0.896 121.173 120.300 -0.039 0.000 2.114 65 Y HA 0.103 4.646 4.550 -0.011 0.000 0.284 65 Y C 2.636 178.583 175.900 0.079 0.000 1.143 65 Y CA 2.419 60.546 58.100 0.045 0.000 1.135 65 Y CB -0.313 38.127 38.460 -0.032 0.000 0.980 65 Y HN 0.292 nan 8.280 nan 0.000 0.499 66 L N -0.671 120.528 121.223 -0.039 0.000 2.072 66 L HA -0.162 4.171 4.340 -0.011 0.000 0.205 66 L C 2.586 179.327 176.870 -0.216 0.000 1.079 66 L CA 1.754 56.465 54.840 -0.215 0.000 0.752 66 L CB -1.114 40.870 42.059 -0.125 0.000 0.906 66 L HN 0.347 nan 8.230 nan 0.000 0.436 67 T N -3.056 111.427 114.554 -0.118 0.000 2.867 67 T HA -0.095 4.248 4.350 -0.011 0.000 0.268 67 T C 1.874 176.517 174.700 -0.094 0.000 1.057 67 T CA 0.976 63.026 62.100 -0.083 0.000 1.136 67 T CB -0.809 68.052 68.868 -0.012 0.000 0.874 67 T HN 0.385 nan 8.240 nan 0.000 0.466 68 G N 0.335 109.092 108.800 -0.072 0.000 2.559 68 G HA2 0.029 3.983 3.960 -0.011 0.000 0.216 68 G HA3 0.029 3.983 3.960 -0.011 0.000 0.216 68 G C 1.379 176.203 174.900 -0.127 0.000 1.126 68 G CA 0.354 45.449 45.100 -0.008 0.000 0.778 68 G HN 0.517 nan 8.290 nan 0.000 0.543 69 M N -0.136 119.229 119.600 -0.392 0.000 2.382 69 M HA 0.261 4.734 4.480 -0.011 0.000 0.247 69 M C 1.632 177.691 176.300 -0.403 0.000 1.104 69 M CA 0.802 55.662 55.300 -0.733 0.000 1.030 69 M CB 0.616 32.628 32.600 -0.980 0.000 1.424 69 M HN 0.328 nan 8.290 nan 0.000 0.486 70 G N 1.210 109.857 108.800 -0.255 0.000 2.136 70 G HA2 -0.200 3.754 3.960 -0.011 0.000 0.242 70 G HA3 -0.200 3.754 3.960 -0.011 0.000 0.242 70 G C -0.044 174.764 174.900 -0.152 0.000 0.989 70 G CA 0.137 45.132 45.100 -0.175 0.000 0.682 70 G HN 0.330 nan 8.290 nan 0.000 0.522 71 V N 1.377 121.188 119.914 -0.172 0.000 2.599 71 V HA 0.413 4.526 4.120 -0.011 0.000 0.300 71 V C 1.648 177.703 176.094 -0.065 0.000 1.034 71 V CA 1.545 63.781 62.300 -0.106 0.000 1.115 71 V CB 1.226 32.958 31.823 -0.151 0.000 0.934 71 V HN 0.870 nan 8.190 nan 0.000 0.485 72 T N 0.830 115.362 114.554 -0.037 0.000 3.043 72 T HA 0.659 5.002 4.350 -0.011 0.000 0.272 72 T C 0.045 174.740 174.700 -0.010 0.000 0.990 72 T CA 0.389 62.463 62.100 -0.045 0.000 0.897 72 T CB 0.459 69.269 68.868 -0.097 0.000 1.111 72 T HN 1.061 nan 8.240 nan 0.000 0.529 73 A N 1.536 124.395 122.820 0.065 0.000 2.589 73 A HA 0.758 5.071 4.320 -0.011 0.000 0.296 73 A C -1.121 176.593 177.584 0.216 0.000 1.062 73 A CA -1.196 50.935 52.037 0.157 0.000 0.686 73 A CB 1.107 20.259 19.000 0.253 0.000 1.282 73 A HN 0.766 nan 8.150 nan 0.000 0.404 74 I N -2.060 118.649 120.570 0.232 0.000 2.646 74 I HA 0.919 5.083 4.170 -0.011 0.000 0.299 74 I C -1.043 175.280 176.117 0.343 0.000 1.036 74 I CA -0.807 60.643 61.300 0.250 0.000 1.074 74 I CB 2.087 40.170 38.000 0.138 0.000 1.258 74 I HN 0.770 nan 8.210 nan 0.000 0.430 75 W N 8.390 129.759 121.300 0.115 0.000 2.554 75 W HA 0.751 5.404 4.660 -0.012 0.000 0.324 75 W C -1.644 174.901 176.519 0.043 0.000 1.018 75 W CA -1.897 55.518 57.345 0.117 0.000 1.243 75 W CB 0.931 30.507 29.460 0.193 0.000 1.345 75 W HN 0.655 nan 8.180 nan 0.000 0.441 76 I N 5.172 125.944 120.570 0.337 0.000 2.797 76 I HA 0.757 4.921 4.170 -0.011 0.000 0.307 76 I C -2.111 174.104 176.117 0.163 0.000 1.033 76 I CA -2.939 58.424 61.300 0.105 0.000 1.071 76 I CB 2.108 40.169 38.000 0.102 0.000 1.255 76 I HN 0.135 nan 8.210 nan 0.000 0.445 77 P HA -0.001 nan 4.420 nan 0.000 0.274 77 P C -0.929 176.478 177.300 0.179 0.000 1.260 77 P CA -0.216 62.931 63.100 0.078 0.000 0.793 77 P CB 0.411 32.105 31.700 -0.010 0.000 1.048 78 Q N 1.506 121.404 119.800 0.165 0.000 2.269 78 Q HA -0.038 4.296 4.340 -0.011 0.000 0.300 78 Q C -1.358 174.752 176.000 0.183 0.000 1.070 78 Q CA -0.709 55.159 55.803 0.108 0.000 0.957 78 Q CB 0.272 29.035 28.738 0.041 0.000 1.131 78 Q HN 0.284 nan 8.270 nan 0.000 0.377 79 P HA -0.016 nan 4.420 nan 0.000 0.249 79 P C 0.167 177.553 177.300 0.144 0.000 1.229 79 P CA 0.225 63.487 63.100 0.270 0.000 0.788 79 P CB -0.035 31.510 31.700 -0.260 0.000 1.072 80 V N -2.136 117.752 119.914 -0.042 0.000 2.953 80 V HA 0.312 4.426 4.120 -0.011 0.000 0.304 80 V C 0.441 176.493 176.094 -0.069 0.000 1.073 80 V CA -1.111 61.219 62.300 0.051 0.000 1.064 80 V CB 0.485 32.303 31.823 -0.008 0.000 1.047 80 V HN -0.065 nan 8.190 nan 0.000 0.478 81 E N 2.766 122.931 120.200 -0.057 0.000 2.480 81 E HA 0.041 4.385 4.350 -0.011 0.000 0.258 81 E C -0.153 176.295 176.600 -0.254 0.000 0.984 81 E CA 0.257 56.553 56.400 -0.173 0.000 0.930 81 E CB 0.191 29.829 29.700 -0.103 0.000 0.936 81 E HN 0.871 nan 8.360 nan 0.000 0.466 82 N N 2.995 121.483 118.700 -0.354 0.000 2.483 82 N HA 0.309 5.042 4.740 -0.011 0.000 0.285 82 N C 0.050 175.283 175.510 -0.462 0.000 1.210 82 N CA -0.767 52.100 53.050 -0.305 0.000 0.931 82 N CB 1.045 39.389 38.487 -0.238 0.000 1.220 82 N HN 0.463 nan 8.380 nan 0.000 0.542 83 I N -1.066 119.373 120.570 -0.219 0.000 2.836 83 I HA 0.003 4.166 4.170 -0.011 0.000 0.285 83 I C -0.150 175.801 176.117 -0.277 0.000 1.174 83 I CA 0.099 61.275 61.300 -0.206 0.000 1.405 83 I CB 0.274 38.270 38.000 -0.006 0.000 1.385 83 I HN 0.601 nan 8.210 nan 0.000 0.594 84 Y N 3.322 123.671 120.300 0.082 0.000 2.449 84 Y HA 0.481 5.024 4.550 -0.012 0.000 0.254 84 Y C 1.443 177.396 175.900 0.088 0.000 1.140 84 Y CA 0.125 58.284 58.100 0.098 0.000 1.272 84 Y CB -0.148 38.342 38.460 0.049 0.000 1.114 84 Y HN 0.715 nan 8.280 nan 0.000 0.525 85 A N 0.838 123.758 122.820 0.167 0.000 2.462 85 A HA 0.429 4.742 4.320 -0.011 0.000 0.243 85 A C -0.223 177.431 177.584 0.116 0.000 1.076 85 A CA -0.246 51.846 52.037 0.091 0.000 0.773 85 A CB 0.084 19.070 19.000 -0.024 0.000 1.010 85 A HN 0.029 nan 8.150 nan 0.000 0.493 86 V N 4.350 124.323 119.914 0.099 0.000 2.364 86 V HA 0.272 4.385 4.120 -0.011 0.000 0.272 86 V C 0.130 176.274 176.094 0.083 0.000 1.036 86 V CA -0.102 62.270 62.300 0.120 0.000 0.880 86 V CB 0.549 32.441 31.823 0.114 0.000 0.991 86 V HN 0.689 nan 8.190 nan 0.000 0.460 87 L N 6.849 128.139 121.223 0.111 0.000 2.343 87 L HA 0.524 4.858 4.340 -0.011 0.000 0.275 87 L C -2.317 174.643 176.870 0.150 0.000 1.056 87 L CA -1.999 52.894 54.840 0.088 0.000 0.804 87 L CB 1.482 43.575 42.059 0.056 0.000 1.203 87 L HN 0.377 nan 8.230 nan 0.000 0.440 88 P HA 0.079 nan 4.420 nan 0.000 0.269 88 P C -1.157 176.238 177.300 0.157 0.000 1.209 88 P CA 0.010 63.199 63.100 0.148 0.000 0.776 88 P CB 0.582 32.365 31.700 0.138 0.000 0.876 89 D N 0.756 121.243 120.400 0.145 0.000 2.613 89 D HA 0.057 4.690 4.640 -0.011 0.000 0.230 89 D C 0.663 177.033 176.300 0.117 0.000 1.365 89 D CA -0.222 53.875 54.000 0.162 0.000 0.976 89 D CB 1.304 42.247 40.800 0.240 0.000 1.415 89 D HN 0.244 nan 8.370 nan 0.000 0.589 90 S N 1.481 117.227 115.700 0.077 0.000 2.469 90 S HA -0.101 4.362 4.470 -0.011 0.000 0.238 90 S C 1.350 175.935 174.600 -0.025 0.000 0.998 90 S CA 1.107 59.324 58.200 0.029 0.000 0.957 90 S CB 0.075 63.286 63.200 0.019 0.000 0.764 90 S HN 0.445 nan 8.310 nan 0.000 0.514 91 T N 0.474 114.991 114.554 -0.062 0.000 3.046 91 T HA 0.336 4.679 4.350 -0.011 0.000 0.242 91 T C 0.700 175.123 174.700 -0.462 0.000 1.018 91 T CA 0.357 62.270 62.100 -0.311 0.000 1.131 91 T CB -0.215 68.361 68.868 -0.486 0.000 0.904 91 T HN 0.489 nan 8.240 nan 0.000 0.459 92 F N 0.743 120.708 119.950 0.026 0.000 2.678 92 F HA 0.463 4.983 4.527 -0.011 0.000 0.305 92 F C 1.939 177.755 175.800 0.027 0.000 1.090 92 F CA 0.034 58.043 58.000 0.015 0.000 1.272 92 F CB 0.249 39.237 39.000 -0.019 0.000 1.060 92 F HN 0.349 nan 8.300 nan 0.000 0.576 93 G N 0.398 109.287 108.800 0.148 0.000 4.365 93 G HA2 -0.161 3.792 3.960 -0.011 0.000 0.214 93 G HA3 -0.161 3.792 3.960 -0.011 0.000 0.214 93 G C 0.591 175.568 174.900 0.128 0.000 1.450 93 G CA -0.236 44.930 45.100 0.111 0.000 0.937 93 G HN 0.763 nan 8.290 nan 0.000 0.625 94 G N -0.673 108.216 108.800 0.149 0.000 2.574 94 G HA2 0.706 4.660 3.960 -0.011 0.000 0.299 94 G HA3 0.706 4.660 3.960 -0.011 0.000 0.299 94 G C -0.947 174.049 174.900 0.161 0.000 1.298 94 G CA 0.975 46.162 45.100 0.145 0.000 0.952 94 G HN 1.386 nan 8.290 nan 0.000 0.477 95 S N -0.487 115.324 115.700 0.186 0.000 2.594 95 S HA 0.784 5.248 4.470 -0.011 0.000 0.296 95 S C 0.009 174.785 174.600 0.294 0.000 1.124 95 S CA -0.108 58.227 58.200 0.225 0.000 1.011 95 S CB 1.268 64.648 63.200 0.300 0.000 1.016 95 S HN 1.307 nan 8.310 nan 0.000 0.485 96 T N 0.444 115.114 114.554 0.193 0.000 2.888 96 T HA 0.527 4.871 4.350 -0.011 0.000 0.288 96 T C 0.779 175.286 174.700 -0.321 0.000 1.063 96 T CA -0.154 62.035 62.100 0.149 0.000 1.010 96 T CB 1.119 70.090 68.868 0.171 0.000 1.214 96 T HN 0.731 nan 8.240 nan 0.000 0.533 97 S N 0.019 115.539 115.700 -0.301 0.000 2.803 97 S HA 0.009 4.473 4.470 -0.011 0.000 0.228 97 S C 1.528 175.404 174.600 -1.206 0.000 0.953 97 S CA -0.118 57.566 58.200 -0.861 0.000 0.983 97 S CB -1.522 61.569 63.200 -0.180 0.000 0.784 97 S HN 0.832 nan 8.310 nan 0.000 0.498 98 Y N 2.690 122.126 120.300 -1.440 0.000 2.283 98 Y HA -0.284 4.260 4.550 -0.011 0.000 0.285 98 Y C 1.938 177.404 175.900 -0.723 0.000 1.176 98 Y CA 1.730 58.891 58.100 -1.565 0.000 1.229 98 Y CB -1.477 36.267 38.460 -1.193 0.000 0.975 98 Y HN 0.626 nan 8.280 nan 0.000 0.537 99 H N -1.594 116.553 119.070 -1.539 0.000 2.548 99 H HA 0.371 4.920 4.556 -0.011 0.000 0.268 99 H C 1.975 177.036 175.328 -0.445 0.000 0.975 99 H CA 0.001 55.389 56.048 -1.099 0.000 1.195 99 H CB -0.462 28.512 29.762 -1.315 0.000 1.397 99 H HN 0.427 nan 8.280 nan 0.000 0.572 100 G N -0.132 108.486 108.800 -0.303 0.000 2.176 100 G HA2 -0.412 3.541 3.960 -0.011 0.000 0.253 100 G HA3 -0.412 3.541 3.960 -0.011 0.000 0.253 100 G C 0.717 175.667 174.900 0.083 0.000 0.979 100 G CA 0.436 45.523 45.100 -0.022 0.000 0.641 100 G HN 0.511 nan 8.290 nan 0.000 0.530 101 Y N -0.150 120.173 120.300 0.039 0.000 2.546 101 Y HA 0.381 4.925 4.550 -0.010 0.000 0.287 101 Y C 0.608 176.708 175.900 0.333 0.000 1.158 101 Y CA -0.100 58.053 58.100 0.089 0.000 1.307 101 Y CB 0.218 38.586 38.460 -0.154 0.000 1.036 101 Y HN 0.320 nan 8.280 nan 0.000 0.532 102 W N 1.507 122.877 121.300 0.117 0.000 2.101 102 W HA 0.646 5.300 4.660 -0.010 0.000 0.301 102 W C 0.041 176.473 176.519 -0.145 0.000 0.846 102 W CA -1.913 55.434 57.345 0.003 0.000 1.823 102 W CB -0.809 28.671 29.460 0.033 0.000 2.007 102 W HN -0.068 nan 8.180 nan 0.000 0.373 103 A N 2.255 125.033 122.820 -0.070 0.000 2.498 103 A HA 0.341 4.654 4.320 -0.011 0.000 0.239 103 A C 1.426 178.889 177.584 -0.201 0.000 1.068 103 A CA 0.143 51.957 52.037 -0.371 0.000 0.766 103 A CB 0.493 18.822 19.000 -1.117 0.000 1.003 103 A HN 0.658 nan 8.150 nan 0.000 0.497 104 R N 0.383 120.785 120.500 -0.163 0.000 2.369 104 R HA 0.257 4.590 4.340 -0.011 0.000 0.210 104 R C -0.797 175.597 176.300 0.157 0.000 0.881 104 R CA 0.260 56.388 56.100 0.046 0.000 1.031 104 R CB 0.610 30.969 30.300 0.099 0.000 1.184 104 R HN 0.507 nan 8.270 nan 0.000 0.581 105 D N 0.000 120.420 120.400 0.032 0.000 2.470 105 D HA 0.157 4.791 4.640 -0.011 0.000 0.233 105 D C -0.612 175.811 176.300 0.206 0.000 1.372 105 D CA -0.665 53.470 54.000 0.226 0.000 0.994 105 D CB 0.882 41.812 40.800 0.217 0.000 1.377 105 D HN -0.005 nan 8.370 nan 0.000 0.586 106 F N 1.751 121.920 119.950 0.365 0.000 2.771 106 F HA 0.119 4.639 4.527 -0.012 0.000 0.299 106 F C 2.115 178.215 175.800 0.500 0.000 1.177 106 F CA 0.637 58.849 58.000 0.354 0.000 1.450 106 F CB 0.299 39.438 39.000 0.233 0.000 1.114 106 F HN 0.129 nan 8.300 nan 0.000 0.587 107 K N -0.461 120.245 120.400 0.510 0.000 2.358 107 K HA 0.210 4.523 4.320 -0.011 0.000 0.200 107 K C 0.444 177.270 176.600 0.377 0.000 1.030 107 K CA 0.076 56.574 56.287 0.352 0.000 1.097 107 K CB 0.624 33.258 32.500 0.223 0.000 0.862 107 K HN 0.139 nan 8.250 nan 0.000 0.534 108 R N 0.381 121.108 120.500 0.377 0.000 2.888 108 R HA 0.232 4.565 4.340 -0.011 0.000 0.266 108 R C -0.249 176.115 176.300 0.106 0.000 1.020 108 R CA -0.628 55.606 56.100 0.224 0.000 0.963 108 R CB 1.653 32.038 30.300 0.143 0.000 1.197 108 R HN 0.002 nan 8.270 nan 0.000 0.481 109 T N -1.242 113.169 114.554 -0.238 0.000 2.882 109 T HA 0.134 4.477 4.350 -0.011 0.000 0.287 109 T C 0.350 175.000 174.700 -0.084 0.000 1.014 109 T CA -0.796 61.271 62.100 -0.054 0.000 1.049 109 T CB 0.828 69.620 68.868 -0.128 0.000 1.001 109 T HN 0.394 nan 8.240 nan 0.000 0.525 110 N N 3.047 121.683 118.700 -0.107 0.000 2.406 110 N HA 0.146 4.879 4.740 -0.011 0.000 0.265 110 N C -1.290 173.957 175.510 -0.438 0.000 1.203 110 N CA -2.284 50.540 53.050 -0.376 0.000 0.945 110 N CB 0.963 39.064 38.487 -0.643 0.000 1.165 110 N HN 0.420 nan 8.380 nan 0.000 0.485 111 P HA -0.115 nan 4.420 nan 0.000 0.225 111 P C 0.547 177.614 177.300 -0.388 0.000 1.148 111 P CA 1.093 63.955 63.100 -0.397 0.000 0.779 111 P CB 0.062 31.509 31.700 -0.422 0.000 0.780 112 Y N -1.431 118.683 120.300 -0.311 0.000 2.314 112 Y HA -0.040 4.503 4.550 -0.011 0.000 0.293 112 Y C 2.295 178.096 175.900 -0.165 0.000 1.129 112 Y CA 0.582 58.511 58.100 -0.285 0.000 1.201 112 Y CB -1.382 36.816 38.460 -0.437 0.000 0.999 112 Y HN -0.141 nan 8.280 nan 0.000 0.541 113 F N -0.751 118.980 119.950 -0.364 0.000 2.234 113 F HA 0.375 4.895 4.527 -0.011 0.000 0.296 113 F C 1.485 176.691 175.800 -0.990 0.000 1.089 113 F CA 0.671 58.131 58.000 -0.900 0.000 1.343 113 F CB -0.731 37.337 39.000 -1.554 0.000 1.040 113 F HN -0.009 nan 8.300 nan 0.000 0.498 114 G N -0.989 107.509 108.800 -0.503 0.000 2.356 114 G HA2 0.321 4.274 3.960 -0.011 0.000 0.300 114 G HA3 0.321 4.274 3.960 -0.011 0.000 0.300 114 G C -0.867 174.123 174.900 0.151 0.000 1.331 114 G CA -0.467 44.619 45.100 -0.023 0.000 0.905 114 G HN 0.294 nan 8.290 nan 0.000 0.587 115 S N -1.016 114.836 115.700 0.253 0.000 2.686 115 S HA 0.629 5.093 4.470 -0.011 0.000 0.270 115 S C 1.019 175.821 174.600 0.336 0.000 1.194 115 S CA -0.167 58.156 58.200 0.205 0.000 0.990 115 S CB 0.863 64.168 63.200 0.175 0.000 1.029 115 S HN 0.601 nan 8.310 nan 0.000 0.560 116 F N 0.939 121.053 119.950 0.272 0.000 2.216 116 F HA -0.015 4.505 4.527 -0.012 0.000 0.300 116 F C 2.837 178.781 175.800 0.239 0.000 1.085 116 F CA 1.480 59.616 58.000 0.226 0.000 1.326 116 F CB -1.254 37.781 39.000 0.058 0.000 1.027 116 F HN 0.605 nan 8.300 nan 0.000 0.497 117 T N -0.860 113.913 114.554 0.365 0.000 2.777 117 T HA -0.160 4.184 4.350 -0.011 0.000 0.266 117 T C 1.566 176.421 174.700 0.258 0.000 1.040 117 T CA 1.511 63.764 62.100 0.256 0.000 1.141 117 T CB -0.286 68.691 68.868 0.183 0.000 0.868 117 T HN 0.182 nan 8.240 nan 0.000 0.444 118 D N 0.528 121.122 120.400 0.324 0.000 2.117 118 D HA -0.061 4.572 4.640 -0.011 0.000 0.197 118 D C 1.765 178.273 176.300 0.346 0.000 0.987 118 D CA 0.839 55.058 54.000 0.364 0.000 0.829 118 D CB -0.369 40.730 40.800 0.500 0.000 0.961 118 D HN 0.316 nan 8.370 nan 0.000 0.460 119 F N 1.627 121.712 119.950 0.225 0.000 2.134 119 F HA -0.183 4.338 4.527 -0.010 0.000 0.299 119 F C 2.589 178.365 175.800 -0.039 0.000 1.097 119 F CA 1.512 59.433 58.000 -0.131 0.000 1.264 119 F CB -0.166 38.754 39.000 -0.132 0.000 1.001 119 F HN -0.122 nan 8.300 nan 0.000 0.479 120 Q N 0.216 120.144 119.800 0.212 0.000 2.096 120 Q HA -0.252 4.082 4.340 -0.011 0.000 0.204 120 Q C 1.916 177.900 176.000 -0.027 0.000 0.982 120 Q CA 1.969 57.828 55.803 0.093 0.000 0.850 120 Q CB -0.232 28.595 28.738 0.149 0.000 0.901 120 Q HN 0.373 nan 8.270 nan 0.000 0.422 121 N N 0.580 119.291 118.700 0.018 0.000 2.166 121 N HA -0.166 4.567 4.740 -0.011 0.000 0.186 121 N C 1.679 177.143 175.510 -0.076 0.000 1.019 121 N CA 0.941 53.992 53.050 0.002 0.000 0.856 121 N CB -0.400 38.125 38.487 0.063 0.000 0.993 121 N HN 0.243 nan 8.380 nan 0.000 0.426 122 L N 1.151 122.275 121.223 -0.166 0.000 2.017 122 L HA -0.041 4.292 4.340 -0.011 0.000 0.208 122 L C 1.893 178.547 176.870 -0.360 0.000 1.073 122 L CA 1.351 56.030 54.840 -0.268 0.000 0.745 122 L CB -0.617 41.172 42.059 -0.450 0.000 0.894 122 L HN 0.026 nan 8.230 nan 0.000 0.432 123 I N 0.315 120.583 120.570 -0.504 0.000 2.163 123 I HA -0.307 3.856 4.170 -0.011 0.000 0.243 123 I C 2.222 178.000 176.117 -0.565 0.000 1.085 123 I CA 1.420 62.378 61.300 -0.569 0.000 1.347 123 I CB -1.556 36.177 38.000 -0.445 0.000 1.044 123 I HN 0.422 nan 8.210 nan 0.000 0.408 124 N N 0.395 118.926 118.700 -0.282 0.000 2.188 124 N HA -0.110 4.624 4.740 -0.011 0.000 0.184 124 N C 1.830 177.311 175.510 -0.049 0.000 1.018 124 N CA 1.597 54.568 53.050 -0.132 0.000 0.858 124 N CB -0.490 37.973 38.487 -0.040 0.000 0.989 124 N HN 0.350 nan 8.380 nan 0.000 0.426 125 T N 1.173 115.705 114.554 -0.037 0.000 2.746 125 T HA -0.035 4.309 4.350 -0.011 0.000 0.267 125 T C 2.015 176.796 174.700 0.135 0.000 1.039 125 T CA 1.314 63.458 62.100 0.072 0.000 1.142 125 T CB -0.308 68.581 68.868 0.035 0.000 0.866 125 T HN 0.314 nan 8.240 nan 0.000 0.444 126 A N 1.368 124.183 122.820 -0.009 0.000 1.883 126 A HA -0.194 4.120 4.320 -0.011 0.000 0.217 126 A C 1.946 179.623 177.584 0.155 0.000 1.186 126 A CA 1.818 53.876 52.037 0.034 0.000 0.624 126 A CB -1.070 17.896 19.000 -0.057 0.000 0.822 126 A HN 0.714 nan 8.150 nan 0.000 0.444 127 H N -0.826 118.259 119.070 0.025 0.000 2.387 127 H HA -0.018 4.532 4.556 -0.011 0.000 0.299 127 H C 2.422 177.743 175.328 -0.010 0.000 1.090 127 H CA 0.591 56.640 56.048 0.002 0.000 1.332 127 H CB -0.016 29.739 29.762 -0.011 0.000 1.386 127 H HN 0.571 nan 8.280 nan 0.000 0.516 128 A N 0.648 123.537 122.820 0.115 0.000 2.070 128 A HA -0.180 4.133 4.320 -0.011 0.000 0.220 128 A C 1.006 178.458 177.584 -0.221 0.000 1.159 128 A CA 1.490 53.493 52.037 -0.055 0.000 0.656 128 A CB -0.382 18.564 19.000 -0.090 0.000 0.800 128 A HN 0.482 nan 8.150 nan 0.000 0.453 129 H N -0.932 118.149 119.070 0.019 0.000 2.528 129 H HA 0.216 4.765 4.556 -0.011 0.000 0.282 129 H C 0.020 175.343 175.328 -0.009 0.000 1.097 129 H CA -0.115 55.933 56.048 -0.000 0.000 1.121 129 H CB 0.193 29.953 29.762 -0.003 0.000 1.590 129 H HN 0.401 nan 8.280 nan 0.000 0.553 130 N N 0.680 119.419 118.700 0.064 0.000 2.735 130 N HA -0.180 4.553 4.740 -0.011 0.000 0.248 130 N C -0.845 174.676 175.510 0.017 0.000 1.083 130 N CA 0.737 53.793 53.050 0.010 0.000 0.703 130 N CB -1.429 37.039 38.487 -0.031 0.000 1.005 130 N HN 0.464 nan 8.380 nan 0.000 0.550 131 I N 0.728 121.346 120.570 0.081 0.000 2.378 131 I HA 0.197 4.360 4.170 -0.011 0.000 0.291 131 I C 0.601 176.803 176.117 0.142 0.000 0.992 131 I CA -0.591 60.754 61.300 0.075 0.000 1.154 131 I CB 1.409 39.450 38.000 0.069 0.000 1.315 131 I HN -0.200 nan 8.210 nan 0.000 0.448 132 K N 4.728 125.183 120.400 0.092 0.000 2.154 132 K HA 0.582 4.895 4.320 -0.011 0.000 0.264 132 K C -0.935 175.800 176.600 0.225 0.000 1.008 132 K CA -0.621 55.762 56.287 0.160 0.000 0.937 132 K CB 1.787 34.297 32.500 0.017 0.000 1.002 132 K HN 0.275 nan 8.250 nan 0.000 0.469 133 V N 4.046 124.112 119.914 0.254 0.000 2.407 133 V HA 0.351 4.464 4.120 -0.011 0.000 0.291 133 V C -0.356 175.884 176.094 0.244 0.000 1.018 133 V CA -0.756 61.653 62.300 0.182 0.000 0.842 133 V CB 1.086 32.913 31.823 0.007 0.000 0.996 133 V HN 0.593 nan 8.190 nan 0.000 0.426 134 I N 6.140 126.869 120.570 0.265 0.000 2.377 134 I HA 0.532 4.695 4.170 -0.011 0.000 0.293 134 I C -0.075 176.169 176.117 0.212 0.000 0.987 134 I CA -0.503 60.928 61.300 0.219 0.000 1.185 134 I CB 1.633 39.758 38.000 0.208 0.000 1.341 134 I HN 0.613 nan 8.210 nan 0.000 0.455 135 I N 1.478 122.135 120.570 0.145 0.000 2.460 135 I HA 0.546 4.709 4.170 -0.011 0.000 0.298 135 I C -0.562 175.613 176.117 0.097 0.000 0.989 135 I CA -0.839 60.553 61.300 0.154 0.000 1.173 135 I CB 1.214 39.269 38.000 0.092 0.000 1.338 135 I HN 0.306 nan 8.210 nan 0.000 0.456 136 D N 4.101 124.616 120.400 0.191 0.000 2.423 136 D HA 0.297 4.930 4.640 -0.011 0.000 0.238 136 D C -1.183 175.246 176.300 0.214 0.000 1.142 136 D CA 0.831 54.937 54.000 0.178 0.000 0.884 136 D CB 0.859 41.800 40.800 0.235 0.000 1.199 136 D HN 0.461 nan 8.370 nan 0.000 0.438 137 F N 0.485 120.451 119.950 0.026 0.000 2.573 137 F HA 0.494 5.014 4.527 -0.011 0.000 0.316 137 F C -0.954 174.907 175.800 0.102 0.000 1.148 137 F CA -0.934 57.107 58.000 0.069 0.000 0.940 137 F CB 1.631 40.679 39.000 0.081 0.000 1.214 137 F HN 0.276 nan 8.300 nan 0.000 0.448 138 A N 7.254 129.923 122.820 -0.250 0.000 3.064 138 A HA 0.465 4.779 4.320 -0.011 0.000 0.339 138 A C -2.353 175.009 177.584 -0.369 0.000 1.078 138 A CA -1.092 50.805 52.037 -0.234 0.000 0.869 138 A CB -0.295 18.532 19.000 -0.288 0.000 1.067 138 A HN 0.452 nan 8.150 nan 0.000 0.480 139 P HA -0.059 nan 4.420 nan 0.000 0.245 139 P C 0.772 177.815 177.300 -0.428 0.000 1.212 139 P CA 0.562 63.342 63.100 -0.535 0.000 0.774 139 P CB 0.124 31.576 31.700 -0.414 0.000 0.999 140 N N 0.763 119.251 118.700 -0.353 0.000 2.244 140 N HA -0.123 4.610 4.740 -0.011 0.000 0.183 140 N C 0.701 176.129 175.510 -0.138 0.000 1.016 140 N CA 0.732 53.654 53.050 -0.214 0.000 0.866 140 N CB -0.086 38.398 38.487 -0.005 0.000 0.980 140 N HN 0.323 nan 8.380 nan 0.000 0.430 141 H N -5.091 113.940 119.070 -0.064 0.000 2.981 141 H HA 0.235 4.784 4.556 -0.012 0.000 0.327 141 H C -0.014 175.369 175.328 0.091 0.000 1.342 141 H CA -0.154 55.888 56.048 -0.009 0.000 1.123 141 H CB 0.770 30.484 29.762 -0.080 0.000 1.851 141 H HN 0.034 nan 8.280 nan 0.000 0.531 142 T N -0.488 114.239 114.554 0.289 0.000 3.523 142 T HA 0.295 4.638 4.350 -0.011 0.000 0.216 142 T C 0.707 175.496 174.700 0.149 0.000 0.922 142 T CA 0.908 63.136 62.100 0.215 0.000 1.558 142 T CB -0.521 68.491 68.868 0.240 0.000 1.424 142 T HN 0.843 nan 8.240 nan 0.000 0.452 143 S N 0.545 116.223 115.700 -0.037 0.000 2.625 143 S HA 0.637 5.100 4.470 -0.011 0.000 0.271 143 S C -3.400 170.938 174.600 -0.437 0.000 1.161 143 S CA -1.595 56.449 58.200 -0.261 0.000 0.820 143 S CB 1.086 64.172 63.200 -0.190 0.000 1.137 143 S HN 0.224 nan 8.310 nan 0.000 0.470 144 P HA 0.446 nan 4.420 nan 0.000 0.264 144 P C -0.971 176.158 177.300 -0.285 0.000 1.183 144 P CA 0.345 63.165 63.100 -0.467 0.000 0.763 144 P CB 0.364 31.726 31.700 -0.564 0.000 0.807 145 A N 2.272 124.976 122.820 -0.194 0.000 2.572 145 A HA 0.678 4.992 4.320 -0.011 0.000 0.295 145 A C -0.949 176.626 177.584 -0.015 0.000 1.072 145 A CA -0.491 51.475 52.037 -0.118 0.000 0.691 145 A CB 1.590 20.372 19.000 -0.363 0.000 1.291 145 A HN 0.347 nan 8.150 nan 0.000 0.404 146 S N -0.063 115.704 115.700 0.112 0.000 2.605 146 S HA 0.364 4.827 4.470 -0.011 0.000 0.308 146 S C 0.583 175.281 174.600 0.163 0.000 1.113 146 S CA -0.136 58.118 58.200 0.090 0.000 1.049 146 S CB 1.419 64.620 63.200 0.001 0.000 1.001 146 S HN 0.796 nan 8.310 nan 0.000 0.480 147 E N 2.603 122.939 120.200 0.226 0.000 2.072 147 E HA -0.136 4.208 4.350 -0.011 0.000 0.191 147 E C 1.674 178.288 176.600 0.022 0.000 0.985 147 E CA 1.969 58.434 56.400 0.108 0.000 0.801 147 E CB -0.066 29.623 29.700 -0.017 0.000 0.750 147 E HN 0.876 nan 8.360 nan 0.000 0.452 148 T N -1.836 112.729 114.554 0.018 0.000 2.985 148 T HA -0.110 4.233 4.350 -0.011 0.000 0.266 148 T C 0.779 175.480 174.700 0.003 0.000 1.076 148 T CA 0.894 62.991 62.100 -0.006 0.000 1.135 148 T CB 0.090 68.950 68.868 -0.014 0.000 0.890 148 T HN -0.047 nan 8.240 nan 0.000 0.480 149 D N 2.528 122.940 120.400 0.020 0.000 2.458 149 D HA 0.313 4.946 4.640 -0.011 0.000 0.258 149 D C -1.875 174.468 176.300 0.072 0.000 1.134 149 D CA -2.756 51.266 54.000 0.036 0.000 0.915 149 D CB 1.647 42.463 40.800 0.026 0.000 1.028 149 D HN 0.047 nan 8.370 nan 0.000 0.508 150 P HA -0.088 nan 4.420 nan 0.000 0.230 150 P C 1.163 178.495 177.300 0.053 0.000 1.158 150 P CA 0.757 63.887 63.100 0.049 0.000 0.769 150 P CB -0.035 31.679 31.700 0.024 0.000 0.807 151 T N -5.128 109.464 114.554 0.064 0.000 3.055 151 T HA -0.113 4.230 4.350 -0.011 0.000 0.265 151 T C 0.687 175.435 174.700 0.079 0.000 1.111 151 T CA -0.161 61.975 62.100 0.059 0.000 1.118 151 T CB -1.100 67.802 68.868 0.056 0.000 0.909 151 T HN -0.071 nan 8.240 nan 0.000 0.501 152 Y N 3.203 123.492 120.300 -0.018 0.000 2.544 152 Y HA 0.413 4.956 4.550 -0.012 0.000 0.330 152 Y C 1.087 176.957 175.900 -0.050 0.000 1.136 152 Y CA -0.333 57.747 58.100 -0.034 0.000 1.417 152 Y CB -0.154 38.278 38.460 -0.047 0.000 1.229 152 Y HN 0.606 nan 8.280 nan 0.000 0.532 153 A N 4.584 126.952 122.820 -0.752 0.000 5.483 153 A HA -0.364 3.950 4.320 -0.011 0.000 0.309 153 A C 0.895 178.338 177.584 -0.235 0.000 1.898 153 A CA 1.673 53.363 52.037 -0.578 0.000 0.716 153 A CB -1.445 17.095 19.000 -0.766 0.000 1.309 153 A HN 0.837 nan 8.150 nan 0.000 0.380 154 E N 1.006 121.100 120.200 -0.178 0.000 2.585 154 E HA 0.252 4.596 4.350 -0.011 0.000 0.206 154 E C 0.431 177.002 176.600 -0.049 0.000 1.007 154 E CA 0.369 56.736 56.400 -0.054 0.000 1.028 154 E CB -0.035 29.675 29.700 0.016 0.000 1.087 154 E HN 0.662 nan 8.360 nan 0.000 0.455 155 N N 0.695 119.346 118.700 -0.081 0.000 2.693 155 N HA -0.262 4.471 4.740 -0.011 0.000 0.249 155 N C 0.730 176.166 175.510 -0.123 0.000 1.119 155 N CA 0.464 53.481 53.050 -0.055 0.000 0.717 155 N CB -0.805 37.679 38.487 -0.004 0.000 1.071 155 N HN 0.566 nan 8.380 nan 0.000 0.555 156 G N -0.045 108.651 108.800 -0.175 0.000 2.168 156 G HA2 -0.364 3.589 3.960 -0.011 0.000 0.257 156 G HA3 -0.364 3.589 3.960 -0.011 0.000 0.257 156 G C 0.190 175.048 174.900 -0.071 0.000 0.997 156 G CA 0.734 45.701 45.100 -0.221 0.000 0.708 156 G HN 0.647 nan 8.290 nan 0.000 0.520 157 R N -0.825 119.670 120.500 -0.008 0.000 2.585 157 R HA 0.337 4.670 4.340 -0.011 0.000 0.275 157 R C 0.113 176.445 176.300 0.053 0.000 1.018 157 R CA -0.095 56.015 56.100 0.018 0.000 1.072 157 R CB 0.449 30.733 30.300 -0.027 0.000 0.953 157 R HN 0.275 nan 8.270 nan 0.000 0.419 158 L N 4.238 125.450 121.223 -0.020 0.000 2.341 158 L HA 0.396 4.729 4.340 -0.011 0.000 0.278 158 L C -1.508 175.194 176.870 -0.280 0.000 1.005 158 L CA -0.524 54.304 54.840 -0.020 0.000 0.818 158 L CB 1.157 43.202 42.059 -0.023 0.000 1.259 158 L HN 0.398 nan 8.230 nan 0.000 0.418 159 Y N 2.031 122.344 120.300 0.022 0.000 2.468 159 Y HA 0.468 5.012 4.550 -0.010 0.000 0.342 159 Y C -0.352 175.587 175.900 0.065 0.000 1.021 159 Y CA -0.751 57.366 58.100 0.028 0.000 1.079 159 Y CB 1.584 40.089 38.460 0.074 0.000 1.226 159 Y HN 0.535 nan 8.280 nan 0.000 0.460 160 D N 2.557 123.082 120.400 0.208 0.000 2.477 160 D HA 0.113 4.746 4.640 -0.011 0.000 0.239 160 D C -0.310 176.161 176.300 0.285 0.000 1.102 160 D CA -0.337 53.852 54.000 0.315 0.000 0.901 160 D CB -0.200 40.689 40.800 0.149 0.000 1.026 160 D HN 0.600 nan 8.370 nan 0.000 0.515 161 N N 3.404 122.287 118.700 0.304 0.000 2.705 161 N HA -0.246 4.487 4.740 -0.011 0.000 0.255 161 N C 0.987 176.596 175.510 0.166 0.000 1.008 161 N CA 1.895 55.069 53.050 0.207 0.000 0.742 161 N CB -1.084 37.495 38.487 0.153 0.000 0.906 161 N HN 0.793 nan 8.380 nan 0.000 0.541 162 G N -2.113 106.797 108.800 0.182 0.000 2.268 162 G HA2 -0.269 3.684 3.960 -0.011 0.000 0.240 162 G HA3 -0.269 3.684 3.960 -0.011 0.000 0.240 162 G C 0.261 175.310 174.900 0.248 0.000 1.010 162 G CA 0.407 45.587 45.100 0.133 0.000 0.618 162 G HN 0.731 nan 8.290 nan 0.000 0.516 163 T N 2.317 117.017 114.554 0.242 0.000 2.749 163 T HA 0.517 4.860 4.350 -0.011 0.000 0.295 163 T C 0.249 175.062 174.700 0.190 0.000 0.936 163 T CA -0.237 61.982 62.100 0.200 0.000 1.060 163 T CB 1.816 70.753 68.868 0.115 0.000 0.904 163 T HN 0.661 nan 8.240 nan 0.000 0.500 164 L N 5.329 126.639 121.223 0.144 0.000 2.534 164 L HA 0.147 4.480 4.340 -0.011 0.000 0.271 164 L C 0.817 177.604 176.870 -0.138 0.000 1.178 164 L CA 0.470 55.192 54.840 -0.197 0.000 0.907 164 L CB -0.127 41.826 42.059 -0.178 0.000 1.164 164 L HN 0.711 nan 8.230 nan 0.000 0.482 165 L N 4.664 125.752 121.223 -0.225 0.000 2.084 165 L HA 0.395 4.729 4.340 -0.011 0.000 0.202 165 L C 1.144 178.070 176.870 0.093 0.000 1.074 165 L CA 0.708 55.465 54.840 -0.139 0.000 0.757 165 L CB -0.529 41.243 42.059 -0.478 0.000 0.918 165 L HN 0.869 nan 8.230 nan 0.000 0.444 166 G N -1.787 107.036 108.800 0.038 0.000 2.316 166 G HA2 0.419 4.372 3.960 -0.011 0.000 0.296 166 G HA3 0.419 4.372 3.960 -0.011 0.000 0.296 166 G C -1.333 173.702 174.900 0.225 0.000 1.399 166 G CA -0.233 44.967 45.100 0.167 0.000 0.833 166 G HN 0.230 nan 8.290 nan 0.000 0.565 167 G N -1.890 107.027 108.800 0.195 0.000 3.016 167 G HA2 0.501 4.455 3.960 -0.011 0.000 0.270 167 G HA3 0.501 4.455 3.960 -0.011 0.000 0.270 167 G C 0.231 175.174 174.900 0.073 0.000 1.352 167 G CA -0.247 44.923 45.100 0.116 0.000 1.060 167 G HN 0.663 nan 8.290 nan 0.000 0.538 168 Y N 0.083 120.181 120.300 -0.337 0.000 2.337 168 Y HA 0.153 4.698 4.550 -0.009 0.000 0.293 168 Y C 1.741 177.621 175.900 -0.033 0.000 1.123 168 Y CA 0.994 58.871 58.100 -0.371 0.000 1.201 168 Y CB -0.024 38.149 38.460 -0.479 0.000 1.011 168 Y HN 0.283 nan 8.280 nan 0.000 0.545 169 T N 2.392 116.928 114.554 -0.029 0.000 2.889 169 T HA 0.100 4.444 4.350 -0.011 0.000 0.291 169 T C -0.166 174.487 174.700 -0.078 0.000 0.995 169 T CA -0.334 61.719 62.100 -0.078 0.000 1.092 169 T CB 0.382 69.233 68.868 -0.029 0.000 0.954 169 T HN 0.283 nan 8.240 nan 0.000 0.506 170 N N 1.780 120.402 118.700 -0.130 0.000 2.740 170 N HA -0.152 4.581 4.740 -0.011 0.000 0.248 170 N C -0.575 174.868 175.510 -0.111 0.000 1.062 170 N CA 0.490 53.466 53.050 -0.122 0.000 0.704 170 N CB -0.936 37.504 38.487 -0.078 0.000 0.968 170 N HN 0.735 nan 8.380 nan 0.000 0.547 171 D N 0.339 120.655 120.400 -0.140 0.000 2.688 171 D HA 0.115 4.748 4.640 -0.011 0.000 0.228 171 D C 1.472 177.662 176.300 -0.183 0.000 1.116 171 D CA 0.356 54.317 54.000 -0.066 0.000 1.023 171 D CB -0.031 40.862 40.800 0.154 0.000 1.100 171 D HN 0.388 nan 8.370 nan 0.000 0.487 172 T N -0.987 113.453 114.554 -0.190 0.000 2.962 172 T HA -0.125 4.218 4.350 -0.011 0.000 0.270 172 T C 1.448 175.995 174.700 -0.255 0.000 1.088 172 T CA 0.570 62.550 62.100 -0.200 0.000 1.127 172 T CB -0.043 68.733 68.868 -0.152 0.000 0.883 172 T HN 0.185 nan 8.240 nan 0.000 0.493 173 N N 1.475 119.932 118.700 -0.406 0.000 2.446 173 N HA 0.104 4.837 4.740 -0.011 0.000 0.179 173 N C 1.446 176.648 175.510 -0.512 0.000 1.054 173 N CA 0.857 53.543 53.050 -0.606 0.000 0.905 173 N CB -0.099 37.602 38.487 -1.310 0.000 0.973 173 N HN 0.710 nan 8.380 nan 0.000 0.448 174 G N 1.084 109.677 108.800 -0.345 0.000 2.256 174 G HA2 -0.280 3.673 3.960 -0.011 0.000 0.272 174 G HA3 -0.280 3.673 3.960 -0.011 0.000 0.272 174 G C 0.229 175.063 174.900 -0.110 0.000 1.076 174 G CA 0.043 45.057 45.100 -0.144 0.000 0.882 174 G HN 0.308 nan 8.290 nan 0.000 0.497 175 Y N -1.206 119.011 120.300 -0.139 0.000 2.509 175 Y HA 0.380 4.926 4.550 -0.008 0.000 0.293 175 Y C 1.427 176.904 175.900 -0.705 0.000 1.133 175 Y CA 0.000 57.831 58.100 -0.449 0.000 1.283 175 Y CB -0.099 37.993 38.460 -0.615 0.000 1.001 175 Y HN 0.378 nan 8.280 nan 0.000 0.555 176 F N -2.193 117.769 119.950 0.020 0.000 2.611 176 F HA 0.418 4.937 4.527 -0.013 0.000 0.324 176 F C 0.012 175.645 175.800 -0.278 0.000 1.061 176 F CA -1.683 56.236 58.000 -0.136 0.000 0.954 176 F CB 0.903 39.920 39.000 0.029 0.000 1.301 176 F HN -0.245 nan 8.300 nan 0.000 0.482 177 H N 0.536 119.637 119.070 0.052 0.000 2.582 177 H HA 0.277 4.826 4.556 -0.011 0.000 0.345 177 H C -0.549 174.534 175.328 -0.409 0.000 1.104 177 H CA -0.261 55.739 56.048 -0.080 0.000 1.390 177 H CB 0.597 30.458 29.762 0.166 0.000 1.461 177 H HN 0.461 nan 8.280 nan 0.000 0.551 178 H N 4.108 123.037 119.070 -0.236 0.000 2.471 178 H HA 0.054 4.605 4.556 -0.009 0.000 0.234 178 H C -0.632 174.472 175.328 -0.373 0.000 1.388 178 H CA -0.020 55.860 56.048 -0.280 0.000 1.198 178 H CB 0.104 29.641 29.762 -0.375 0.000 1.714 178 H HN 0.741 nan 8.280 nan 0.000 0.536 179 Y N 0.014 120.376 120.300 0.105 0.000 2.706 179 Y HA 0.313 4.857 4.550 -0.009 0.000 0.255 179 Y C 1.569 177.471 175.900 0.004 0.000 1.163 179 Y CA 0.106 58.222 58.100 0.026 0.000 1.174 179 Y CB 0.860 39.308 38.460 -0.020 0.000 1.200 179 Y HN 0.663 nan 8.280 nan 0.000 0.544 180 G N 0.390 109.270 108.800 0.133 0.000 2.598 180 G HA2 -0.070 3.884 3.960 -0.011 0.000 0.244 180 G HA3 -0.070 3.884 3.960 -0.011 0.000 0.244 180 G C 0.279 175.190 174.900 0.019 0.000 1.302 180 G CA -0.505 44.636 45.100 0.068 0.000 0.903 180 G HN 0.706 nan 8.290 nan 0.000 0.575 181 G N -1.177 107.597 108.800 -0.044 0.000 2.400 181 G HA2 0.681 4.634 3.960 -0.011 0.000 0.333 181 G HA3 0.681 4.634 3.960 -0.011 0.000 0.333 181 G C 0.092 174.869 174.900 -0.205 0.000 1.143 181 G CA 1.008 46.031 45.100 -0.129 0.000 0.914 181 G HN 1.259 nan 8.290 nan 0.000 0.480 182 T N -0.608 113.726 114.554 -0.367 0.000 2.907 182 T HA 0.259 4.603 4.350 -0.011 0.000 0.298 182 T C 0.743 175.087 174.700 -0.593 0.000 1.017 182 T CA 0.071 61.862 62.100 -0.516 0.000 1.118 182 T CB 0.720 69.144 68.868 -0.741 0.000 0.948 182 T HN 0.578 nan 8.240 nan 0.000 0.531 183 D N 2.503 122.673 120.400 -0.382 0.000 2.402 183 D HA 0.106 4.739 4.640 -0.011 0.000 0.216 183 D C 0.440 176.755 176.300 0.025 0.000 1.128 183 D CA -0.416 53.489 54.000 -0.157 0.000 0.833 183 D CB -0.737 40.037 40.800 -0.043 0.000 0.971 183 D HN 0.615 nan 8.370 nan 0.000 0.503 184 F N 0.476 120.400 119.950 -0.043 0.000 3.084 184 F HA -0.299 4.222 4.527 -0.010 0.000 0.286 184 F C 1.692 177.493 175.800 0.002 0.000 0.855 184 F CA 0.651 58.645 58.000 -0.009 0.000 1.091 184 F CB -2.646 36.352 39.000 -0.002 0.000 1.177 184 F HN 0.176 nan 8.300 nan 0.000 0.542 185 S N -1.639 114.108 115.700 0.077 0.000 2.453 185 S HA 0.206 4.669 4.470 -0.011 0.000 0.231 185 S C 0.799 175.426 174.600 0.045 0.000 1.005 185 S CA 0.585 58.818 58.200 0.054 0.000 0.949 185 S CB 0.251 63.455 63.200 0.005 0.000 0.774 185 S HN 0.842 nan 8.310 nan 0.000 0.510 186 S N -1.218 114.502 115.700 0.033 0.000 2.588 186 S HA 0.482 4.945 4.470 -0.011 0.000 0.269 186 S C 0.051 174.697 174.600 0.077 0.000 1.157 186 S CA -0.676 57.549 58.200 0.042 0.000 0.824 186 S CB 0.366 63.542 63.200 -0.040 0.000 1.126 186 S HN 0.028 nan 8.310 nan 0.000 0.464 187 Y N 1.336 121.623 120.300 -0.021 0.000 2.114 187 Y HA -0.143 4.400 4.550 -0.010 0.000 0.282 187 Y C 2.316 178.130 175.900 -0.142 0.000 1.165 187 Y CA 2.543 60.645 58.100 0.003 0.000 1.148 187 Y CB -0.567 38.005 38.460 0.188 0.000 0.972 187 Y HN 1.006 nan 8.280 nan 0.000 0.504 188 E N -0.457 119.417 120.200 -0.544 0.000 2.058 188 E HA -0.277 4.067 4.350 -0.011 0.000 0.194 188 E C 2.169 178.543 176.600 -0.377 0.000 0.997 188 E CA 1.540 57.327 56.400 -1.021 0.000 0.801 188 E CB -0.507 28.304 29.700 -1.482 0.000 0.746 188 E HN 0.593 nan 8.360 nan 0.000 0.450 189 D N -0.664 119.577 120.400 -0.264 0.000 2.123 189 D HA -0.145 4.488 4.640 -0.011 0.000 0.196 189 D C 1.825 178.030 176.300 -0.159 0.000 0.992 189 D CA 1.454 55.346 54.000 -0.180 0.000 0.833 189 D CB -0.209 40.502 40.800 -0.149 0.000 0.954 189 D HN 0.344 nan 8.370 nan 0.000 0.455 190 G N 0.110 108.845 108.800 -0.108 0.000 2.598 190 G HA2 -0.071 3.882 3.960 -0.011 0.000 0.215 190 G HA3 -0.071 3.882 3.960 -0.011 0.000 0.215 190 G C 1.767 176.695 174.900 0.047 0.000 1.131 190 G CA 0.011 45.110 45.100 -0.002 0.000 0.785 190 G HN 0.305 nan 8.290 nan 0.000 0.539 191 I N -1.424 119.065 120.570 -0.135 0.000 2.429 191 I HA 0.078 4.241 4.170 -0.011 0.000 0.247 191 I C 1.826 177.696 176.117 -0.412 0.000 1.099 191 I CA 0.583 61.712 61.300 -0.285 0.000 1.422 191 I CB 0.136 37.855 38.000 -0.469 0.000 1.112 191 I HN 0.090 nan 8.210 nan 0.000 0.430 192 Y N 0.723 120.902 120.300 -0.200 0.000 2.478 192 Y HA 0.232 4.775 4.550 -0.012 0.000 0.261 192 Y C 1.051 176.813 175.900 -0.230 0.000 1.127 192 Y CA -0.112 57.750 58.100 -0.396 0.000 1.288 192 Y CB 0.141 38.318 38.460 -0.471 0.000 1.084 192 Y HN -0.088 nan 8.280 nan 0.000 0.530 193 R N 0.451 120.931 120.500 -0.033 0.000 2.758 193 R HA 0.265 4.598 4.340 -0.011 0.000 0.265 193 R C -0.549 175.712 176.300 -0.066 0.000 1.016 193 R CA -1.120 54.978 56.100 -0.003 0.000 1.040 193 R CB 0.503 30.756 30.300 -0.078 0.000 1.152 193 R HN -0.018 nan 8.270 nan 0.000 0.503 194 N N 1.355 120.011 118.700 -0.073 0.000 2.492 194 N HA 0.064 4.797 4.740 -0.011 0.000 0.262 194 N C -0.334 175.002 175.510 -0.289 0.000 1.202 194 N CA 0.124 53.089 53.050 -0.142 0.000 0.926 194 N CB 0.510 38.908 38.487 -0.148 0.000 1.078 194 N HN 0.324 nan 8.380 nan 0.000 0.454 195 L N 4.222 125.251 121.223 -0.322 0.000 2.369 195 L HA 0.118 4.451 4.340 -0.011 0.000 0.279 195 L C 0.472 177.132 176.870 -0.351 0.000 1.108 195 L CA -0.049 54.475 54.840 -0.526 0.000 0.852 195 L CB -0.523 41.280 42.059 -0.426 0.000 1.169 195 L HN 0.503 nan 8.230 nan 0.000 0.452 196 F N 0.828 120.713 119.950 -0.109 0.000 2.756 196 F HA -0.415 4.105 4.527 -0.012 0.000 0.240 196 F C 1.349 177.072 175.800 -0.129 0.000 1.487 196 F CA 1.562 59.516 58.000 -0.077 0.000 1.859 196 F CB -0.990 37.990 39.000 -0.033 0.000 1.319 196 F HN 0.740 nan 8.300 nan 0.000 0.230 197 D N 1.094 121.546 120.400 0.088 0.000 2.462 197 D HA 0.278 4.911 4.640 -0.011 0.000 0.221 197 D C -0.166 176.009 176.300 -0.209 0.000 1.173 197 D CA 0.086 54.036 54.000 -0.083 0.000 0.831 197 D CB -0.716 40.043 40.800 -0.068 0.000 1.001 197 D HN 0.424 nan 8.370 nan 0.000 0.499 198 L N 1.204 122.311 121.223 -0.194 0.000 2.360 198 L HA 0.392 4.725 4.340 -0.011 0.000 0.276 198 L C 0.775 177.449 176.870 -0.327 0.000 1.121 198 L CA -0.880 53.785 54.840 -0.292 0.000 0.845 198 L CB 0.827 42.659 42.059 -0.377 0.000 1.143 198 L HN 0.022 nan 8.230 nan 0.000 0.452 199 A N 2.804 125.362 122.820 -0.437 0.000 2.505 199 A HA 0.008 4.321 4.320 -0.011 0.000 0.271 199 A C -0.008 177.533 177.584 -0.072 0.000 1.112 199 A CA -0.219 51.445 52.037 -0.621 0.000 0.781 199 A CB -0.359 18.101 19.000 -0.899 0.000 1.059 199 A HN 0.733 nan 8.150 nan 0.000 0.508 200 D N 2.647 123.043 120.400 -0.007 0.000 2.339 200 D HA 0.335 4.968 4.640 -0.011 0.000 0.256 200 D C 0.100 176.482 176.300 0.137 0.000 1.214 200 D CA 0.193 54.269 54.000 0.127 0.000 0.877 200 D CB 0.285 41.199 40.800 0.189 0.000 1.111 200 D HN 0.485 nan 8.370 nan 0.000 0.478 201 L N 3.607 124.830 121.223 0.000 0.000 2.456 201 L HA 0.093 4.426 4.340 -0.011 0.000 0.272 201 L C 0.769 177.323 176.870 -0.526 0.000 1.189 201 L CA -0.186 54.487 54.840 -0.278 0.000 0.846 201 L CB 0.353 42.212 42.059 -0.334 0.000 1.111 201 L HN 0.424 nan 8.230 nan 0.000 0.475 202 N N 2.064 120.397 118.700 -0.612 0.000 2.767 202 N HA 0.094 4.828 4.740 -0.011 0.000 0.238 202 N C 0.429 175.686 175.510 -0.422 0.000 1.083 202 N CA -0.198 52.475 53.050 -0.629 0.000 0.964 202 N CB 0.930 39.152 38.487 -0.441 0.000 1.252 202 N HN 0.460 nan 8.380 nan 0.000 0.512 203 Q N 0.822 120.299 119.800 -0.538 0.000 2.364 203 Q HA -0.085 4.248 4.340 -0.011 0.000 0.207 203 Q C 1.225 177.004 176.000 -0.368 0.000 0.970 203 Q CA 0.904 56.245 55.803 -0.770 0.000 0.888 203 Q CB 0.097 27.709 28.738 -1.875 0.000 0.951 203 Q HN 0.544 nan 8.270 nan 0.000 0.469 204 Q N 0.732 120.456 119.800 -0.126 0.000 2.311 204 Q HA -0.028 4.305 4.340 -0.011 0.000 0.203 204 Q C 0.031 176.071 176.000 0.067 0.000 0.954 204 Q CA 0.312 56.158 55.803 0.071 0.000 0.885 204 Q CB 0.014 28.855 28.738 0.173 0.000 0.963 204 Q HN 0.270 nan 8.270 nan 0.000 0.471 205 N N 0.147 118.852 118.700 0.007 0.000 2.447 205 N HA -0.072 4.662 4.740 -0.011 0.000 0.263 205 N C 0.683 176.229 175.510 0.060 0.000 1.226 205 N CA 0.760 53.832 53.050 0.037 0.000 0.906 205 N CB 1.002 39.510 38.487 0.035 0.000 1.060 205 N HN 0.307 nan 8.380 nan 0.000 0.468 206 S N 2.613 118.364 115.700 0.086 0.000 2.382 206 S HA -0.150 4.313 4.470 -0.011 0.000 0.228 206 S C 1.657 176.314 174.600 0.094 0.000 1.027 206 S CA 1.553 59.813 58.200 0.100 0.000 0.991 206 S CB -0.454 62.802 63.200 0.093 0.000 0.823 206 S HN 0.650 nan 8.310 nan 0.000 0.469 207 T N 2.933 117.541 114.554 0.091 0.000 2.746 207 T HA 0.062 4.405 4.350 -0.011 0.000 0.267 207 T C 1.732 176.433 174.700 0.002 0.000 1.039 207 T CA 1.344 63.480 62.100 0.060 0.000 1.142 207 T CB -0.323 68.606 68.868 0.101 0.000 0.866 207 T HN 0.296 nan 8.240 nan 0.000 0.444 208 I N 1.681 122.219 120.570 -0.052 0.000 2.252 208 I HA -0.095 4.068 4.170 -0.011 0.000 0.245 208 I C 2.405 178.540 176.117 0.029 0.000 1.102 208 I CA 1.316 62.550 61.300 -0.110 0.000 1.385 208 I CB -1.314 36.535 38.000 -0.251 0.000 1.064 208 I HN 0.273 nan 8.210 nan 0.000 0.414 209 D N 0.925 121.377 120.400 0.087 0.000 2.106 209 D HA -0.183 4.450 4.640 -0.011 0.000 0.191 209 D C 2.236 178.690 176.300 0.256 0.000 0.997 209 D CA 1.980 56.155 54.000 0.290 0.000 0.834 209 D CB 0.209 41.216 40.800 0.345 0.000 0.956 209 D HN 0.117 nan 8.370 nan 0.000 0.448 210 S N -1.375 114.429 115.700 0.173 0.000 2.382 210 S HA -0.158 4.305 4.470 -0.011 0.000 0.228 210 S C 1.660 176.341 174.600 0.135 0.000 1.027 210 S CA 0.945 59.226 58.200 0.134 0.000 0.991 210 S CB -0.618 62.644 63.200 0.103 0.000 0.823 210 S HN 0.462 nan 8.310 nan 0.000 0.469 211 Y N 2.280 122.588 120.300 0.014 0.000 2.145 211 Y HA -0.095 4.449 4.550 -0.009 0.000 0.286 211 Y C 1.839 177.770 175.900 0.051 0.000 1.145 211 Y CA 1.347 59.445 58.100 -0.003 0.000 1.148 211 Y CB -0.460 37.946 38.460 -0.090 0.000 0.981 211 Y HN 0.138 nan 8.280 nan 0.000 0.507 212 L N -0.023 121.211 121.223 0.018 0.000 2.093 212 L HA -0.202 4.131 4.340 -0.011 0.000 0.208 212 L C 2.419 179.438 176.870 0.248 0.000 1.085 212 L CA 1.566 56.413 54.840 0.013 0.000 0.755 212 L CB -0.500 41.586 42.059 0.045 0.000 0.904 212 L HN 0.140 nan 8.230 nan 0.000 0.435 213 K N -0.558 120.003 120.400 0.269 0.000 2.026 213 K HA -0.172 4.141 4.320 -0.011 0.000 0.208 213 K C 2.425 178.999 176.600 -0.043 0.000 1.048 213 K CA 1.620 58.004 56.287 0.162 0.000 0.929 213 K CB -0.271 32.285 32.500 0.093 0.000 0.713 213 K HN 0.094 nan 8.250 nan 0.000 0.439 214 S N 0.489 116.147 115.700 -0.070 0.000 2.368 214 S HA -0.147 4.317 4.470 -0.011 0.000 0.225 214 S C 2.035 176.544 174.600 -0.151 0.000 1.030 214 S CA 1.240 59.360 58.200 -0.134 0.000 0.999 214 S CB -0.191 62.955 63.200 -0.090 0.000 0.844 214 S HN 0.374 nan 8.310 nan 0.000 0.459 215 A N 1.044 123.773 122.820 -0.152 0.000 1.873 215 A HA 0.006 4.319 4.320 -0.011 0.000 0.215 215 A C 2.099 179.763 177.584 0.134 0.000 1.186 215 A CA 1.530 53.559 52.037 -0.012 0.000 0.616 215 A CB -0.836 18.160 19.000 -0.008 0.000 0.823 215 A HN 0.573 nan 8.150 nan 0.000 0.442 216 I N -0.120 120.455 120.570 0.008 0.000 2.361 216 I HA -0.179 3.984 4.170 -0.011 0.000 0.251 216 I C 2.054 178.100 176.117 -0.119 0.000 1.133 216 I CA 1.527 62.706 61.300 -0.201 0.000 1.413 216 I CB -0.260 37.484 38.000 -0.427 0.000 1.073 216 I HN 0.251 nan 8.210 nan 0.000 0.424 217 K N -0.598 119.676 120.400 -0.211 0.000 2.148 217 K HA -0.093 4.220 4.320 -0.011 0.000 0.204 217 K C 2.041 178.538 176.600 -0.172 0.000 1.050 217 K CA 1.312 57.411 56.287 -0.314 0.000 0.942 217 K CB -0.180 31.915 32.500 -0.674 0.000 0.724 217 K HN 0.227 nan 8.250 nan 0.000 0.446 218 V N 0.146 119.938 119.914 -0.204 0.000 2.287 218 V HA -0.252 3.861 4.120 -0.011 0.000 0.248 218 V C 1.730 177.585 176.094 -0.399 0.000 1.053 218 V CA 1.875 63.961 62.300 -0.357 0.000 1.027 218 V CB -0.511 31.021 31.823 -0.485 0.000 0.646 218 V HN 0.431 nan 8.190 nan 0.000 0.447 219 W N -0.584 120.695 121.300 -0.035 0.000 2.453 219 W HA 0.061 4.714 4.660 -0.012 0.000 0.289 219 W C 2.272 178.817 176.519 0.043 0.000 1.215 219 W CA 0.340 57.679 57.345 -0.010 0.000 1.297 219 W CB -0.531 28.904 29.460 -0.040 0.000 1.113 219 W HN 0.130 nan 8.180 nan 0.000 0.551 220 L N 0.132 121.470 121.223 0.192 0.000 2.079 220 L HA -0.231 4.102 4.340 -0.011 0.000 0.210 220 L C 1.759 178.731 176.870 0.171 0.000 1.081 220 L CA 1.218 56.169 54.840 0.186 0.000 0.752 220 L CB -0.672 41.514 42.059 0.211 0.000 0.896 220 L HN -0.085 nan 8.230 nan 0.000 0.433 221 D N -0.680 119.793 120.400 0.122 0.000 2.312 221 D HA -0.097 4.536 4.640 -0.011 0.000 0.211 221 D C 2.066 178.389 176.300 0.037 0.000 0.964 221 D CA 0.808 54.848 54.000 0.067 0.000 0.877 221 D CB 0.086 40.895 40.800 0.015 0.000 0.924 221 D HN 0.225 nan 8.370 nan 0.000 0.515 222 M N -0.876 118.767 119.600 0.072 0.000 2.595 222 M HA 0.155 4.628 4.480 -0.011 0.000 0.248 222 M C 1.189 177.650 176.300 0.268 0.000 1.119 222 M CA 0.400 55.809 55.300 0.181 0.000 1.079 222 M CB -0.260 32.519 32.600 0.299 0.000 1.472 222 M HN 0.116 nan 8.290 nan 0.000 0.501 223 G N 2.084 111.023 108.800 0.231 0.000 2.130 223 G HA2 -0.193 3.760 3.960 -0.011 0.000 0.216 223 G HA3 -0.193 3.760 3.960 -0.011 0.000 0.216 223 G C 0.240 175.301 174.900 0.268 0.000 0.999 223 G CA 0.200 45.433 45.100 0.221 0.000 0.686 223 G HN 0.603 nan 8.290 nan 0.000 0.515 224 I N -2.498 118.260 120.570 0.313 0.000 2.948 224 I HA 0.391 4.555 4.170 -0.011 0.000 0.290 224 I C 0.521 176.792 176.117 0.256 0.000 1.226 224 I CA 0.238 61.719 61.300 0.302 0.000 1.413 224 I CB 0.562 38.763 38.000 0.335 0.000 1.352 224 I HN -0.061 nan 8.210 nan 0.000 0.597 225 D N 3.313 123.878 120.400 0.275 0.000 2.433 225 D HA 0.303 4.936 4.640 -0.011 0.000 0.211 225 D C 0.526 177.036 176.300 0.348 0.000 1.114 225 D CA 0.289 54.467 54.000 0.296 0.000 0.837 225 D CB 1.251 42.245 40.800 0.324 0.000 0.984 225 D HN 0.872 nan 8.370 nan 0.000 0.505 226 G N 0.433 109.382 108.800 0.249 0.000 2.489 226 G HA2 0.519 4.472 3.960 -0.011 0.000 0.291 226 G HA3 0.519 4.472 3.960 -0.011 0.000 0.291 226 G C -1.829 173.091 174.900 0.032 0.000 1.487 226 G CA -0.727 44.465 45.100 0.154 0.000 0.795 226 G HN 0.000 nan 8.290 nan 0.000 0.513 227 I N 0.591 121.095 120.570 -0.109 0.000 2.533 227 I HA 0.512 4.675 4.170 -0.011 0.000 0.290 227 I C -0.285 175.501 176.117 -0.552 0.000 1.056 227 I CA -0.960 60.215 61.300 -0.209 0.000 1.057 227 I CB 2.416 40.329 38.000 -0.145 0.000 1.240 227 I HN 0.281 nan 8.210 nan 0.000 0.423 228 R N 6.937 127.041 120.500 -0.659 0.000 2.246 228 R HA 0.522 4.855 4.340 -0.011 0.000 0.332 228 R C -1.490 174.610 176.300 -0.333 0.000 0.974 228 R CA -0.650 54.836 56.100 -1.024 0.000 0.837 228 R CB 0.858 30.361 30.300 -1.329 0.000 1.145 228 R HN 0.658 nan 8.270 nan 0.000 0.467 229 L N 3.814 124.919 121.223 -0.197 0.000 2.281 229 L HA 0.185 4.518 4.340 -0.011 0.000 0.285 229 L C 0.426 177.373 176.870 0.129 0.000 1.074 229 L CA -0.480 54.409 54.840 0.082 0.000 0.817 229 L CB 1.136 43.309 42.059 0.190 0.000 1.168 229 L HN 0.548 nan 8.230 nan 0.000 0.434 230 D N 3.348 123.857 120.400 0.181 0.000 2.302 230 D HA 0.405 5.038 4.640 -0.011 0.000 0.248 230 D C 0.553 177.003 176.300 0.250 0.000 1.094 230 D CA 0.425 54.578 54.000 0.255 0.000 0.897 230 D CB 1.107 42.102 40.800 0.325 0.000 1.200 230 D HN 0.743 nan 8.370 nan 0.000 0.429 231 A N 2.341 125.341 122.820 0.299 0.000 2.739 231 A HA -0.166 4.148 4.320 -0.011 0.000 0.296 231 A C 1.384 179.078 177.584 0.184 0.000 1.488 231 A CA 0.924 53.151 52.037 0.317 0.000 0.746 231 A CB -2.461 16.767 19.000 0.381 0.000 1.047 231 A HN 1.147 nan 8.150 nan 0.000 0.477 232 V N -2.085 117.881 119.914 0.085 0.000 2.970 232 V HA -0.031 4.082 4.120 -0.011 0.000 0.260 232 V C 1.817 177.783 176.094 -0.213 0.000 1.100 232 V CA 2.394 64.696 62.300 0.003 0.000 1.122 232 V CB -0.510 31.278 31.823 -0.059 0.000 0.721 232 V HN 0.656 nan 8.190 nan 0.000 0.483 233 K N -0.653 119.417 120.400 -0.551 0.000 2.439 233 K HA -0.066 4.247 4.320 -0.011 0.000 0.197 233 K C 1.426 177.637 176.600 -0.648 0.000 1.041 233 K CA 0.921 56.579 56.287 -1.048 0.000 0.970 233 K CB -0.094 31.343 32.500 -1.772 0.000 0.773 233 K HN 0.694 nan 8.250 nan 0.000 0.479 234 H N -0.842 118.165 119.070 -0.104 0.000 2.592 234 H HA 0.245 4.794 4.556 -0.011 0.000 0.279 234 H C -0.158 175.121 175.328 -0.081 0.000 1.089 234 H CA 0.044 56.045 56.048 -0.078 0.000 1.150 234 H CB 0.331 30.074 29.762 -0.032 0.000 1.575 234 H HN 0.123 nan 8.280 nan 0.000 0.547 235 M N 0.713 120.341 119.600 0.047 0.000 2.591 235 M HA 0.376 4.850 4.480 -0.011 0.000 0.306 235 M C -2.611 173.758 176.300 0.114 0.000 1.190 235 M CA -1.937 53.389 55.300 0.044 0.000 0.889 235 M CB 2.730 35.417 32.600 0.145 0.000 1.728 235 M HN -0.219 nan 8.290 nan 0.000 0.458 236 P HA 0.012 nan 4.420 nan 0.000 0.268 236 P C 0.025 177.547 177.300 0.369 0.000 1.204 236 P CA -0.011 63.182 63.100 0.155 0.000 0.768 236 P CB 0.307 32.099 31.700 0.153 0.000 0.842 237 F N 4.040 124.181 119.950 0.317 0.000 2.091 237 F HA -0.215 4.305 4.527 -0.011 0.000 0.299 237 F C 2.155 178.102 175.800 0.244 0.000 1.103 237 F CA 2.613 60.864 58.000 0.418 0.000 1.228 237 F CB -0.956 38.340 39.000 0.493 0.000 0.984 237 F HN 0.379 nan 8.300 nan 0.000 0.477 238 G N -0.816 108.159 108.800 0.292 0.000 2.440 238 G HA2 -0.365 3.588 3.960 -0.011 0.000 0.218 238 G HA3 -0.365 3.588 3.960 -0.011 0.000 0.218 238 G C 1.421 176.363 174.900 0.069 0.000 1.154 238 G CA 0.764 45.963 45.100 0.165 0.000 0.767 238 G HN 0.649 nan 8.290 nan 0.000 0.552 239 W N 1.265 122.588 121.300 0.038 0.000 2.358 239 W HA -0.055 4.598 4.660 -0.010 0.000 0.303 239 W C 2.795 179.333 176.519 0.033 0.000 1.208 239 W CA 1.686 59.056 57.345 0.043 0.000 1.274 239 W CB -0.061 29.422 29.460 0.039 0.000 1.138 239 W HN 0.290 nan 8.180 nan 0.000 0.515 240 Q N 0.086 119.869 119.800 -0.028 0.000 2.119 240 Q HA -0.218 4.115 4.340 -0.011 0.000 0.201 240 Q C 2.202 177.998 176.000 -0.340 0.000 0.972 240 Q CA 1.644 57.354 55.803 -0.156 0.000 0.847 240 Q CB -0.412 28.448 28.738 0.202 0.000 0.903 240 Q HN 0.324 nan 8.270 nan 0.000 0.433 241 K N 1.276 121.372 120.400 -0.507 0.000 2.057 241 K HA -0.240 4.073 4.320 -0.011 0.000 0.207 241 K C 1.781 178.188 176.600 -0.321 0.000 1.049 241 K CA 1.712 57.708 56.287 -0.485 0.000 0.931 241 K CB -0.086 32.057 32.500 -0.594 0.000 0.714 241 K HN 0.120 nan 8.250 nan 0.000 0.440 242 N N -0.143 118.369 118.700 -0.312 0.000 2.120 242 N HA -0.223 4.510 4.740 -0.011 0.000 0.188 242 N C 1.707 177.018 175.510 -0.332 0.000 1.024 242 N CA 1.394 54.282 53.050 -0.270 0.000 0.852 242 N CB -0.349 38.001 38.487 -0.227 0.000 1.003 242 N HN 0.222 nan 8.380 nan 0.000 0.424 243 F N 0.716 120.218 119.950 -0.747 0.000 2.102 243 F HA -0.023 4.498 4.527 -0.011 0.000 0.298 243 F C 2.113 177.672 175.800 -0.402 0.000 1.105 243 F CA 1.247 58.815 58.000 -0.721 0.000 1.239 243 F CB -0.304 37.977 39.000 -1.198 0.000 0.991 243 F HN 0.055 nan 8.300 nan 0.000 0.474 244 M N 0.094 119.464 119.600 -0.384 0.000 2.108 244 M HA -0.231 4.242 4.480 -0.011 0.000 0.261 244 M C 1.989 178.106 176.300 -0.306 0.000 1.066 244 M CA 1.882 56.967 55.300 -0.360 0.000 1.107 244 M CB -1.543 30.906 32.600 -0.251 0.000 1.356 244 M HN 0.199 nan 8.290 nan 0.000 0.406 245 D N 0.309 120.560 120.400 -0.249 0.000 2.144 245 D HA -0.129 4.504 4.640 -0.011 0.000 0.199 245 D C 2.027 178.221 176.300 -0.177 0.000 0.984 245 D CA 1.861 55.755 54.000 -0.176 0.000 0.834 245 D CB 0.123 40.845 40.800 -0.131 0.000 0.955 245 D HN 0.414 nan 8.370 nan 0.000 0.465 246 S N -0.472 115.086 115.700 -0.236 0.000 2.368 246 S HA -0.159 4.304 4.470 -0.011 0.000 0.225 246 S C 2.236 176.698 174.600 -0.230 0.000 1.030 246 S CA 0.914 58.984 58.200 -0.216 0.000 0.999 246 S CB -0.716 62.343 63.200 -0.236 0.000 0.844 246 S HN 0.376 nan 8.310 nan 0.000 0.459 247 I N 1.493 121.846 120.570 -0.361 0.000 2.142 247 I HA -0.137 4.026 4.170 -0.011 0.000 0.240 247 I C 2.464 178.510 176.117 -0.118 0.000 1.078 247 I CA 1.370 62.498 61.300 -0.286 0.000 1.343 247 I CB -0.392 37.357 38.000 -0.418 0.000 1.046 247 I HN 0.277 nan 8.210 nan 0.000 0.405 248 L N -0.300 120.841 121.223 -0.137 0.000 2.141 248 L HA -0.146 4.188 4.340 -0.011 0.000 0.209 248 L C 2.514 179.357 176.870 -0.046 0.000 1.094 248 L CA 0.926 55.717 54.840 -0.081 0.000 0.763 248 L CB -0.542 41.461 42.059 -0.093 0.000 0.908 248 L HN 0.166 nan 8.230 nan 0.000 0.437 249 S N -1.414 114.261 115.700 -0.040 0.000 2.453 249 S HA -0.146 4.317 4.470 -0.011 0.000 0.231 249 S C 1.672 176.292 174.600 0.034 0.000 1.005 249 S CA 0.808 59.001 58.200 -0.012 0.000 0.949 249 S CB -0.166 63.025 63.200 -0.015 0.000 0.774 249 S HN 0.391 nan 8.310 nan 0.000 0.510 250 Y N 1.553 121.796 120.300 -0.094 0.000 2.205 250 Y HA 0.322 4.866 4.550 -0.010 0.000 0.292 250 Y C 0.958 176.819 175.900 -0.064 0.000 1.119 250 Y CA 0.562 58.614 58.100 -0.081 0.000 1.117 250 Y CB 0.358 38.759 38.460 -0.099 0.000 1.037 250 Y HN -0.019 nan 8.280 nan 0.000 0.510 251 R N 0.925 121.419 120.500 -0.010 0.000 2.745 251 R HA 0.257 4.590 4.340 -0.011 0.000 0.290 251 R C -3.134 173.162 176.300 -0.006 0.000 1.260 251 R CA -1.890 54.167 56.100 -0.071 0.000 1.045 251 R CB 1.318 31.551 30.300 -0.112 0.000 1.257 251 R HN -0.023 nan 8.270 nan 0.000 0.400 252 P HA 0.075 nan 4.420 nan 0.000 0.271 252 P C -0.536 176.786 177.300 0.037 0.000 1.220 252 P CA -0.141 62.957 63.100 -0.003 0.000 0.768 252 P CB 1.357 33.054 31.700 -0.005 0.000 0.848 253 V N 0.896 120.839 119.914 0.048 0.000 3.040 253 V HA 0.522 4.635 4.120 -0.011 0.000 0.312 253 V C -0.413 175.768 176.094 0.145 0.000 1.115 253 V CA -1.435 60.940 62.300 0.124 0.000 0.998 253 V CB 1.747 33.643 31.823 0.122 0.000 1.042 253 V HN 0.318 nan 8.190 nan 0.000 0.433 254 F N 2.348 122.348 119.950 0.084 0.000 2.578 254 F HA 0.550 5.070 4.527 -0.011 0.000 0.381 254 F C 0.433 176.222 175.800 -0.018 0.000 1.069 254 F CA 0.984 58.999 58.000 0.025 0.000 1.231 254 F CB 0.334 39.306 39.000 -0.047 0.000 1.086 254 F HN 0.782 nan 8.300 nan 0.000 0.564 255 T N 8.036 122.270 114.554 -0.532 0.000 2.886 255 T HA 0.581 4.925 4.350 -0.011 0.000 0.292 255 T C -1.239 173.193 174.700 -0.446 0.000 1.012 255 T CA -0.319 61.540 62.100 -0.402 0.000 0.982 255 T CB 0.970 69.699 68.868 -0.232 0.000 1.018 255 T HN 0.401 nan 8.240 nan 0.000 0.451 256 F N -0.326 119.340 119.950 -0.472 0.000 2.578 256 F HA 0.881 5.402 4.527 -0.011 0.000 0.311 256 F C 0.032 175.785 175.800 -0.078 0.000 1.094 256 F CA -1.467 56.349 58.000 -0.306 0.000 0.923 256 F CB 0.965 39.750 39.000 -0.358 0.000 1.230 256 F HN 0.690 nan 8.300 nan 0.000 0.450 257 G N 0.650 109.564 108.800 0.190 0.000 2.434 257 G HA2 0.476 4.430 3.960 -0.011 0.000 0.330 257 G HA3 0.476 4.430 3.960 -0.011 0.000 0.330 257 G C -1.697 173.379 174.900 0.292 0.000 1.155 257 G CA -0.833 44.389 45.100 0.204 0.000 0.917 257 G HN 0.905 nan 8.290 nan 0.000 0.493 258 E N 0.622 120.997 120.200 0.292 0.000 2.081 258 E HA 0.189 4.532 4.350 -0.011 0.000 0.276 258 E C -1.237 175.591 176.600 0.380 0.000 0.950 258 E CA -0.857 55.805 56.400 0.437 0.000 0.776 258 E CB 0.830 30.801 29.700 0.452 0.000 1.094 258 E HN 0.466 nan 8.360 nan 0.000 0.402 259 W N 8.272 129.693 121.300 0.201 0.000 2.413 259 W HA 0.245 4.899 4.660 -0.011 0.000 0.308 259 W C -1.619 174.819 176.519 -0.135 0.000 0.997 259 W CA -1.536 55.827 57.345 0.030 0.000 1.447 259 W CB 0.236 29.680 29.460 -0.027 0.000 1.263 259 W HN 0.490 nan 8.180 nan 0.000 0.416 260 F N 6.064 125.857 119.950 -0.262 0.000 2.572 260 F HA 0.279 4.799 4.527 -0.011 0.000 0.370 260 F C -0.604 175.008 175.800 -0.312 0.000 1.103 260 F CA 0.809 58.313 58.000 -0.827 0.000 1.286 260 F CB 0.622 39.319 39.000 -0.504 0.000 1.105 260 F HN 0.174 nan 8.300 nan 0.000 0.583 261 L N 6.003 126.503 121.223 -1.205 0.000 2.386 261 L HA 0.540 4.873 4.340 -0.011 0.000 0.271 261 L C 0.481 176.796 176.870 -0.925 0.000 0.993 261 L CA -0.901 53.588 54.840 -0.585 0.000 0.819 261 L CB 1.727 43.730 42.059 -0.094 0.000 1.294 261 L HN 0.786 nan 8.230 nan 0.000 0.414 262 G N 0.633 109.203 108.800 -0.382 0.000 2.588 262 G HA2 0.341 4.294 3.960 -0.011 0.000 0.281 262 G HA3 0.341 4.294 3.960 -0.011 0.000 0.281 262 G C -0.276 174.608 174.900 -0.026 0.000 1.236 262 G CA -0.367 44.670 45.100 -0.105 0.000 0.969 262 G HN 0.475 nan 8.290 nan 0.000 0.504 263 T N 1.651 116.232 114.554 0.045 0.000 2.905 263 T HA 0.044 4.387 4.350 -0.011 0.000 0.299 263 T C 0.832 175.549 174.700 0.029 0.000 1.024 263 T CA 0.709 62.832 62.100 0.038 0.000 1.151 263 T CB 0.149 69.045 68.868 0.047 0.000 0.987 263 T HN 0.643 nan 8.240 nan 0.000 0.535 264 N N 0.384 119.096 118.700 0.020 0.000 2.815 264 N HA -0.177 4.556 4.740 -0.011 0.000 0.247 264 N C 0.143 175.666 175.510 0.022 0.000 1.030 264 N CA 1.109 54.169 53.050 0.016 0.000 0.881 264 N CB -0.850 37.645 38.487 0.013 0.000 1.134 264 N HN 0.880 nan 8.380 nan 0.000 0.582 265 E N 0.666 120.881 120.200 0.026 0.000 2.344 265 E HA 0.259 4.603 4.350 -0.011 0.000 0.270 265 E C -0.111 176.507 176.600 0.030 0.000 1.021 265 E CA 0.005 56.425 56.400 0.035 0.000 0.887 265 E CB 0.473 30.198 29.700 0.040 0.000 0.997 265 E HN 0.213 nan 8.360 nan 0.000 0.429 266 I N 4.143 124.731 120.570 0.029 0.000 2.378 266 I HA 0.247 4.410 4.170 -0.011 0.000 0.291 266 I C -0.581 175.548 176.117 0.020 0.000 0.992 266 I CA -0.498 60.809 61.300 0.012 0.000 1.154 266 I CB 1.556 39.558 38.000 0.003 0.000 1.315 266 I HN 0.455 nan 8.210 nan 0.000 0.448 267 D N 5.191 125.586 120.400 -0.007 0.000 2.470 267 D HA 0.131 4.764 4.640 -0.011 0.000 0.233 267 D C 0.586 176.832 176.300 -0.090 0.000 1.372 267 D CA -0.407 53.586 54.000 -0.011 0.000 0.994 267 D CB 2.048 42.891 40.800 0.070 0.000 1.377 267 D HN 0.316 nan 8.370 nan 0.000 0.586 268 V N 2.104 121.979 119.914 -0.066 0.000 2.594 268 V HA -0.120 3.993 4.120 -0.011 0.000 0.253 268 V C 1.563 177.602 176.094 -0.091 0.000 1.069 268 V CA 1.139 63.392 62.300 -0.077 0.000 1.082 268 V CB -0.435 31.361 31.823 -0.044 0.000 0.680 268 V HN 0.375 nan 8.190 nan 0.000 0.469 269 N N 1.667 120.292 118.700 -0.126 0.000 2.244 269 N HA -0.165 4.568 4.740 -0.011 0.000 0.183 269 N C 1.884 177.102 175.510 -0.486 0.000 1.016 269 N CA 1.630 54.579 53.050 -0.169 0.000 0.866 269 N CB -0.713 37.675 38.487 -0.166 0.000 0.980 269 N HN 0.742 nan 8.380 nan 0.000 0.430 270 N N 1.081 119.293 118.700 -0.813 0.000 2.106 270 N HA -0.094 4.639 4.740 -0.011 0.000 0.188 270 N C 1.133 176.473 175.510 -0.285 0.000 1.029 270 N CA 1.370 53.747 53.050 -1.121 0.000 0.848 270 N CB -0.132 37.750 38.487 -1.009 0.000 1.007 270 N HN 0.060 nan 8.380 nan 0.000 0.423 271 T N 0.220 114.679 114.554 -0.158 0.000 2.652 271 T HA -0.177 4.167 4.350 -0.011 0.000 0.267 271 T C 1.659 176.400 174.700 0.068 0.000 1.039 271 T CA 1.462 63.523 62.100 -0.065 0.000 1.153 271 T CB -0.735 68.014 68.868 -0.198 0.000 0.863 271 T HN 0.377 nan 8.240 nan 0.000 0.428 272 Y N 0.893 121.155 120.300 -0.063 0.000 2.128 272 Y HA -0.210 4.333 4.550 -0.011 0.000 0.284 272 Y C 2.096 178.048 175.900 0.085 0.000 1.154 272 Y CA 1.321 59.401 58.100 -0.033 0.000 1.149 272 Y CB -0.579 37.821 38.460 -0.099 0.000 0.976 272 Y HN 0.198 nan 8.280 nan 0.000 0.505 273 F N 0.408 120.436 119.950 0.130 0.000 2.095 273 F HA -0.230 4.290 4.527 -0.012 0.000 0.298 273 F C 2.407 178.344 175.800 0.229 0.000 1.104 273 F CA 1.889 60.068 58.000 0.299 0.000 1.232 273 F CB -0.857 38.323 39.000 0.299 0.000 0.987 273 F HN 0.109 nan 8.300 nan 0.000 0.475 274 A N -0.102 122.968 122.820 0.417 0.000 1.972 274 A HA -0.187 4.127 4.320 -0.011 0.000 0.219 274 A C 1.903 179.646 177.584 0.265 0.000 1.169 274 A CA 1.870 54.121 52.037 0.356 0.000 0.635 274 A CB -0.712 18.519 19.000 0.385 0.000 0.810 274 A HN 0.492 nan 8.150 nan 0.000 0.446 275 N N -0.627 118.164 118.700 0.151 0.000 2.415 275 N HA -0.008 4.725 4.740 -0.011 0.000 0.176 275 N C 1.039 176.578 175.510 0.048 0.000 1.042 275 N CA 0.892 53.990 53.050 0.080 0.000 0.902 275 N CB 0.149 38.603 38.487 -0.054 0.000 0.986 275 N HN 0.514 nan 8.380 nan 0.000 0.447 276 E N -0.903 119.250 120.200 -0.079 0.000 2.536 276 E HA 0.115 4.458 4.350 -0.011 0.000 0.220 276 E C 1.368 178.006 176.600 0.064 0.000 0.876 276 E CA 0.184 56.535 56.400 -0.081 0.000 1.190 276 E CB 0.236 29.619 29.700 -0.529 0.000 1.191 276 E HN 0.247 nan 8.360 nan 0.000 0.557 277 S N -0.117 115.537 115.700 -0.076 0.000 2.461 277 S HA 0.092 4.555 4.470 -0.011 0.000 0.228 277 S C 1.746 176.161 174.600 -0.308 0.000 1.005 277 S CA 1.048 58.975 58.200 -0.455 0.000 0.942 277 S CB 0.130 62.726 63.200 -1.006 0.000 0.776 277 S HN 0.277 nan 8.310 nan 0.000 0.514 278 G N 1.343 110.051 108.800 -0.153 0.000 2.175 278 G HA2 -0.252 3.702 3.960 -0.011 0.000 0.244 278 G HA3 -0.252 3.702 3.960 -0.011 0.000 0.244 278 G C -0.043 174.779 174.900 -0.130 0.000 0.982 278 G CA 0.313 45.334 45.100 -0.132 0.000 0.641 278 G HN 0.924 nan 8.290 nan 0.000 0.527 279 M N -0.277 119.262 119.600 -0.102 0.000 2.716 279 M HA 0.873 5.346 4.480 -0.011 0.000 0.307 279 M C 0.138 176.459 176.300 0.035 0.000 1.223 279 M CA -0.712 54.552 55.300 -0.060 0.000 0.871 279 M CB 1.923 34.527 32.600 0.006 0.000 1.739 279 M HN 0.033 nan 8.290 nan 0.000 0.475 280 S N 0.938 116.625 115.700 -0.022 0.000 2.694 280 S HA 0.783 5.246 4.470 -0.011 0.000 0.278 280 S C -0.446 174.268 174.600 0.189 0.000 1.152 280 S CA -0.874 57.367 58.200 0.067 0.000 1.010 280 S CB 0.927 64.102 63.200 -0.042 0.000 1.104 280 S HN 0.627 nan 8.310 nan 0.000 0.547 281 L N 0.725 122.049 121.223 0.168 0.000 2.388 281 L HA 0.478 4.811 4.340 -0.011 0.000 0.264 281 L C -0.941 176.061 176.870 0.221 0.000 0.998 281 L CA -0.836 54.153 54.840 0.248 0.000 0.817 281 L CB 1.435 43.639 42.059 0.242 0.000 1.338 281 L HN 0.462 nan 8.230 nan 0.000 0.414 282 L N 2.065 123.506 121.223 0.363 0.000 2.540 282 L HA -0.024 4.309 4.340 -0.011 0.000 0.276 282 L C 0.235 177.329 176.870 0.374 0.000 1.212 282 L CA 0.287 55.343 54.840 0.359 0.000 0.893 282 L CB 0.069 42.364 42.059 0.393 0.000 1.138 282 L HN 0.519 nan 8.230 nan 0.000 0.491 283 D N 3.179 123.732 120.400 0.255 0.000 2.517 283 D HA 0.074 4.707 4.640 -0.011 0.000 0.220 283 D C 0.768 177.109 176.300 0.068 0.000 1.158 283 D CA -0.032 54.043 54.000 0.124 0.000 0.992 283 D CB 0.293 41.075 40.800 -0.030 0.000 1.058 283 D HN 0.265 nan 8.370 nan 0.000 0.516 284 F N 1.389 121.466 119.950 0.212 0.000 2.234 284 F HA 0.003 4.523 4.527 -0.011 0.000 0.299 284 F C 2.363 178.185 175.800 0.036 0.000 1.087 284 F CA 0.615 58.677 58.000 0.104 0.000 1.340 284 F CB 0.075 39.111 39.000 0.060 0.000 1.031 284 F HN 0.209 nan 8.300 nan 0.000 0.500 285 R N -0.793 119.863 120.500 0.261 0.000 2.081 285 R HA -0.190 4.144 4.340 -0.011 0.000 0.235 285 R C 2.139 178.533 176.300 0.155 0.000 1.131 285 R CA 1.787 58.000 56.100 0.188 0.000 0.960 285 R CB -0.765 29.669 30.300 0.222 0.000 0.856 285 R HN 0.255 nan 8.270 nan 0.000 0.436 286 F N 0.850 120.810 119.950 0.017 0.000 2.075 286 F HA -0.225 4.295 4.527 -0.011 0.000 0.297 286 F C 2.647 178.395 175.800 -0.087 0.000 1.113 286 F CA 1.890 59.885 58.000 -0.008 0.000 1.218 286 F CB -0.590 38.386 39.000 -0.039 0.000 0.984 286 F HN -0.083 nan 8.300 nan 0.000 0.472 287 S N -0.370 115.317 115.700 -0.022 0.000 2.356 287 S HA -0.219 4.245 4.470 -0.011 0.000 0.223 287 S C 2.052 176.605 174.600 -0.079 0.000 1.032 287 S CA 1.488 59.527 58.200 -0.269 0.000 1.005 287 S CB -0.425 62.125 63.200 -1.084 0.000 0.867 287 S HN 0.499 nan 8.310 nan 0.000 0.449 288 Q N 0.571 120.361 119.800 -0.017 0.000 2.124 288 Q HA -0.071 4.263 4.340 -0.011 0.000 0.202 288 Q C 2.191 178.197 176.000 0.010 0.000 0.977 288 Q CA 1.274 57.101 55.803 0.040 0.000 0.850 288 Q CB -0.460 28.314 28.738 0.061 0.000 0.901 288 Q HN 0.394 nan 8.270 nan 0.000 0.429 289 K N 0.717 121.097 120.400 -0.034 0.000 2.057 289 K HA -0.057 4.257 4.320 -0.011 0.000 0.206 289 K C 2.000 178.548 176.600 -0.087 0.000 1.050 289 K CA 0.717 56.957 56.287 -0.078 0.000 0.935 289 K CB -0.389 32.041 32.500 -0.116 0.000 0.715 289 K HN -0.023 nan 8.250 nan 0.000 0.439 290 V N 1.128 120.989 119.914 -0.089 0.000 2.332 290 V HA -0.263 3.851 4.120 -0.011 0.000 0.248 290 V C 2.306 178.577 176.094 0.295 0.000 1.055 290 V CA 2.114 64.461 62.300 0.078 0.000 1.038 290 V CB -0.426 31.417 31.823 0.034 0.000 0.651 290 V HN 0.321 nan 8.190 nan 0.000 0.450 291 R N -0.529 120.107 120.500 0.226 0.000 2.075 291 R HA -0.158 4.175 4.340 -0.011 0.000 0.232 291 R C 2.410 178.739 176.300 0.048 0.000 1.126 291 R CA 1.449 57.655 56.100 0.176 0.000 0.963 291 R CB -0.350 30.011 30.300 0.100 0.000 0.858 291 R HN 0.590 nan 8.270 nan 0.000 0.435 292 Q N 0.019 119.826 119.800 0.012 0.000 2.135 292 Q HA -0.138 4.195 4.340 -0.011 0.000 0.204 292 Q C 2.075 178.031 176.000 -0.074 0.000 0.981 292 Q CA 1.500 57.282 55.803 -0.035 0.000 0.856 292 Q CB 0.117 28.826 28.738 -0.048 0.000 0.902 292 Q HN 0.209 nan 8.270 nan 0.000 0.425 293 V N -0.975 118.869 119.914 -0.116 0.000 2.575 293 V HA -0.094 4.019 4.120 -0.011 0.000 0.242 293 V C 1.348 177.230 176.094 -0.353 0.000 1.045 293 V CA 1.278 63.394 62.300 -0.306 0.000 1.065 293 V CB -0.170 31.339 31.823 -0.523 0.000 0.717 293 V HN 0.220 nan 8.190 nan 0.000 0.467 294 F N -0.518 119.453 119.950 0.034 0.000 2.582 294 F HA 0.255 4.775 4.527 -0.011 0.000 0.290 294 F C 2.358 178.241 175.800 0.139 0.000 1.115 294 F CA 0.719 58.804 58.000 0.142 0.000 1.445 294 F CB 0.039 39.209 39.000 0.284 0.000 1.126 294 F HN -0.104 nan 8.300 nan 0.000 0.574 295 R N -0.066 120.519 120.500 0.142 0.000 2.119 295 R HA 0.046 4.379 4.340 -0.011 0.000 0.202 295 R C 0.732 176.962 176.300 -0.118 0.000 1.114 295 R CA 0.988 56.982 56.100 -0.177 0.000 1.089 295 R CB 0.137 29.989 30.300 -0.747 0.000 1.000 295 R HN 0.011 nan 8.270 nan 0.000 0.487 296 D N 0.056 120.400 120.400 -0.093 0.000 2.398 296 D HA 0.014 4.647 4.640 -0.011 0.000 0.210 296 D C -0.355 175.915 176.300 -0.049 0.000 1.094 296 D CA 0.072 54.028 54.000 -0.075 0.000 0.839 296 D CB 0.207 40.966 40.800 -0.069 0.000 0.963 296 D HN 0.148 nan 8.370 nan 0.000 0.506 297 N N 0.893 119.565 118.700 -0.047 0.000 2.725 297 N HA -0.184 4.550 4.740 -0.011 0.000 0.251 297 N C 0.349 175.833 175.510 -0.043 0.000 1.031 297 N CA 1.194 54.217 53.050 -0.045 0.000 0.720 297 N CB -1.392 37.078 38.487 -0.029 0.000 0.930 297 N HN 0.269 nan 8.380 nan 0.000 0.543 298 T N -4.524 110.000 114.554 -0.049 0.000 3.040 298 T HA 0.330 4.673 4.350 -0.011 0.000 0.266 298 T C 0.053 174.724 174.700 -0.049 0.000 1.005 298 T CA -0.055 62.021 62.100 -0.040 0.000 0.906 298 T CB 0.737 69.588 68.868 -0.028 0.000 1.082 298 T HN 0.201 nan 8.240 nan 0.000 0.531 299 D N 0.974 121.331 120.400 -0.073 0.000 2.615 299 D HA 0.484 5.117 4.640 -0.011 0.000 0.267 299 D C -0.554 175.676 176.300 -0.117 0.000 1.236 299 D CA -0.138 53.813 54.000 -0.082 0.000 0.839 299 D CB 2.212 42.959 40.800 -0.088 0.000 1.380 299 D HN 0.254 nan 8.370 nan 0.000 0.433 300 T N -1.632 112.861 114.554 -0.101 0.000 2.922 300 T HA 0.290 4.634 4.350 -0.011 0.000 0.281 300 T C 1.572 176.141 174.700 -0.219 0.000 1.005 300 T CA -0.619 61.411 62.100 -0.118 0.000 0.982 300 T CB 0.662 69.540 68.868 0.016 0.000 1.158 300 T HN 0.235 nan 8.240 nan 0.000 0.566 301 M N -0.442 118.982 119.600 -0.293 0.000 2.267 301 M HA -0.004 4.469 4.480 -0.011 0.000 0.263 301 M C 1.877 177.881 176.300 -0.494 0.000 1.063 301 M CA 1.472 56.496 55.300 -0.460 0.000 1.090 301 M CB -1.569 30.774 32.600 -0.428 0.000 1.392 301 M HN 0.733 nan 8.290 nan 0.000 0.422 302 Y N 0.128 120.278 120.300 -0.250 0.000 2.224 302 Y HA -0.118 4.425 4.550 -0.011 0.000 0.289 302 Y C 2.622 178.396 175.900 -0.209 0.000 1.146 302 Y CA 1.597 59.573 58.100 -0.206 0.000 1.182 302 Y CB -1.219 37.157 38.460 -0.139 0.000 0.983 302 Y HN 0.316 nan 8.280 nan 0.000 0.524 303 G N -0.600 108.166 108.800 -0.057 0.000 2.422 303 G HA2 -0.218 3.736 3.960 -0.011 0.000 0.218 303 G HA3 -0.218 3.736 3.960 -0.011 0.000 0.218 303 G C 1.616 176.414 174.900 -0.170 0.000 1.140 303 G CA 0.788 45.832 45.100 -0.094 0.000 0.775 303 G HN 0.313 nan 8.290 nan 0.000 0.545 304 L N 0.973 122.015 121.223 -0.301 0.000 2.017 304 L HA 0.010 4.344 4.340 -0.011 0.000 0.208 304 L C 2.285 178.946 176.870 -0.348 0.000 1.073 304 L CA 2.497 57.106 54.840 -0.385 0.000 0.745 304 L CB -0.587 41.112 42.059 -0.599 0.000 0.894 304 L HN 0.268 nan 8.230 nan 0.000 0.432 305 D N -1.791 118.305 120.400 -0.506 0.000 2.144 305 D HA -0.212 4.421 4.640 -0.011 0.000 0.199 305 D C 2.337 178.606 176.300 -0.051 0.000 0.984 305 D CA 1.296 55.131 54.000 -0.274 0.000 0.834 305 D CB -0.010 40.636 40.800 -0.257 0.000 0.955 305 D HN 0.354 nan 8.370 nan 0.000 0.465 306 S N -0.898 114.767 115.700 -0.059 0.000 2.370 306 S HA -0.188 4.275 4.470 -0.011 0.000 0.226 306 S C 1.900 176.505 174.600 0.008 0.000 1.033 306 S CA 1.369 59.564 58.200 -0.008 0.000 1.011 306 S CB -0.433 62.760 63.200 -0.013 0.000 0.852 306 S HN 0.339 nan 8.310 nan 0.000 0.457 307 M N 1.132 120.727 119.600 -0.008 0.000 2.117 307 M HA -0.061 4.412 4.480 -0.011 0.000 0.262 307 M C 1.773 178.132 176.300 0.098 0.000 1.065 307 M CA 1.579 56.900 55.300 0.034 0.000 1.114 307 M CB -0.961 31.639 32.600 0.001 0.000 1.361 307 M HN 0.315 nan 8.290 nan 0.000 0.408 308 I N 1.078 121.714 120.570 0.111 0.000 2.163 308 I HA -0.302 3.862 4.170 -0.011 0.000 0.243 308 I C 2.415 178.620 176.117 0.147 0.000 1.085 308 I CA 1.416 62.822 61.300 0.177 0.000 1.347 308 I CB -1.494 36.641 38.000 0.225 0.000 1.044 308 I HN 0.381 nan 8.210 nan 0.000 0.408 309 Q N -0.305 119.563 119.800 0.112 0.000 2.083 309 Q HA -0.110 4.223 4.340 -0.011 0.000 0.198 309 Q C 2.425 178.464 176.000 0.065 0.000 0.969 309 Q CA 1.533 57.390 55.803 0.089 0.000 0.838 309 Q CB -0.734 28.049 28.738 0.076 0.000 0.900 309 Q HN 0.387 nan 8.270 nan 0.000 0.436 310 S N 0.546 116.278 115.700 0.052 0.000 2.368 310 S HA -0.130 4.334 4.470 -0.011 0.000 0.224 310 S C 2.080 176.691 174.600 0.018 0.000 1.029 310 S CA 1.905 60.117 58.200 0.020 0.000 0.988 310 S CB -0.264 62.941 63.200 0.008 0.000 0.838 310 S HN 0.655 nan 8.310 nan 0.000 0.462 311 T N 0.192 114.802 114.554 0.093 0.000 2.746 311 T HA 0.073 4.417 4.350 -0.011 0.000 0.267 311 T C 1.939 176.757 174.700 0.196 0.000 1.039 311 T CA 1.318 63.530 62.100 0.187 0.000 1.142 311 T CB -0.898 68.184 68.868 0.356 0.000 0.866 311 T HN 0.405 nan 8.240 nan 0.000 0.444 312 A N 1.148 124.058 122.820 0.150 0.000 1.972 312 A HA 0.012 4.325 4.320 -0.011 0.000 0.219 312 A C 2.676 180.292 177.584 0.052 0.000 1.169 312 A CA 1.936 54.044 52.037 0.118 0.000 0.635 312 A CB -1.147 17.917 19.000 0.107 0.000 0.810 312 A HN 0.538 nan 8.150 nan 0.000 0.446 313 S N -0.533 115.178 115.700 0.018 0.000 2.371 313 S HA -0.134 4.329 4.470 -0.011 0.000 0.224 313 S C 1.607 176.160 174.600 -0.078 0.000 1.029 313 S CA 1.532 59.716 58.200 -0.027 0.000 0.978 313 S CB -0.364 62.819 63.200 -0.028 0.000 0.833 313 S HN 0.575 nan 8.310 nan 0.000 0.466 314 D N -0.437 119.881 120.400 -0.137 0.000 2.137 314 D HA 0.068 4.701 4.640 -0.011 0.000 0.202 314 D C -0.227 175.904 176.300 -0.282 0.000 0.970 314 D CA 0.826 54.663 54.000 -0.271 0.000 0.837 314 D CB -0.174 40.346 40.800 -0.468 0.000 0.981 314 D HN 0.405 nan 8.370 nan 0.000 0.475 315 Y N 1.482 121.753 120.300 -0.049 0.000 2.327 315 Y HA 0.183 4.726 4.550 -0.011 0.000 0.336 315 Y C 1.384 177.177 175.900 -0.179 0.000 1.035 315 Y CA -0.720 57.337 58.100 -0.071 0.000 1.165 315 Y CB 0.671 39.136 38.460 0.008 0.000 1.181 315 Y HN -0.223 nan 8.280 nan 0.000 0.494 316 N N 1.949 120.524 118.700 -0.208 0.000 2.244 316 N HA -0.122 4.612 4.740 -0.011 0.000 0.183 316 N C -0.417 174.641 175.510 -0.754 0.000 1.016 316 N CA 1.201 53.864 53.050 -0.644 0.000 0.866 316 N CB -0.073 37.744 38.487 -1.117 0.000 0.980 316 N HN 0.406 nan 8.380 nan 0.000 0.430 317 F N -0.173 119.826 119.950 0.082 0.000 2.471 317 F HA 0.334 4.854 4.527 -0.011 0.000 0.318 317 F C 1.110 176.979 175.800 0.115 0.000 1.308 317 F CA -1.087 56.966 58.000 0.088 0.000 1.162 317 F CB -0.030 39.044 39.000 0.124 0.000 1.383 317 F HN -0.211 nan 8.300 nan 0.000 0.552 318 I N 1.403 122.093 120.570 0.200 0.000 2.335 318 I HA -0.250 3.913 4.170 -0.011 0.000 0.251 318 I C 1.803 178.013 176.117 0.155 0.000 1.129 318 I CA 1.631 63.028 61.300 0.161 0.000 1.402 318 I CB -0.203 37.885 38.000 0.146 0.000 1.069 318 I HN 0.283 nan 8.210 nan 0.000 0.424 319 N N 0.544 119.390 118.700 0.243 0.000 2.550 319 N HA -0.098 4.636 4.740 -0.011 0.000 0.186 319 N C 0.927 176.579 175.510 0.235 0.000 1.110 319 N CA 0.800 53.996 53.050 0.244 0.000 0.912 319 N CB -0.265 38.453 38.487 0.385 0.000 0.968 319 N HN 0.420 nan 8.380 nan 0.000 0.448 320 D N -0.371 120.206 120.400 0.295 0.000 2.360 320 D HA 0.059 4.692 4.640 -0.011 0.000 0.210 320 D C 0.254 176.677 176.300 0.204 0.000 1.047 320 D CA 0.063 54.273 54.000 0.350 0.000 0.854 320 D CB 0.257 41.336 40.800 0.466 0.000 0.936 320 D HN 0.073 nan 8.370 nan 0.000 0.514 321 M N 1.432 121.059 119.600 0.046 0.000 2.246 321 M HA 0.060 4.534 4.480 -0.011 0.000 0.350 321 M C -0.040 176.193 176.300 -0.113 0.000 1.406 321 M CA -0.124 55.126 55.300 -0.083 0.000 1.089 321 M CB 0.739 33.232 32.600 -0.179 0.000 1.782 321 M HN -0.326 nan 8.290 nan 0.000 0.457 322 V N 4.823 124.674 119.914 -0.104 0.000 2.353 322 V HA 0.242 4.355 4.120 -0.011 0.000 0.264 322 V C 0.771 176.857 176.094 -0.014 0.000 1.049 322 V CA -0.568 61.632 62.300 -0.167 0.000 0.896 322 V CB 0.422 31.964 31.823 -0.468 0.000 1.025 322 V HN 0.961 nan 8.190 nan 0.000 0.475 323 T N 2.714 117.190 114.554 -0.131 0.000 2.934 323 T HA 0.894 5.237 4.350 -0.011 0.000 0.283 323 T C -0.662 174.119 174.700 0.136 0.000 1.005 323 T CA -0.556 61.395 62.100 -0.249 0.000 1.041 323 T CB 1.789 70.101 68.868 -0.927 0.000 1.042 323 T HN 0.709 nan 8.240 nan 0.000 0.505 324 F N -0.841 119.120 119.950 0.019 0.000 2.769 324 F HA 0.488 5.009 4.527 -0.011 0.000 0.313 324 F C 0.030 175.934 175.800 0.173 0.000 1.146 324 F CA -1.412 56.642 58.000 0.090 0.000 0.934 324 F CB 0.556 39.605 39.000 0.081 0.000 1.283 324 F HN 0.608 nan 8.300 nan 0.000 0.443 325 I N -1.418 119.302 120.570 0.249 0.000 4.035 325 I HA 0.419 4.582 4.170 -0.011 0.000 0.321 325 I C -0.628 175.735 176.117 0.410 0.000 1.289 325 I CA 0.313 61.742 61.300 0.214 0.000 1.236 325 I CB 0.401 38.375 38.000 -0.043 0.000 1.076 325 I HN 0.673 nan 8.210 nan 0.000 0.418 326 D N 0.660 121.327 120.400 0.445 0.000 2.768 326 D HA 0.420 5.053 4.640 -0.011 0.000 0.327 326 D C -0.945 175.434 176.300 0.131 0.000 1.302 326 D CA -0.600 53.606 54.000 0.343 0.000 0.897 326 D CB 0.693 41.666 40.800 0.289 0.000 1.420 326 D HN 0.326 nan 8.370 nan 0.000 0.494 327 N N -2.915 115.608 118.700 -0.296 0.000 3.496 327 N HA 0.112 4.846 4.740 -0.011 0.000 0.331 327 N C 0.520 175.313 175.510 -1.196 0.000 1.532 327 N CA -0.426 52.144 53.050 -0.799 0.000 0.863 327 N CB -0.255 37.950 38.487 -0.469 0.000 1.927 327 N HN 0.576 nan 8.380 nan 0.000 0.529 328 H N -1.882 116.678 119.070 -0.851 0.000 2.559 328 H HA 0.190 4.740 4.556 -0.011 0.000 0.273 328 H C -0.586 174.619 175.328 -0.204 0.000 1.000 328 H CA 1.050 56.840 56.048 -0.430 0.000 1.195 328 H CB 0.001 29.645 29.762 -0.195 0.000 1.368 328 H HN 0.485 nan 8.280 nan 0.000 0.592 329 D N 0.225 120.264 120.400 -0.601 0.000 2.470 329 D HA 0.147 4.780 4.640 -0.011 0.000 0.238 329 D C 0.874 177.102 176.300 -0.121 0.000 1.054 329 D CA 0.026 53.838 54.000 -0.313 0.000 0.896 329 D CB 0.594 41.190 40.800 -0.339 0.000 1.118 329 D HN 0.251 nan 8.370 nan 0.000 0.497 330 M N 1.151 120.703 119.600 -0.081 0.000 2.228 330 M HA 0.095 4.568 4.480 -0.011 0.000 0.326 330 M C -0.166 176.162 176.300 0.047 0.000 1.122 330 M CA -0.284 55.050 55.300 0.056 0.000 1.161 330 M CB 0.631 33.322 32.600 0.150 0.000 1.437 330 M HN -0.264 nan 8.290 nan 0.000 0.465 331 D N 2.110 122.556 120.400 0.076 0.000 2.458 331 D HA 0.056 4.689 4.640 -0.011 0.000 0.243 331 D C 0.029 176.390 176.300 0.103 0.000 1.146 331 D CA 0.392 54.437 54.000 0.076 0.000 0.877 331 D CB 0.407 41.232 40.800 0.043 0.000 1.176 331 D HN 0.338 nan 8.370 nan 0.000 0.461 332 R N 1.705 122.286 120.500 0.136 0.000 2.585 332 R HA -0.063 4.271 4.340 -0.011 0.000 0.275 332 R C 1.113 177.547 176.300 0.223 0.000 1.018 332 R CA -0.151 56.076 56.100 0.210 0.000 1.072 332 R CB 0.271 30.704 30.300 0.222 0.000 0.953 332 R HN 0.475 nan 8.270 nan 0.000 0.419 333 F N 2.830 122.883 119.950 0.173 0.000 2.095 333 F HA -0.217 4.303 4.527 -0.011 0.000 0.298 333 F C 0.838 176.758 175.800 0.199 0.000 1.104 333 F CA 1.313 59.417 58.000 0.174 0.000 1.232 333 F CB -0.174 38.938 39.000 0.187 0.000 0.987 333 F HN 0.471 nan 8.300 nan 0.000 0.475 334 Y N 1.721 122.255 120.300 0.390 0.000 2.465 334 Y HA 0.117 4.661 4.550 -0.011 0.000 0.331 334 Y C 0.621 176.608 175.900 0.144 0.000 1.102 334 Y CA -0.305 57.962 58.100 0.278 0.000 1.358 334 Y CB 0.039 38.688 38.460 0.315 0.000 1.213 334 Y HN 0.084 nan 8.280 nan 0.000 0.525 335 N N 3.099 121.428 118.700 -0.619 0.000 2.184 335 N HA 0.279 5.012 4.740 -0.011 0.000 0.234 335 N C -0.545 174.631 175.510 -0.557 0.000 1.282 335 N CA 0.734 53.522 53.050 -0.436 0.000 0.877 335 N CB 0.576 38.915 38.487 -0.248 0.000 1.184 335 N HN 1.022 nan 8.380 nan 0.000 0.510 336 G N -1.151 106.972 108.800 -1.128 0.000 2.612 336 G HA2 0.426 4.379 3.960 -0.011 0.000 0.686 336 G HA3 0.426 4.379 3.960 -0.011 0.000 0.686 336 G C 0.246 174.965 174.900 -0.301 0.000 1.274 336 G CA -0.377 44.369 45.100 -0.590 0.000 0.849 336 G HN 0.935 nan 8.290 nan 0.000 0.595 337 G N -0.781 108.010 108.800 -0.015 0.000 2.562 337 G HA2 0.216 4.169 3.960 -0.011 0.000 0.250 337 G HA3 0.216 4.169 3.960 -0.011 0.000 0.250 337 G C 0.845 175.862 174.900 0.195 0.000 1.269 337 G CA 1.067 46.209 45.100 0.069 0.000 0.919 337 G HN 2.463 nan 8.290 nan 0.000 0.574 338 S N -0.135 115.652 115.700 0.146 0.000 2.560 338 S HA 0.399 4.863 4.470 -0.011 0.000 0.284 338 S C 1.974 176.700 174.600 0.210 0.000 1.327 338 S CA 1.265 59.545 58.200 0.132 0.000 1.055 338 S CB 0.550 63.811 63.200 0.101 0.000 0.868 338 S HN 2.032 nan 8.310 nan 0.000 0.506 339 T N 2.445 117.012 114.554 0.022 0.000 3.129 339 T HA 0.115 4.458 4.350 -0.011 0.000 0.251 339 T C 1.643 176.389 174.700 0.077 0.000 1.117 339 T CA 0.023 62.065 62.100 -0.096 0.000 1.034 339 T CB -0.095 68.348 68.868 -0.708 0.000 0.968 339 T HN 0.540 nan 8.240 nan 0.000 0.526 340 R N 2.621 123.181 120.500 0.100 0.000 2.081 340 R HA 0.089 4.422 4.340 -0.011 0.000 0.235 340 R C -0.958 175.447 176.300 0.175 0.000 1.131 340 R CA 0.884 57.057 56.100 0.122 0.000 0.960 340 R CB -1.613 28.752 30.300 0.109 0.000 0.856 340 R HN 0.327 nan 8.270 nan 0.000 0.436 341 P HA -0.178 nan 4.420 nan 0.000 0.215 341 P C 1.437 178.918 177.300 0.302 0.000 1.157 341 P CA 1.156 64.466 63.100 0.350 0.000 0.874 341 P CB -0.127 31.826 31.700 0.421 0.000 0.790 342 V N -0.089 120.032 119.914 0.346 0.000 2.427 342 V HA -0.248 3.866 4.120 -0.011 0.000 0.248 342 V C 2.036 178.095 176.094 -0.058 0.000 1.051 342 V CA 1.991 64.345 62.300 0.090 0.000 1.048 342 V CB -0.932 31.107 31.823 0.359 0.000 0.666 342 V HN 0.083 nan 8.190 nan 0.000 0.456 343 E N -0.628 119.610 120.200 0.064 0.000 2.077 343 E HA -0.263 4.080 4.350 -0.011 0.000 0.193 343 E C 2.294 178.858 176.600 -0.061 0.000 0.989 343 E CA 1.628 58.044 56.400 0.026 0.000 0.800 343 E CB -0.158 29.593 29.700 0.085 0.000 0.746 343 E HN 0.692 nan 8.360 nan 0.000 0.452 344 Q N 0.065 119.814 119.800 -0.086 0.000 2.079 344 Q HA -0.115 4.219 4.340 -0.011 0.000 0.200 344 Q C 2.299 178.002 176.000 -0.496 0.000 0.974 344 Q CA 1.220 56.901 55.803 -0.202 0.000 0.840 344 Q CB -0.144 28.525 28.738 -0.114 0.000 0.898 344 Q HN 0.252 nan 8.270 nan 0.000 0.430 345 A N 0.952 123.379 122.820 -0.656 0.000 1.930 345 A HA -0.139 4.175 4.320 -0.011 0.000 0.217 345 A C 2.088 179.485 177.584 -0.311 0.000 1.175 345 A CA 0.946 52.556 52.037 -0.712 0.000 0.627 345 A CB -0.613 17.837 19.000 -0.918 0.000 0.815 345 A HN 0.257 nan 8.150 nan 0.000 0.443 346 L N -0.800 120.268 121.223 -0.258 0.000 2.017 346 L HA -0.216 4.117 4.340 -0.011 0.000 0.208 346 L C 3.135 179.970 176.870 -0.058 0.000 1.073 346 L CA 1.198 55.965 54.840 -0.122 0.000 0.745 346 L CB -0.540 41.459 42.059 -0.100 0.000 0.894 346 L HN 0.443 nan 8.230 nan 0.000 0.432 347 A N -0.410 122.377 122.820 -0.055 0.000 1.902 347 A HA -0.272 4.041 4.320 -0.011 0.000 0.217 347 A C 2.158 179.788 177.584 0.076 0.000 1.181 347 A CA 1.556 53.588 52.037 -0.008 0.000 0.623 347 A CB -0.830 18.164 19.000 -0.011 0.000 0.818 347 A HN 0.399 nan 8.150 nan 0.000 0.443 348 F N 1.428 121.350 119.950 -0.046 0.000 2.075 348 F HA -0.159 4.362 4.527 -0.011 0.000 0.297 348 F C 2.499 178.390 175.800 0.151 0.000 1.113 348 F CA 2.354 60.407 58.000 0.089 0.000 1.218 348 F CB -0.795 38.189 39.000 -0.027 0.000 0.984 348 F HN 0.209 nan 8.300 nan 0.000 0.472 349 T N 1.425 116.040 114.554 0.103 0.000 2.746 349 T HA -0.180 4.163 4.350 -0.011 0.000 0.267 349 T C 2.138 176.786 174.700 -0.087 0.000 1.039 349 T CA 1.788 63.926 62.100 0.064 0.000 1.142 349 T CB -0.584 68.370 68.868 0.143 0.000 0.866 349 T HN 0.242 nan 8.240 nan 0.000 0.444 350 L N 1.258 122.445 121.223 -0.060 0.000 2.275 350 L HA -0.041 4.292 4.340 -0.011 0.000 0.215 350 L C 2.582 179.394 176.870 -0.097 0.000 1.119 350 L CA 1.271 56.062 54.840 -0.083 0.000 0.790 350 L CB -0.625 41.392 42.059 -0.070 0.000 0.919 350 L HN 0.438 nan 8.230 nan 0.000 0.443 351 T N -5.929 108.579 114.554 -0.077 0.000 3.054 351 T HA 0.200 4.543 4.350 -0.011 0.000 0.255 351 T C 0.766 175.449 174.700 -0.029 0.000 1.035 351 T CA -0.287 61.788 62.100 -0.041 0.000 0.941 351 T CB 0.321 69.198 68.868 0.015 0.000 1.026 351 T HN -0.011 nan 8.240 nan 0.000 0.533 352 S N 2.214 117.813 115.700 -0.170 0.000 2.713 352 S HA 0.607 5.070 4.470 -0.011 0.000 0.283 352 S C 0.310 174.800 174.600 -0.184 0.000 1.161 352 S CA -1.068 56.993 58.200 -0.232 0.000 0.999 352 S CB 0.974 63.888 63.200 -0.477 0.000 1.039 352 S HN 0.597 nan 8.310 nan 0.000 0.548 353 R N 0.677 121.101 120.500 -0.127 0.000 2.694 353 R HA 0.546 4.879 4.340 -0.011 0.000 0.268 353 R C 0.613 176.804 176.300 -0.181 0.000 1.061 353 R CA 0.635 56.679 56.100 -0.094 0.000 1.133 353 R CB -1.244 29.058 30.300 0.003 0.000 1.020 353 R HN 0.943 nan 8.270 nan 0.000 0.475 354 G N 0.128 108.853 108.800 -0.125 0.000 2.443 354 G HA2 -0.149 3.804 3.960 -0.011 0.000 0.209 354 G HA3 -0.149 3.804 3.960 -0.011 0.000 0.209 354 G C -1.485 173.312 174.900 -0.172 0.000 1.176 354 G CA -0.302 44.714 45.100 -0.141 0.000 1.074 354 G HN 0.727 nan 8.290 nan 0.000 0.577 355 V N 2.486 122.280 119.914 -0.199 0.000 2.398 355 V HA 0.523 4.636 4.120 -0.011 0.000 0.282 355 V C -2.302 173.684 176.094 -0.181 0.000 1.014 355 V CA -0.978 61.199 62.300 -0.204 0.000 0.838 355 V CB 1.851 33.523 31.823 -0.252 0.000 1.018 355 V HN 0.592 nan 8.190 nan 0.000 0.432 356 P HA 0.474 nan 4.420 nan 0.000 0.276 356 P C -0.685 176.626 177.300 0.019 0.000 1.230 356 P CA 0.020 63.069 63.100 -0.085 0.000 0.776 356 P CB 1.152 32.799 31.700 -0.087 0.000 0.888 357 A N 3.851 126.741 122.820 0.115 0.000 2.371 357 A HA 0.728 5.042 4.320 -0.011 0.000 0.311 357 A C -0.774 176.945 177.584 0.225 0.000 1.068 357 A CA -0.720 51.453 52.037 0.226 0.000 0.744 357 A CB 0.667 19.891 19.000 0.373 0.000 1.239 357 A HN 0.451 nan 8.150 nan 0.000 0.435 358 I N 2.231 122.913 120.570 0.186 0.000 2.406 358 I HA 0.220 4.383 4.170 -0.011 0.000 0.290 358 I C -0.915 175.223 176.117 0.036 0.000 0.999 358 I CA -0.695 60.689 61.300 0.140 0.000 1.124 358 I CB 1.552 39.643 38.000 0.152 0.000 1.289 358 I HN 0.735 nan 8.210 nan 0.000 0.441 359 Y N 8.228 128.470 120.300 -0.097 0.000 2.442 359 Y HA 0.116 4.660 4.550 -0.011 0.000 0.330 359 Y C 0.041 175.745 175.900 -0.326 0.000 1.129 359 Y CA -0.883 57.094 58.100 -0.204 0.000 1.365 359 Y CB 0.236 38.634 38.460 -0.105 0.000 1.233 359 Y HN 0.459 nan 8.280 nan 0.000 0.529 360 Y N 3.968 123.727 120.300 -0.902 0.000 2.904 360 Y HA 0.304 4.847 4.550 -0.011 0.000 0.336 360 Y C 1.101 176.781 175.900 -0.367 0.000 1.263 360 Y CA -0.268 57.374 58.100 -0.763 0.000 1.547 360 Y CB -0.017 38.113 38.460 -0.551 0.000 1.272 360 Y HN 0.939 nan 8.280 nan 0.000 0.596 361 G N 2.165 110.894 108.800 -0.117 0.000 2.199 361 G HA2 -0.371 3.582 3.960 -0.011 0.000 0.254 361 G HA3 -0.371 3.582 3.960 -0.011 0.000 0.254 361 G C 0.844 175.661 174.900 -0.139 0.000 0.982 361 G CA 0.490 45.482 45.100 -0.180 0.000 0.632 361 G HN 0.866 nan 8.290 nan 0.000 0.529 362 T N 1.598 116.089 114.554 -0.106 0.000 2.759 362 T HA -0.111 4.233 4.350 -0.011 0.000 0.269 362 T C 2.114 176.737 174.700 -0.129 0.000 1.042 362 T CA 1.859 63.942 62.100 -0.028 0.000 1.140 362 T CB -0.244 68.644 68.868 0.033 0.000 0.864 362 T HN 0.790 nan 8.240 nan 0.000 0.455 363 E N 1.088 121.246 120.200 -0.070 0.000 2.478 363 E HA -0.127 4.217 4.350 -0.011 0.000 0.198 363 E C 1.228 177.637 176.600 -0.319 0.000 1.046 363 E CA 0.783 57.094 56.400 -0.147 0.000 0.870 363 E CB -0.094 29.657 29.700 0.085 0.000 0.818 363 E HN 0.408 nan 8.360 nan 0.000 0.527 364 Q N -0.137 119.511 119.800 -0.254 0.000 2.194 364 Q HA 0.069 4.403 4.340 -0.011 0.000 0.214 364 Q C -0.551 175.351 176.000 -0.164 0.000 0.838 364 Q CA -0.434 55.241 55.803 -0.213 0.000 0.972 364 Q CB -0.122 28.572 28.738 -0.073 0.000 1.131 364 Q HN 0.301 nan 8.270 nan 0.000 0.498 365 Y N -1.263 119.017 120.300 -0.033 0.000 3.589 365 Y HA -0.275 4.268 4.550 -0.011 0.000 0.218 365 Y C 0.400 176.349 175.900 0.082 0.000 1.234 365 Y CA 0.220 58.260 58.100 -0.100 0.000 1.576 365 Y CB -2.725 35.484 38.460 -0.418 0.000 1.487 365 Y HN 0.213 nan 8.280 nan 0.000 0.616 366 M N 0.734 120.422 119.600 0.148 0.000 2.249 366 M HA 0.204 4.677 4.480 -0.011 0.000 0.340 366 M C 0.949 177.390 176.300 0.234 0.000 1.166 366 M CA 1.155 56.536 55.300 0.136 0.000 1.115 366 M CB 0.597 33.187 32.600 -0.016 0.000 1.606 366 M HN 0.428 nan 8.290 nan 0.000 0.448 367 T N -0.474 114.207 114.554 0.211 0.000 2.942 367 T HA 0.900 5.243 4.350 -0.011 0.000 0.289 367 T C -0.122 174.666 174.700 0.147 0.000 1.044 367 T CA -0.648 61.563 62.100 0.185 0.000 1.023 367 T CB 2.047 71.000 68.868 0.142 0.000 1.123 367 T HN 0.960 nan 8.240 nan 0.000 0.512 368 G N 1.275 110.153 108.800 0.130 0.000 1.875 368 G HA2 0.272 4.225 3.960 -0.011 0.000 0.218 368 G HA3 0.272 4.225 3.960 -0.011 0.000 0.218 368 G C -1.650 173.339 174.900 0.149 0.000 1.648 368 G CA -1.068 44.130 45.100 0.162 0.000 0.941 368 G HN 0.708 nan 8.290 nan 0.000 0.689 369 N N 1.058 119.820 118.700 0.105 0.000 2.462 369 N HA 0.696 5.429 4.740 -0.011 0.000 0.242 369 N C 0.613 176.224 175.510 0.167 0.000 1.010 369 N CA 0.966 54.067 53.050 0.085 0.000 0.939 369 N CB 1.607 40.099 38.487 0.009 0.000 1.127 369 N HN 1.809 nan 8.380 nan 0.000 0.509 370 G N 1.439 110.342 108.800 0.171 0.000 2.697 370 G HA2 -0.171 3.782 3.960 -0.011 0.000 0.686 370 G HA3 -0.171 3.782 3.960 -0.011 0.000 0.686 370 G C -0.961 174.044 174.900 0.175 0.000 1.179 370 G CA -1.026 44.185 45.100 0.185 0.000 0.765 370 G HN 0.571 nan 8.290 nan 0.000 0.649 371 D N 1.599 122.029 120.400 0.050 0.000 2.417 371 D HA 0.419 5.053 4.640 -0.011 0.000 0.250 371 D C -0.345 175.871 176.300 -0.141 0.000 1.166 371 D CA -1.161 52.809 54.000 -0.050 0.000 0.881 371 D CB 1.145 41.885 40.800 -0.100 0.000 1.164 371 D HN 0.207 nan 8.370 nan 0.000 0.467 372 P HA 0.063 nan 4.420 nan 0.000 0.274 372 P C 0.419 177.565 177.300 -0.257 0.000 1.352 372 P CA -0.019 62.869 63.100 -0.353 0.000 0.947 372 P CB -0.004 31.332 31.700 -0.607 0.000 1.437 373 Y N 2.173 122.496 120.300 0.038 0.000 2.333 373 Y HA -0.156 4.387 4.550 -0.011 0.000 0.290 373 Y C 2.000 177.956 175.900 0.093 0.000 1.144 373 Y CA 1.469 59.621 58.100 0.086 0.000 1.228 373 Y CB -1.323 37.201 38.460 0.107 0.000 0.985 373 Y HN 0.143 nan 8.280 nan 0.000 0.542 374 N N 0.586 119.419 118.700 0.221 0.000 2.449 374 N HA -0.043 4.691 4.740 -0.011 0.000 0.191 374 N C 0.249 175.920 175.510 0.268 0.000 1.161 374 N CA 0.315 53.501 53.050 0.228 0.000 0.863 374 N CB -0.292 38.315 38.487 0.201 0.000 0.980 374 N HN 0.274 nan 8.380 nan 0.000 0.458 375 R N -0.078 120.539 120.500 0.196 0.000 2.748 375 R HA 0.425 4.758 4.340 -0.011 0.000 0.395 375 R C -0.266 176.129 176.300 0.159 0.000 1.128 375 R CA -0.363 55.878 56.100 0.235 0.000 1.042 375 R CB 0.825 31.225 30.300 0.166 0.000 1.392 375 R HN 0.147 nan 8.270 nan 0.000 0.582 376 A N 0.971 123.903 122.820 0.187 0.000 2.406 376 A HA 0.184 4.497 4.320 -0.011 0.000 0.243 376 A C 0.323 178.065 177.584 0.262 0.000 1.082 376 A CA -0.352 51.813 52.037 0.212 0.000 0.786 376 A CB 0.188 19.298 19.000 0.182 0.000 1.029 376 A HN 0.343 nan 8.150 nan 0.000 0.495 377 M N 1.346 121.111 119.600 0.275 0.000 2.251 377 M HA 0.174 4.647 4.480 -0.011 0.000 0.343 377 M C 0.309 176.699 176.300 0.151 0.000 1.245 377 M CA 0.152 55.569 55.300 0.194 0.000 1.061 377 M CB -0.040 32.630 32.600 0.117 0.000 1.723 377 M HN 0.734 nan 8.290 nan 0.000 0.449 378 M N 4.326 124.016 119.600 0.151 0.000 2.286 378 M HA -0.037 4.436 4.480 -0.011 0.000 0.365 378 M C 1.007 177.205 176.300 -0.170 0.000 1.443 378 M CA 1.169 56.488 55.300 0.031 0.000 0.951 378 M CB 0.103 32.618 32.600 -0.142 0.000 1.961 378 M HN 0.888 nan 8.290 nan 0.000 0.468 379 T N 0.690 115.141 114.554 -0.172 0.000 3.014 379 T HA 0.216 4.559 4.350 -0.011 0.000 0.263 379 T C 0.737 175.295 174.700 -0.236 0.000 1.078 379 T CA 0.502 62.516 62.100 -0.143 0.000 1.135 379 T CB -0.106 68.726 68.868 -0.060 0.000 0.895 379 T HN 0.693 nan 8.240 nan 0.000 0.480 380 S N -1.036 114.403 115.700 -0.434 0.000 2.565 380 S HA 0.558 5.021 4.470 -0.011 0.000 0.274 380 S C -1.884 172.280 174.600 -0.726 0.000 1.144 380 S CA -0.903 57.054 58.200 -0.405 0.000 0.849 380 S CB 0.641 63.741 63.200 -0.166 0.000 1.103 380 S HN 0.231 nan 8.310 nan 0.000 0.455 381 F N 2.180 122.014 119.950 -0.194 0.000 2.855 381 F HA 0.400 4.920 4.527 -0.011 0.000 0.317 381 F C 0.816 176.592 175.800 -0.041 0.000 1.169 381 F CA -0.723 57.081 58.000 -0.326 0.000 1.299 381 F CB 0.499 39.150 39.000 -0.582 0.000 0.962 381 F HN 0.469 nan 8.300 nan 0.000 0.506 382 N N 1.486 120.225 118.700 0.065 0.000 2.440 382 N HA -0.057 4.677 4.740 -0.011 0.000 0.265 382 N C 1.100 176.546 175.510 -0.107 0.000 1.239 382 N CA 0.532 53.586 53.050 0.005 0.000 0.909 382 N CB 1.002 39.487 38.487 -0.004 0.000 1.066 382 N HN 0.282 nan 8.380 nan 0.000 0.474 383 T N -0.876 113.513 114.554 -0.276 0.000 3.122 383 T HA 0.013 4.356 4.350 -0.011 0.000 0.250 383 T C 1.297 175.703 174.700 -0.491 0.000 1.067 383 T CA 0.353 61.944 62.100 -0.849 0.000 0.966 383 T CB -0.284 68.144 68.868 -0.732 0.000 1.002 383 T HN 0.395 nan 8.240 nan 0.000 0.542 384 S N 0.968 116.554 115.700 -0.190 0.000 2.540 384 S HA 0.130 4.594 4.470 -0.011 0.000 0.218 384 S C 1.046 175.659 174.600 0.022 0.000 0.977 384 S CA -0.087 58.080 58.200 -0.055 0.000 0.918 384 S CB -0.689 62.495 63.200 -0.026 0.000 0.806 384 S HN 0.690 nan 8.310 nan 0.000 0.496 385 T N -0.236 114.342 114.554 0.040 0.000 2.903 385 T HA 0.202 4.546 4.350 -0.011 0.000 0.314 385 T C 1.225 176.015 174.700 0.152 0.000 1.078 385 T CA 0.320 62.495 62.100 0.126 0.000 1.114 385 T CB 0.577 69.502 68.868 0.097 0.000 0.987 385 T HN 0.144 nan 8.240 nan 0.000 0.548 386 T N 2.434 117.106 114.554 0.197 0.000 2.684 386 T HA -0.087 4.257 4.350 -0.011 0.000 0.267 386 T C 2.409 177.191 174.700 0.137 0.000 1.036 386 T CA 1.541 63.739 62.100 0.162 0.000 1.148 386 T CB -0.850 68.116 68.868 0.164 0.000 0.863 386 T HN 0.844 nan 8.240 nan 0.000 0.436 387 A N 0.510 123.411 122.820 0.136 0.000 1.908 387 A HA -0.129 4.184 4.320 -0.011 0.000 0.218 387 A C 2.085 179.669 177.584 0.000 0.000 1.181 387 A CA 1.712 53.751 52.037 0.003 0.000 0.627 387 A CB -1.135 17.728 19.000 -0.227 0.000 0.818 387 A HN 0.594 nan 8.150 nan 0.000 0.445 388 Y N 1.410 121.653 120.300 -0.094 0.000 2.165 388 Y HA -0.242 4.301 4.550 -0.011 0.000 0.286 388 Y C 2.239 178.097 175.900 -0.069 0.000 1.155 388 Y CA 2.290 60.342 58.100 -0.081 0.000 1.164 388 Y CB -0.164 38.259 38.460 -0.062 0.000 0.978 388 Y HN 0.365 nan 8.280 nan 0.000 0.513 389 N N -0.566 118.236 118.700 0.169 0.000 2.354 389 N HA -0.115 4.618 4.740 -0.011 0.000 0.179 389 N C 1.892 177.399 175.510 -0.006 0.000 1.021 389 N CA 1.208 54.312 53.050 0.089 0.000 0.887 389 N CB -0.064 38.491 38.487 0.114 0.000 0.974 389 N HN 0.273 nan 8.380 nan 0.000 0.437 390 V N 2.146 122.053 119.914 -0.011 0.000 2.295 390 V HA -0.206 3.907 4.120 -0.011 0.000 0.246 390 V C 2.295 178.340 176.094 -0.082 0.000 1.049 390 V CA 1.350 63.627 62.300 -0.039 0.000 1.024 390 V CB -0.380 31.429 31.823 -0.024 0.000 0.648 390 V HN 0.190 nan 8.190 nan 0.000 0.447 391 I N -0.157 120.340 120.570 -0.121 0.000 2.179 391 I HA -0.272 3.891 4.170 -0.011 0.000 0.242 391 I C 2.557 178.556 176.117 -0.196 0.000 1.088 391 I CA 1.908 63.108 61.300 -0.166 0.000 1.357 391 I CB -0.508 37.364 38.000 -0.214 0.000 1.051 391 I HN 0.262 nan 8.210 nan 0.000 0.409 392 K N 1.552 121.809 120.400 -0.239 0.000 2.063 392 K HA -0.221 4.092 4.320 -0.011 0.000 0.208 392 K C 2.072 178.600 176.600 -0.119 0.000 1.048 392 K CA 1.643 57.810 56.287 -0.200 0.000 0.928 392 K CB 0.042 32.454 32.500 -0.146 0.000 0.713 392 K HN 0.244 nan 8.250 nan 0.000 0.442 393 K N -0.015 120.329 120.400 -0.092 0.000 2.116 393 K HA 0.007 4.320 4.320 -0.011 0.000 0.203 393 K C 2.017 178.566 176.600 -0.085 0.000 1.052 393 K CA 0.894 57.137 56.287 -0.074 0.000 0.952 393 K CB 0.154 32.619 32.500 -0.058 0.000 0.729 393 K HN 0.162 nan 8.250 nan 0.000 0.446 394 L N -0.265 120.901 121.223 -0.095 0.000 2.357 394 L HA 0.119 4.453 4.340 -0.011 0.000 0.211 394 L C 2.448 179.255 176.870 -0.105 0.000 1.075 394 L CA 0.288 55.071 54.840 -0.097 0.000 0.830 394 L CB -0.346 41.659 42.059 -0.090 0.000 0.996 394 L HN 0.080 nan 8.230 nan 0.000 0.467 395 A N 1.411 124.163 122.820 -0.114 0.000 1.892 395 A HA -0.150 4.163 4.320 -0.011 0.000 0.218 395 A C -0.193 177.318 177.584 -0.122 0.000 1.188 395 A CA 1.894 53.860 52.037 -0.118 0.000 0.631 395 A CB -1.887 17.037 19.000 -0.126 0.000 0.822 395 A HN 0.266 nan 8.150 nan 0.000 0.447 396 P HA -0.085 nan 4.420 nan 0.000 0.225 396 P C 1.199 178.428 177.300 -0.117 0.000 1.148 396 P CA 0.650 63.682 63.100 -0.112 0.000 0.779 396 P CB -0.185 31.458 31.700 -0.096 0.000 0.780 397 L N -0.924 120.230 121.223 -0.115 0.000 2.191 397 L HA -0.124 4.209 4.340 -0.011 0.000 0.212 397 L C 2.448 179.228 176.870 -0.151 0.000 1.103 397 L CA 1.247 56.017 54.840 -0.117 0.000 0.769 397 L CB -0.617 41.380 42.059 -0.104 0.000 0.908 397 L HN -0.013 nan 8.230 nan 0.000 0.438 398 R N -0.045 120.352 120.500 -0.172 0.000 2.189 398 R HA -0.089 4.244 4.340 -0.011 0.000 0.223 398 R C 2.043 178.184 176.300 -0.264 0.000 1.092 398 R CA 0.691 56.651 56.100 -0.233 0.000 0.989 398 R CB -0.081 30.081 30.300 -0.231 0.000 0.876 398 R HN 0.349 nan 8.270 nan 0.000 0.457 399 K N 0.174 120.452 120.400 -0.204 0.000 2.128 399 K HA 0.020 4.334 4.320 -0.011 0.000 0.202 399 K C 2.152 178.657 176.600 -0.158 0.000 1.050 399 K CA 1.355 57.530 56.287 -0.187 0.000 0.966 399 K CB 0.112 32.521 32.500 -0.151 0.000 0.759 399 K HN 0.148 nan 8.250 nan 0.000 0.454 400 S N 0.547 116.166 115.700 -0.135 0.000 2.458 400 S HA 0.017 4.481 4.470 -0.011 0.000 0.223 400 S C 0.803 175.341 174.600 -0.103 0.000 1.019 400 S CA 0.068 58.204 58.200 -0.107 0.000 0.937 400 S CB -0.063 63.083 63.200 -0.090 0.000 0.788 400 S HN 0.056 nan 8.310 nan 0.000 0.511 401 N N 2.223 120.850 118.700 -0.121 0.000 2.569 401 N HA 0.384 5.117 4.740 -0.011 0.000 0.254 401 N C -2.378 173.047 175.510 -0.142 0.000 1.004 401 N CA -2.258 50.733 53.050 -0.097 0.000 0.904 401 N CB 2.010 40.453 38.487 -0.072 0.000 1.165 401 N HN -0.004 nan 8.380 nan 0.000 0.513 402 P HA -0.055 nan 4.420 nan 0.000 0.226 402 P C 0.896 178.072 177.300 -0.207 0.000 1.153 402 P CA 0.550 63.522 63.100 -0.214 0.000 0.777 402 P CB 0.362 32.073 31.700 0.019 0.000 0.794 403 A N 0.243 123.069 122.820 0.010 0.000 1.933 403 A HA -0.136 4.177 4.320 -0.011 0.000 0.218 403 A C 2.279 179.847 177.584 -0.027 0.000 1.175 403 A CA 1.237 53.325 52.037 0.085 0.000 0.628 403 A CB -1.407 17.670 19.000 0.128 0.000 0.814 403 A HN 0.152 nan 8.150 nan 0.000 0.444 404 I N -0.659 119.848 120.570 -0.105 0.000 2.333 404 I HA -0.173 3.990 4.170 -0.011 0.000 0.246 404 I C 2.892 178.867 176.117 -0.237 0.000 1.106 404 I CA 0.891 62.112 61.300 -0.132 0.000 1.411 404 I CB -0.232 37.691 38.000 -0.128 0.000 1.082 404 I HN 0.336 nan 8.210 nan 0.000 0.420 405 A N -0.004 122.558 122.820 -0.430 0.000 1.929 405 A HA -0.155 4.158 4.320 -0.011 0.000 0.216 405 A C 1.647 178.870 177.584 -0.601 0.000 1.176 405 A CA 1.668 53.288 52.037 -0.695 0.000 0.628 405 A CB -0.383 17.882 19.000 -1.226 0.000 0.816 405 A HN 0.489 nan 8.150 nan 0.000 0.444 406 Y N -1.398 118.734 120.300 -0.281 0.000 2.448 406 Y HA 0.336 4.879 4.550 -0.011 0.000 0.257 406 Y C 1.536 177.388 175.900 -0.079 0.000 1.089 406 Y CA -0.880 57.048 58.100 -0.286 0.000 1.245 406 Y CB -0.611 37.380 38.460 -0.781 0.000 1.282 406 Y HN 0.221 nan 8.280 nan 0.000 0.529 407 G N 1.126 109.992 108.800 0.111 0.000 2.606 407 G HA2 0.351 4.304 3.960 -0.011 0.000 0.252 407 G HA3 0.351 4.304 3.960 -0.011 0.000 0.252 407 G C 0.432 175.458 174.900 0.210 0.000 1.206 407 G CA 0.046 45.299 45.100 0.255 0.000 0.861 407 G HN 0.162 nan 8.290 nan 0.000 0.561 408 T N -1.701 112.985 114.554 0.220 0.000 2.701 408 T HA 0.445 4.788 4.350 -0.011 0.000 0.303 408 T C 0.156 174.950 174.700 0.157 0.000 1.030 408 T CA -0.124 62.078 62.100 0.169 0.000 1.010 408 T CB 0.899 69.858 68.868 0.151 0.000 1.007 408 T HN 0.421 nan 8.240 nan 0.000 0.532 409 T N 1.639 116.283 114.554 0.150 0.000 2.841 409 T HA 0.484 4.828 4.350 -0.011 0.000 0.285 409 T C -0.859 173.943 174.700 0.171 0.000 0.991 409 T CA -0.674 61.527 62.100 0.168 0.000 0.966 409 T CB 1.540 70.501 68.868 0.155 0.000 0.962 409 T HN 0.739 nan 8.240 nan 0.000 0.438 410 Q N 2.388 122.297 119.800 0.182 0.000 2.337 410 Q HA 0.301 4.635 4.340 -0.011 0.000 0.270 410 Q C -0.821 175.297 176.000 0.196 0.000 1.043 410 Q CA -0.809 55.097 55.803 0.171 0.000 0.794 410 Q CB 1.575 30.395 28.738 0.137 0.000 1.281 410 Q HN 0.543 nan 8.270 nan 0.000 0.446 411 Q N 3.443 123.378 119.800 0.226 0.000 2.289 411 Q HA 0.037 4.370 4.340 -0.011 0.000 0.273 411 Q C -0.276 175.847 176.000 0.205 0.000 1.029 411 Q CA 0.556 56.519 55.803 0.267 0.000 0.896 411 Q CB 0.688 29.621 28.738 0.324 0.000 1.182 411 Q HN 0.709 nan 8.270 nan 0.000 0.385 412 R N 3.156 123.785 120.500 0.214 0.000 2.287 412 R HA 0.150 4.484 4.340 -0.011 0.000 0.197 412 R C -0.321 176.182 176.300 0.339 0.000 0.900 412 R CA 0.391 56.634 56.100 0.238 0.000 1.052 412 R CB 0.671 31.101 30.300 0.217 0.000 1.117 412 R HN 0.670 nan 8.270 nan 0.000 0.568 413 W N -0.036 121.337 121.300 0.122 0.000 3.479 413 W HA 0.572 5.226 4.660 -0.011 0.000 0.304 413 W C -1.707 174.869 176.519 0.096 0.000 1.243 413 W CA -0.555 56.849 57.345 0.097 0.000 1.202 413 W CB 1.335 30.844 29.460 0.082 0.000 1.346 413 W HN -0.183 nan 8.180 nan 0.000 0.539 414 I N 6.115 126.636 120.570 -0.082 0.000 2.722 414 I HA 0.415 4.578 4.170 -0.011 0.000 0.292 414 I C -1.277 174.556 176.117 -0.472 0.000 1.267 414 I CA -0.437 60.771 61.300 -0.153 0.000 1.036 414 I CB 1.418 39.261 38.000 -0.262 0.000 1.281 414 I HN 0.617 nan 8.210 nan 0.000 0.423 415 N N 3.805 122.292 118.700 -0.354 0.000 3.387 415 N HA 0.377 5.111 4.740 -0.011 0.000 0.322 415 N C -0.180 175.143 175.510 -0.311 0.000 1.588 415 N CA -0.676 52.190 53.050 -0.307 0.000 0.778 415 N CB 0.032 38.412 38.487 -0.178 0.000 1.883 415 N HN 0.364 nan 8.380 nan 0.000 0.628 416 N N -0.416 118.264 118.700 -0.033 0.000 2.205 416 N HA -0.086 4.648 4.740 -0.011 0.000 0.186 416 N C -0.190 175.254 175.510 -0.110 0.000 1.015 416 N CA 1.355 54.406 53.050 0.001 0.000 0.862 416 N CB -0.233 38.299 38.487 0.076 0.000 0.986 416 N HN 0.535 nan 8.380 nan 0.000 0.429 417 D N -0.763 119.553 120.400 -0.140 0.000 2.417 417 D HA 0.134 4.767 4.640 -0.011 0.000 0.207 417 D C -0.172 176.077 176.300 -0.084 0.000 1.075 417 D CA 0.173 54.117 54.000 -0.095 0.000 0.851 417 D CB 1.216 42.045 40.800 0.048 0.000 0.976 417 D HN -0.086 nan 8.370 nan 0.000 0.505 418 V N 1.446 121.297 119.914 -0.106 0.000 2.495 418 V HA 0.292 4.405 4.120 -0.011 0.000 0.298 418 V C -1.180 175.039 176.094 0.208 0.000 1.031 418 V CA -0.860 61.480 62.300 0.067 0.000 0.871 418 V CB 2.203 34.083 31.823 0.094 0.000 0.988 418 V HN -0.033 nan 8.190 nan 0.000 0.432 419 Y N 5.499 125.873 120.300 0.125 0.000 2.329 419 Y HA 0.648 5.192 4.550 -0.011 0.000 0.328 419 Y C -0.627 175.473 175.900 0.333 0.000 0.992 419 Y CA -1.744 56.478 58.100 0.205 0.000 1.151 419 Y CB 1.545 40.111 38.460 0.177 0.000 1.150 419 Y HN 0.535 nan 8.280 nan 0.000 0.450 420 I N 8.700 129.433 120.570 0.273 0.000 2.355 420 I HA 0.297 4.461 4.170 -0.011 0.000 0.288 420 I C -1.207 174.896 176.117 -0.023 0.000 0.999 420 I CA -1.010 60.360 61.300 0.117 0.000 1.163 420 I CB 0.785 38.939 38.000 0.257 0.000 1.316 420 I HN 0.529 nan 8.210 nan 0.000 0.454 421 Y N 3.122 123.271 120.300 -0.251 0.000 2.570 421 Y HA 0.738 5.281 4.550 -0.011 0.000 0.345 421 Y C -0.741 175.127 175.900 -0.054 0.000 1.014 421 Y CA -1.377 56.569 58.100 -0.256 0.000 1.063 421 Y CB 1.200 39.346 38.460 -0.524 0.000 1.272 421 Y HN 0.476 nan 8.280 nan 0.000 0.477 422 E N 2.368 122.650 120.200 0.137 0.000 2.199 422 E HA 0.435 4.779 4.350 -0.011 0.000 0.265 422 E C -1.121 175.571 176.600 0.153 0.000 0.882 422 E CA -1.125 55.330 56.400 0.092 0.000 0.759 422 E CB 0.971 30.726 29.700 0.091 0.000 1.148 422 E HN 0.603 nan 8.360 nan 0.000 0.412 423 R N 3.498 124.073 120.500 0.125 0.000 2.312 423 R HA 0.407 4.740 4.340 -0.011 0.000 0.311 423 R C -0.560 175.820 176.300 0.133 0.000 1.004 423 R CA -0.468 55.714 56.100 0.136 0.000 0.902 423 R CB 1.222 31.585 30.300 0.105 0.000 1.073 423 R HN 0.465 nan 8.270 nan 0.000 0.457 424 K N 2.408 122.909 120.400 0.168 0.000 2.513 424 K HA 0.397 4.710 4.320 -0.011 0.000 0.251 424 K C -1.801 174.971 176.600 0.286 0.000 0.939 424 K CA -0.582 55.817 56.287 0.187 0.000 0.793 424 K CB 1.280 33.864 32.500 0.139 0.000 1.241 424 K HN 0.392 nan 8.250 nan 0.000 0.431 425 F N 4.585 124.593 119.950 0.096 0.000 2.902 425 F HA 0.395 4.915 4.527 -0.011 0.000 0.368 425 F C 0.343 176.198 175.800 0.092 0.000 1.202 425 F CA 0.596 58.660 58.000 0.108 0.000 1.109 425 F CB 1.011 40.093 39.000 0.136 0.000 1.418 425 F HN 0.866 nan 8.300 nan 0.000 0.527 426 G N 5.057 113.739 108.800 -0.196 0.000 2.591 426 G HA2 -0.400 3.553 3.960 -0.011 0.000 0.298 426 G HA3 -0.400 3.553 3.960 -0.011 0.000 0.298 426 G C 0.697 175.604 174.900 0.011 0.000 1.195 426 G CA 0.564 45.580 45.100 -0.141 0.000 0.989 426 G HN 0.582 nan 8.290 nan 0.000 0.551 427 N N 2.472 121.203 118.700 0.053 0.000 2.322 427 N HA 0.074 4.807 4.740 -0.011 0.000 0.194 427 N C 0.248 175.897 175.510 0.232 0.000 1.126 427 N CA 0.161 53.290 53.050 0.132 0.000 0.845 427 N CB -0.136 38.438 38.487 0.144 0.000 0.976 427 N HN 0.486 nan 8.380 nan 0.000 0.475 428 N N 0.842 119.661 118.700 0.198 0.000 2.488 428 N HA 0.201 4.934 4.740 -0.011 0.000 0.274 428 N C -0.520 175.111 175.510 0.202 0.000 1.111 428 N CA 0.095 53.273 53.050 0.212 0.000 0.974 428 N CB 2.162 40.778 38.487 0.214 0.000 1.089 428 N HN -0.223 nan 8.380 nan 0.000 0.465 429 V N 0.487 120.514 119.914 0.189 0.000 2.841 429 V HA 0.721 4.834 4.120 -0.011 0.000 0.310 429 V C -0.573 175.574 176.094 0.089 0.000 1.090 429 V CA -0.966 61.414 62.300 0.133 0.000 0.930 429 V CB 1.854 33.742 31.823 0.108 0.000 1.014 429 V HN 0.779 nan 8.190 nan 0.000 0.425 430 A N 3.850 126.702 122.820 0.053 0.000 2.374 430 A HA 0.906 5.219 4.320 -0.011 0.000 0.305 430 A C -1.564 176.008 177.584 -0.020 0.000 1.053 430 A CA -0.505 51.538 52.037 0.010 0.000 0.726 430 A CB 1.532 20.522 19.000 -0.017 0.000 1.229 430 A HN 0.855 nan 8.150 nan 0.000 0.431 431 L N 3.294 124.510 121.223 -0.012 0.000 2.325 431 L HA 0.739 5.072 4.340 -0.011 0.000 0.281 431 L C -1.119 175.686 176.870 -0.109 0.000 1.004 431 L CA -0.299 54.542 54.840 0.003 0.000 0.823 431 L CB 1.824 43.975 42.059 0.154 0.000 1.236 431 L HN 0.443 nan 8.230 nan 0.000 0.415 432 V N 4.397 124.062 119.914 -0.415 0.000 2.540 432 V HA 0.874 4.987 4.120 -0.011 0.000 0.302 432 V C -0.115 175.716 176.094 -0.438 0.000 1.035 432 V CA -0.514 61.426 62.300 -0.600 0.000 0.873 432 V CB 1.481 32.759 31.823 -0.908 0.000 0.992 432 V HN 0.918 nan 8.190 nan 0.000 0.428 433 A N 6.189 128.847 122.820 -0.270 0.000 2.318 433 A HA 0.934 5.248 4.320 -0.011 0.000 0.317 433 A C -0.878 176.735 177.584 0.048 0.000 1.159 433 A CA -0.467 51.576 52.037 0.009 0.000 0.799 433 A CB 0.758 19.905 19.000 0.245 0.000 1.194 433 A HN 0.772 nan 8.150 nan 0.000 0.479 434 I N 2.313 122.992 120.570 0.183 0.000 2.499 434 I HA 0.289 4.453 4.170 -0.011 0.000 0.288 434 I C -0.713 175.545 176.117 0.235 0.000 1.048 434 I CA -0.727 60.716 61.300 0.238 0.000 1.062 434 I CB 2.348 40.580 38.000 0.387 0.000 1.238 434 I HN 0.649 nan 8.210 nan 0.000 0.426 435 N N 5.386 124.212 118.700 0.211 0.000 2.511 435 N HA 0.257 4.991 4.740 -0.011 0.000 0.249 435 N C 0.798 176.438 175.510 0.217 0.000 0.971 435 N CA -0.776 52.399 53.050 0.208 0.000 0.938 435 N CB 1.016 39.644 38.487 0.235 0.000 1.131 435 N HN 0.621 nan 8.380 nan 0.000 0.505 436 R N 2.301 122.912 120.500 0.185 0.000 2.235 436 R HA 0.036 4.369 4.340 -0.011 0.000 0.213 436 R C 0.164 176.560 176.300 0.160 0.000 1.059 436 R CA 0.260 56.471 56.100 0.183 0.000 0.997 436 R CB -0.147 30.157 30.300 0.007 0.000 0.884 436 R HN 0.299 nan 8.270 nan 0.000 0.462 437 N N 1.640 120.445 118.700 0.176 0.000 2.452 437 N HA -0.004 4.730 4.740 -0.011 0.000 0.266 437 N C 0.329 175.916 175.510 0.129 0.000 1.175 437 N CA 0.072 53.219 53.050 0.162 0.000 0.945 437 N CB 1.004 39.633 38.487 0.236 0.000 1.063 437 N HN 0.276 nan 8.380 nan 0.000 0.472 438 L N 1.970 123.253 121.223 0.099 0.000 2.592 438 L HA 0.094 4.427 4.340 -0.011 0.000 0.227 438 L C 1.110 178.012 176.870 0.054 0.000 1.127 438 L CA 0.193 55.082 54.840 0.082 0.000 0.884 438 L CB 0.181 42.290 42.059 0.083 0.000 1.065 438 L HN 0.449 nan 8.230 nan 0.000 0.457 439 S N -2.091 113.633 115.700 0.040 0.000 2.628 439 S HA 0.134 4.597 4.470 -0.011 0.000 0.246 439 S C 0.598 175.185 174.600 -0.022 0.000 1.062 439 S CA -0.139 58.068 58.200 0.013 0.000 1.028 439 S CB 1.025 64.232 63.200 0.012 0.000 0.985 439 S HN 0.194 nan 8.310 nan 0.000 0.551 440 T N 2.790 117.318 114.554 -0.042 0.000 2.841 440 T HA 0.573 4.916 4.350 -0.011 0.000 0.283 440 T C -0.177 174.376 174.700 -0.245 0.000 1.000 440 T CA -0.601 61.398 62.100 -0.169 0.000 0.977 440 T CB 1.772 70.500 68.868 -0.233 0.000 0.979 440 T HN 0.262 nan 8.240 nan 0.000 0.446 441 S N 2.073 117.598 115.700 -0.291 0.000 2.687 441 S HA 0.748 5.212 4.470 -0.011 0.000 0.283 441 S C -1.277 173.033 174.600 -0.483 0.000 1.170 441 S CA -0.717 57.343 58.200 -0.233 0.000 1.008 441 S CB 0.636 63.776 63.200 -0.099 0.000 1.026 441 S HN 0.616 nan 8.310 nan 0.000 0.541 442 Y N 0.102 120.381 120.300 -0.034 0.000 2.462 442 Y HA 0.452 4.995 4.550 -0.011 0.000 0.346 442 Y C 0.036 175.830 175.900 -0.176 0.000 0.976 442 Y CA -0.951 57.110 58.100 -0.065 0.000 1.044 442 Y CB 1.725 40.156 38.460 -0.048 0.000 1.230 442 Y HN 0.749 nan 8.280 nan 0.000 0.455 443 N N 2.884 121.593 118.700 0.014 0.000 2.408 443 N HA 0.258 4.992 4.740 -0.011 0.000 0.257 443 N C -1.325 174.034 175.510 -0.251 0.000 1.064 443 N CA -0.147 52.836 53.050 -0.113 0.000 0.952 443 N CB 0.372 38.847 38.487 -0.020 0.000 1.093 443 N HN 0.408 nan 8.380 nan 0.000 0.490 444 I N 3.455 123.658 120.570 -0.612 0.000 2.291 444 I HA 0.199 4.363 4.170 -0.011 0.000 0.290 444 I C 0.523 176.352 176.117 -0.480 0.000 1.050 444 I CA -0.375 60.356 61.300 -0.948 0.000 1.245 444 I CB -0.381 36.595 38.000 -1.707 0.000 1.405 444 I HN 0.513 nan 8.210 nan 0.000 0.478 445 T N 0.473 114.997 114.554 -0.050 0.000 2.924 445 T HA 0.682 5.025 4.350 -0.011 0.000 0.291 445 T C 0.824 175.690 174.700 0.276 0.000 1.045 445 T CA -0.115 62.035 62.100 0.084 0.000 1.015 445 T CB 2.157 71.086 68.868 0.102 0.000 1.103 445 T HN 0.924 nan 8.240 nan 0.000 0.496 446 G N 0.351 109.249 108.800 0.164 0.000 2.148 446 G HA2 -0.202 3.752 3.960 -0.011 0.000 0.254 446 G HA3 -0.202 3.752 3.960 -0.011 0.000 0.254 446 G C -0.099 174.968 174.900 0.278 0.000 0.981 446 G CA 0.203 45.434 45.100 0.219 0.000 0.670 446 G HN 1.112 nan 8.290 nan 0.000 0.528 447 L N 0.724 122.065 121.223 0.196 0.000 2.410 447 L HA 0.706 5.040 4.340 -0.011 0.000 0.273 447 L C -0.134 176.721 176.870 -0.025 0.000 1.152 447 L CA -0.907 54.069 54.840 0.227 0.000 0.855 447 L CB 0.176 42.327 42.059 0.154 0.000 1.129 447 L HN 0.147 nan 8.230 nan 0.000 0.463 448 Y N 2.833 123.206 120.300 0.123 0.000 2.524 448 Y HA 0.710 5.253 4.550 -0.011 0.000 0.344 448 Y C 0.365 176.292 175.900 0.044 0.000 1.012 448 Y CA -0.532 57.607 58.100 0.064 0.000 1.068 448 Y CB 2.292 40.787 38.460 0.059 0.000 1.249 448 Y HN 0.660 nan 8.280 nan 0.000 0.468 449 T N -0.349 114.299 114.554 0.157 0.000 2.853 449 T HA 0.596 4.940 4.350 -0.011 0.000 0.311 449 T C -0.095 174.633 174.700 0.047 0.000 1.307 449 T CA 0.003 62.142 62.100 0.065 0.000 1.019 449 T CB 1.229 70.070 68.868 -0.044 0.000 1.264 449 T HN 0.716 nan 8.240 nan 0.000 0.497 450 A N 2.576 125.412 122.820 0.027 0.000 2.251 450 A HA 0.416 4.729 4.320 -0.011 0.000 0.209 450 A C 0.922 178.483 177.584 -0.038 0.000 1.187 450 A CA 0.025 52.070 52.037 0.014 0.000 0.823 450 A CB -0.682 18.340 19.000 0.037 0.000 0.846 450 A HN 0.734 nan 8.150 nan 0.000 0.486 451 L N 1.369 122.533 121.223 -0.098 0.000 2.578 451 L HA 0.082 4.416 4.340 -0.011 0.000 0.279 451 L C -2.059 174.732 176.870 -0.133 0.000 1.227 451 L CA -1.351 53.373 54.840 -0.192 0.000 0.900 451 L CB 0.090 41.852 42.059 -0.495 0.000 1.144 451 L HN 0.112 nan 8.230 nan 0.000 0.496 452 P HA 0.007 nan 4.420 nan 0.000 0.269 452 P C -0.568 176.736 177.300 0.007 0.000 1.217 452 P CA -0.345 62.658 63.100 -0.162 0.000 0.783 452 P CB 0.475 31.924 31.700 -0.419 0.000 0.898 453 A N 1.454 124.264 122.820 -0.018 0.000 2.565 453 A HA 0.471 4.784 4.320 -0.011 0.000 0.237 453 A C 0.849 178.431 177.584 -0.002 0.000 1.053 453 A CA 1.320 53.361 52.037 0.005 0.000 0.755 453 A CB -1.192 17.796 19.000 -0.020 0.000 0.980 453 A HN 0.791 nan 8.150 nan 0.000 0.506 454 G N 0.261 109.059 108.800 -0.004 0.000 2.359 454 G HA2 0.442 4.395 3.960 -0.011 0.000 0.293 454 G HA3 0.442 4.395 3.960 -0.011 0.000 0.293 454 G C -0.733 174.060 174.900 -0.178 0.000 1.300 454 G CA -0.206 44.807 45.100 -0.145 0.000 0.888 454 G HN 0.976 nan 8.290 nan 0.000 0.541 455 T N 0.651 115.021 114.554 -0.307 0.000 2.794 455 T HA 0.649 4.992 4.350 -0.011 0.000 0.280 455 T C -1.240 173.208 174.700 -0.419 0.000 0.987 455 T CA 0.097 62.056 62.100 -0.235 0.000 0.993 455 T CB 0.909 69.691 68.868 -0.144 0.000 0.939 455 T HN 0.384 nan 8.240 nan 0.000 0.449 456 Y N 1.625 121.865 120.300 -0.101 0.000 2.364 456 Y HA 0.440 4.983 4.550 -0.011 0.000 0.340 456 Y C 1.138 177.101 175.900 0.105 0.000 0.975 456 Y CA -1.071 57.030 58.100 0.002 0.000 1.089 456 Y CB 1.489 39.937 38.460 -0.021 0.000 1.192 456 Y HN 0.639 nan 8.280 nan 0.000 0.454 457 T N -1.441 113.267 114.554 0.258 0.000 2.913 457 T HA 0.184 4.527 4.350 -0.011 0.000 0.287 457 T C -0.365 174.507 174.700 0.286 0.000 1.008 457 T CA -0.988 61.247 62.100 0.225 0.000 1.067 457 T CB 1.271 70.200 68.868 0.102 0.000 0.996 457 T HN 0.545 nan 8.240 nan 0.000 0.513 458 D N 1.431 121.935 120.400 0.172 0.000 2.401 458 D HA 0.051 4.685 4.640 -0.011 0.000 0.254 458 D C 1.190 177.454 176.300 -0.059 0.000 1.192 458 D CA -0.310 53.654 54.000 -0.061 0.000 0.885 458 D CB 0.598 41.347 40.800 -0.085 0.000 1.147 458 D HN 0.306 nan 8.370 nan 0.000 0.478 459 V N 4.484 124.333 119.914 -0.109 0.000 2.469 459 V HA -0.227 3.886 4.120 -0.011 0.000 0.251 459 V C 2.271 178.320 176.094 -0.076 0.000 1.064 459 V CA 1.316 63.572 62.300 -0.073 0.000 1.066 459 V CB -0.538 31.233 31.823 -0.086 0.000 0.667 459 V HN 0.648 nan 8.190 nan 0.000 0.461 460 L N 0.497 121.656 121.223 -0.107 0.000 2.551 460 L HA 0.164 4.497 4.340 -0.011 0.000 0.228 460 L C 1.799 178.642 176.870 -0.045 0.000 1.153 460 L CA 0.844 55.638 54.840 -0.078 0.000 0.851 460 L CB -0.770 41.232 42.059 -0.094 0.000 0.959 460 L HN 0.551 nan 8.230 nan 0.000 0.451 461 G N 0.084 108.862 108.800 -0.036 0.000 2.258 461 G HA2 -0.254 3.699 3.960 -0.011 0.000 0.274 461 G HA3 -0.254 3.699 3.960 -0.011 0.000 0.274 461 G C 0.974 175.872 174.900 -0.004 0.000 1.021 461 G CA 0.389 45.482 45.100 -0.011 0.000 0.798 461 G HN 0.703 nan 8.290 nan 0.000 0.507 462 G N -1.850 106.944 108.800 -0.011 0.000 2.159 462 G HA2 -0.173 3.780 3.960 -0.011 0.000 0.256 462 G HA3 -0.173 3.780 3.960 -0.011 0.000 0.256 462 G C 1.186 176.089 174.900 0.004 0.000 0.977 462 G CA 1.028 46.129 45.100 0.002 0.000 0.652 462 G HN 1.617 nan 8.290 nan 0.000 0.531 463 L N -0.008 121.213 121.223 -0.003 0.000 2.042 463 L HA 0.192 4.525 4.340 -0.011 0.000 0.210 463 L C 1.970 178.849 176.870 0.014 0.000 1.076 463 L CA 2.229 57.073 54.840 0.008 0.000 0.749 463 L CB -0.131 41.931 42.059 0.004 0.000 0.893 463 L HN 0.405 nan 8.230 nan 0.000 0.432 464 L N 0.004 121.228 121.223 0.002 0.000 3.034 464 L HA 0.260 4.593 4.340 -0.011 0.000 0.245 464 L C 0.252 177.134 176.870 0.019 0.000 1.295 464 L CA -0.077 54.771 54.840 0.014 0.000 1.068 464 L CB -0.698 41.365 42.059 0.007 0.000 1.426 464 L HN 0.344 nan 8.230 nan 0.000 0.531 465 N N -0.960 117.753 118.700 0.022 0.000 2.800 465 N HA -0.166 4.568 4.740 -0.011 0.000 0.250 465 N C 0.755 176.288 175.510 0.039 0.000 1.078 465 N CA 0.751 53.822 53.050 0.035 0.000 0.804 465 N CB -1.018 37.498 38.487 0.048 0.000 1.135 465 N HN 0.610 nan 8.380 nan 0.000 0.565 466 G N -0.563 108.241 108.800 0.008 0.000 2.636 466 G HA2 0.410 4.364 3.960 -0.011 0.000 0.246 466 G HA3 0.410 4.364 3.960 -0.011 0.000 0.246 466 G C 0.159 175.089 174.900 0.051 0.000 1.216 466 G CA 0.205 45.303 45.100 -0.004 0.000 0.854 466 G HN 0.254 nan 8.290 nan 0.000 0.572 467 N N -1.762 117.009 118.700 0.119 0.000 2.972 467 N HA 0.390 5.123 4.740 -0.011 0.000 0.262 467 N C -0.423 175.246 175.510 0.264 0.000 1.478 467 N CA -0.611 52.527 53.050 0.146 0.000 0.841 467 N CB 1.599 40.160 38.487 0.122 0.000 1.512 467 N HN 0.362 nan 8.380 nan 0.000 0.548 468 S N 0.087 115.880 115.700 0.155 0.000 2.603 468 S HA 0.622 5.086 4.470 -0.011 0.000 0.268 468 S C 0.193 174.698 174.600 -0.159 0.000 1.317 468 S CA -0.512 57.754 58.200 0.110 0.000 1.012 468 S CB 0.082 63.305 63.200 0.038 0.000 0.926 468 S HN 0.439 nan 8.310 nan 0.000 0.539 469 I N -1.631 118.691 120.570 -0.413 0.000 2.892 469 I HA 0.733 4.897 4.170 -0.011 0.000 0.306 469 I C -0.641 175.284 176.117 -0.320 0.000 1.078 469 I CA -0.741 60.185 61.300 -0.622 0.000 1.032 469 I CB 2.299 39.518 38.000 -1.301 0.000 1.229 469 I HN 0.312 nan 8.210 nan 0.000 0.435 470 S N 2.601 118.152 115.700 -0.248 0.000 2.473 470 S HA 0.713 5.176 4.470 -0.011 0.000 0.307 470 S C -0.542 173.985 174.600 -0.122 0.000 1.094 470 S CA -0.587 57.536 58.200 -0.128 0.000 1.070 470 S CB 1.911 65.055 63.200 -0.094 0.000 1.019 470 S HN 0.446 nan 8.310 nan 0.000 0.480 471 V N 2.504 122.388 119.914 -0.049 0.000 2.540 471 V HA 0.764 4.877 4.120 -0.011 0.000 0.302 471 V C 0.367 176.441 176.094 -0.032 0.000 1.035 471 V CA -0.808 61.460 62.300 -0.055 0.000 0.873 471 V CB 1.480 33.295 31.823 -0.014 0.000 0.992 471 V HN 0.988 nan 8.190 nan 0.000 0.428 472 A N 3.186 125.975 122.820 -0.051 0.000 2.257 472 A HA 0.570 4.883 4.320 -0.011 0.000 0.289 472 A C 1.413 178.991 177.584 -0.010 0.000 1.095 472 A CA 0.033 52.052 52.037 -0.030 0.000 0.836 472 A CB 0.535 19.515 19.000 -0.034 0.000 1.111 472 A HN 0.809 nan 8.150 nan 0.000 0.497 473 S N 0.247 115.946 115.700 -0.001 0.000 2.419 473 S HA -0.147 4.316 4.470 -0.011 0.000 0.233 473 S C 1.218 175.835 174.600 0.029 0.000 1.016 473 S CA 1.663 59.867 58.200 0.006 0.000 0.974 473 S CB -0.353 62.850 63.200 0.004 0.000 0.786 473 S HN 0.889 nan 8.310 nan 0.000 0.492 474 D N 0.040 120.471 120.400 0.052 0.000 2.336 474 D HA 0.201 4.834 4.640 -0.011 0.000 0.229 474 D C 1.229 177.641 176.300 0.188 0.000 1.061 474 D CA 0.732 54.798 54.000 0.110 0.000 0.875 474 D CB -0.591 40.293 40.800 0.140 0.000 0.904 474 D HN 0.377 nan 8.370 nan 0.000 0.525 475 G N 0.260 109.124 108.800 0.105 0.000 2.199 475 G HA2 -0.294 3.659 3.960 -0.011 0.000 0.254 475 G HA3 -0.294 3.659 3.960 -0.011 0.000 0.254 475 G C 0.375 175.257 174.900 -0.031 0.000 0.982 475 G CA 0.347 45.514 45.100 0.112 0.000 0.632 475 G HN 0.848 nan 8.290 nan 0.000 0.529 476 S N -0.178 115.396 115.700 -0.211 0.000 2.531 476 S HA 0.585 5.048 4.470 -0.011 0.000 0.279 476 S C 0.235 174.652 174.600 -0.305 0.000 1.305 476 S CA -0.130 57.712 58.200 -0.595 0.000 1.058 476 S CB 2.252 65.130 63.200 -0.536 0.000 0.899 476 S HN 1.036 nan 8.310 nan 0.000 0.493 477 V N 3.865 123.604 119.914 -0.292 0.000 2.407 477 V HA 0.268 4.381 4.120 -0.011 0.000 0.278 477 V C 0.755 176.791 176.094 -0.097 0.000 1.037 477 V CA -0.731 61.465 62.300 -0.173 0.000 0.900 477 V CB 1.206 32.942 31.823 -0.145 0.000 0.983 477 V HN 1.046 nan 8.190 nan 0.000 0.459 478 T N 8.033 122.542 114.554 -0.074 0.000 2.908 478 T HA 0.102 4.445 4.350 -0.011 0.000 0.301 478 T C -2.208 172.536 174.700 0.074 0.000 1.019 478 T CA -0.261 61.826 62.100 -0.021 0.000 1.152 478 T CB 0.285 69.135 68.868 -0.031 0.000 0.966 478 T HN 0.508 nan 8.240 nan 0.000 0.540 479 P HA 0.171 nan 4.420 nan 0.000 0.263 479 P C -0.667 176.704 177.300 0.118 0.000 1.175 479 P CA 0.124 63.236 63.100 0.019 0.000 0.761 479 P CB 0.151 31.842 31.700 -0.015 0.000 0.794 480 F N -1.310 118.581 119.950 -0.100 0.000 2.685 480 F HA 0.645 5.165 4.527 -0.011 0.000 0.315 480 F C -0.917 174.846 175.800 -0.062 0.000 1.126 480 F CA -1.050 56.905 58.000 -0.074 0.000 0.950 480 F CB 0.638 39.587 39.000 -0.084 0.000 1.360 480 F HN -0.041 nan 8.300 nan 0.000 0.469 481 T N 2.985 117.592 114.554 0.090 0.000 2.767 481 T HA 0.489 4.833 4.350 -0.011 0.000 0.288 481 T C -0.980 173.789 174.700 0.116 0.000 0.963 481 T CA -0.246 61.852 62.100 -0.002 0.000 1.019 481 T CB 1.089 69.981 68.868 0.039 0.000 0.923 481 T HN 0.611 nan 8.240 nan 0.000 0.468 482 L N 5.111 126.337 121.223 0.004 0.000 2.259 482 L HA 0.379 4.713 4.340 -0.011 0.000 0.288 482 L C 0.771 177.706 176.870 0.108 0.000 1.051 482 L CA -0.108 54.807 54.840 0.125 0.000 0.824 482 L CB 0.144 42.245 42.059 0.070 0.000 1.206 482 L HN 0.785 nan 8.230 nan 0.000 0.429 483 S N 3.743 119.510 115.700 0.111 0.000 2.608 483 S HA 0.648 5.112 4.470 -0.011 0.000 0.261 483 S C 0.490 175.141 174.600 0.085 0.000 1.314 483 S CA -0.438 57.806 58.200 0.074 0.000 0.992 483 S CB 0.726 63.967 63.200 0.067 0.000 0.935 483 S HN 0.933 nan 8.310 nan 0.000 0.564 484 A N 0.456 123.310 122.820 0.056 0.000 2.548 484 A HA 0.488 4.801 4.320 -0.011 0.000 0.247 484 A C 1.561 179.200 177.584 0.091 0.000 1.067 484 A CA 0.106 52.185 52.037 0.070 0.000 0.757 484 A CB -1.653 17.372 19.000 0.041 0.000 0.996 484 A HN 2.440 nan 8.150 nan 0.000 0.504 485 G N 1.438 110.310 108.800 0.121 0.000 2.168 485 G HA2 -0.282 3.671 3.960 -0.011 0.000 0.263 485 G HA3 -0.282 3.671 3.960 -0.011 0.000 0.263 485 G C 0.204 175.175 174.900 0.118 0.000 0.977 485 G CA 0.654 45.831 45.100 0.127 0.000 0.659 485 G HN 1.168 nan 8.290 nan 0.000 0.533 486 E N -0.046 120.224 120.200 0.117 0.000 2.384 486 E HA 0.424 4.768 4.350 -0.011 0.000 0.266 486 E C -0.080 176.572 176.600 0.088 0.000 1.012 486 E CA -0.305 56.153 56.400 0.097 0.000 0.901 486 E CB 0.694 30.462 29.700 0.113 0.000 0.967 486 E HN 0.181 nan 8.360 nan 0.000 0.435 487 V N 3.020 122.954 119.914 0.032 0.000 2.588 487 V HA 0.700 4.813 4.120 -0.011 0.000 0.304 487 V C -0.445 175.560 176.094 -0.147 0.000 1.042 487 V CA -0.601 61.683 62.300 -0.026 0.000 0.877 487 V CB 1.406 33.221 31.823 -0.014 0.000 0.996 487 V HN 0.801 nan 8.190 nan 0.000 0.425 488 A N 4.050 126.671 122.820 -0.330 0.000 2.414 488 A HA 0.941 5.255 4.320 -0.011 0.000 0.306 488 A C -1.302 175.665 177.584 -1.028 0.000 1.054 488 A CA -0.611 51.016 52.037 -0.684 0.000 0.724 488 A CB 2.135 20.642 19.000 -0.821 0.000 1.267 488 A HN 0.696 nan 8.150 nan 0.000 0.418 489 V N 2.552 121.875 119.914 -0.985 0.000 2.531 489 V HA 0.548 4.661 4.120 -0.011 0.000 0.301 489 V C -1.094 174.570 176.094 -0.715 0.000 1.034 489 V CA -0.501 61.351 62.300 -0.746 0.000 0.865 489 V CB 1.376 32.979 31.823 -0.367 0.000 0.995 489 V HN 0.846 nan 8.190 nan 0.000 0.424 490 W N 3.948 125.180 121.300 -0.113 0.000 2.736 490 W HA 0.748 5.402 4.660 -0.011 0.000 0.335 490 W C -0.287 176.167 176.519 -0.107 0.000 1.059 490 W CA -0.627 56.661 57.345 -0.094 0.000 1.226 490 W CB 2.101 31.452 29.460 -0.181 0.000 1.416 490 W HN 0.701 nan 8.180 nan 0.000 0.505 491 Q N 1.276 121.198 119.800 0.204 0.000 2.462 491 Q HA 0.629 4.962 4.340 -0.011 0.000 0.285 491 Q C -2.338 173.835 176.000 0.288 0.000 1.035 491 Q CA -1.059 54.830 55.803 0.143 0.000 0.799 491 Q CB 3.414 32.200 28.738 0.080 0.000 1.452 491 Q HN 0.415 nan 8.270 nan 0.000 0.404 492 Y N 0.749 121.109 120.300 0.100 0.000 2.361 492 Y HA 0.554 5.097 4.550 -0.011 0.000 0.328 492 Y C -1.931 174.024 175.900 0.091 0.000 1.044 492 Y CA -0.714 57.477 58.100 0.151 0.000 1.085 492 Y CB 2.035 40.597 38.460 0.170 0.000 1.194 492 Y HN 0.596 nan 8.280 nan 0.000 0.438 493 V N 6.089 125.699 119.914 -0.506 0.000 2.384 493 V HA 0.383 4.496 4.120 -0.011 0.000 0.287 493 V C -0.225 175.502 176.094 -0.611 0.000 1.020 493 V CA -0.720 61.362 62.300 -0.364 0.000 0.850 493 V CB 1.399 33.106 31.823 -0.195 0.000 0.987 493 V HN 0.877 nan 8.190 nan 0.000 0.436 494 S N 3.048 118.574 115.700 -0.289 0.000 2.585 494 S HA 0.142 4.605 4.470 -0.011 0.000 0.273 494 S C 1.262 175.810 174.600 -0.086 0.000 1.339 494 S CA 0.069 58.198 58.200 -0.118 0.000 1.028 494 S CB 1.264 64.540 63.200 0.126 0.000 0.906 494 S HN 0.981 nan 8.310 nan 0.000 0.528 495 S N 1.315 116.998 115.700 -0.029 0.000 2.496 495 S HA 0.172 4.635 4.470 -0.011 0.000 0.224 495 S C 0.523 175.125 174.600 0.004 0.000 0.996 495 S CA -0.147 58.042 58.200 -0.018 0.000 0.927 495 S CB -0.308 62.894 63.200 0.003 0.000 0.774 495 S HN 0.619 nan 8.310 nan 0.000 0.524 496 S N 1.418 117.133 115.700 0.025 0.000 2.595 496 S HA 0.615 5.079 4.470 -0.011 0.000 0.281 496 S C -1.135 173.480 174.600 0.026 0.000 1.117 496 S CA -0.949 57.266 58.200 0.025 0.000 0.873 496 S CB 1.485 64.705 63.200 0.033 0.000 1.108 496 S HN 0.395 nan 8.310 nan 0.000 0.477 497 N N 0.609 119.317 118.700 0.014 0.000 2.287 497 N HA 0.349 5.083 4.740 -0.011 0.000 0.289 497 N C -1.170 174.343 175.510 0.004 0.000 1.066 497 N CA -0.444 52.605 53.050 -0.002 0.000 0.841 497 N CB 2.148 40.620 38.487 -0.025 0.000 1.599 497 N HN 0.442 nan 8.380 nan 0.000 0.476 498 S N 1.800 117.499 115.700 -0.002 0.000 2.589 498 S HA 0.254 4.717 4.470 -0.011 0.000 0.265 498 S C -2.218 172.395 174.600 0.022 0.000 1.342 498 S CA -0.663 57.547 58.200 0.016 0.000 1.005 498 S CB 0.258 63.460 63.200 0.005 0.000 0.909 498 S HN 0.409 nan 8.310 nan 0.000 0.555 499 P HA 0.199 nan 4.420 nan 0.000 0.267 499 P C -1.270 176.107 177.300 0.128 0.000 1.209 499 P CA 0.252 63.471 63.100 0.198 0.000 0.763 499 P CB 0.020 31.878 31.700 0.263 0.000 0.816 500 L N 4.691 125.994 121.223 0.133 0.000 2.439 500 L HA 0.476 4.809 4.340 -0.011 0.000 0.270 500 L C 0.240 177.294 176.870 0.307 0.000 0.972 500 L CA -0.719 54.120 54.840 -0.002 0.000 0.836 500 L CB 2.064 43.782 42.059 -0.568 0.000 1.255 500 L HN 0.239 nan 8.230 nan 0.000 0.404 501 I N 2.141 122.898 120.570 0.312 0.000 2.325 501 I HA 0.264 4.427 4.170 -0.011 0.000 0.291 501 I C 1.121 177.429 176.117 0.319 0.000 1.019 501 I CA 0.142 61.621 61.300 0.299 0.000 1.302 501 I CB 1.615 39.690 38.000 0.125 0.000 1.401 501 I HN 0.832 nan 8.210 nan 0.000 0.485 502 G N 5.007 113.795 108.800 -0.020 0.000 2.719 502 G HA2 0.025 3.978 3.960 -0.011 0.000 0.211 502 G HA3 0.025 3.978 3.960 -0.011 0.000 0.211 502 G C 0.374 175.064 174.900 -0.350 0.000 1.140 502 G CA 0.308 45.146 45.100 -0.436 0.000 0.790 502 G HN 0.625 nan 8.290 nan 0.000 0.529 503 H N -1.020 117.666 119.070 -0.641 0.000 3.112 503 H HA 0.446 4.995 4.556 -0.011 0.000 0.347 503 H C -2.094 172.757 175.328 -0.795 0.000 1.188 503 H CA -0.280 55.389 56.048 -0.632 0.000 1.240 503 H CB 2.248 31.842 29.762 -0.280 0.000 1.920 503 H HN -0.111 nan 8.280 nan 0.000 0.535 504 V N 2.849 121.930 119.914 -1.388 0.000 2.638 504 V HA 0.692 4.805 4.120 -0.011 0.000 0.306 504 V C 0.202 175.939 176.094 -0.596 0.000 1.052 504 V CA -0.238 61.608 62.300 -0.758 0.000 0.885 504 V CB 1.766 33.204 31.823 -0.642 0.000 0.999 504 V HN 0.875 nan 8.190 nan 0.000 0.424 505 G N 4.360 113.049 108.800 -0.186 0.000 2.706 505 G HA2 0.760 4.714 3.960 -0.011 0.000 0.297 505 G HA3 0.760 4.714 3.960 -0.011 0.000 0.297 505 G C -3.314 171.580 174.900 -0.009 0.000 1.403 505 G CA -1.330 43.752 45.100 -0.029 0.000 0.954 505 G HN 0.483 nan 8.290 nan 0.000 0.500 506 P HA 0.161 nan 4.420 nan 0.000 0.273 506 P C 0.941 178.165 177.300 -0.126 0.000 1.250 506 P CA 0.016 63.086 63.100 -0.050 0.000 0.793 506 P CB 0.940 32.615 31.700 -0.042 0.000 1.011 507 T N -3.985 110.439 114.554 -0.217 0.000 3.060 507 T HA 0.255 4.598 4.350 -0.011 0.000 0.249 507 T C 0.744 175.381 174.700 -0.104 0.000 1.079 507 T CA 0.150 62.077 62.100 -0.290 0.000 1.013 507 T CB -0.257 68.132 68.868 -0.798 0.000 0.975 507 T HN 0.345 nan 8.240 nan 0.000 0.518 508 M N 1.748 121.302 119.600 -0.076 0.000 2.142 508 M HA 0.538 5.011 4.480 -0.011 0.000 0.299 508 M C -1.102 175.183 176.300 -0.025 0.000 0.960 508 M CA -0.221 55.061 55.300 -0.029 0.000 0.920 508 M CB 1.977 34.546 32.600 -0.052 0.000 1.541 508 M HN 0.192 nan 8.290 nan 0.000 0.429 509 T N 3.362 117.919 114.554 0.005 0.000 2.647 509 T HA 0.751 5.094 4.350 -0.011 0.000 0.295 509 T C -2.024 172.674 174.700 -0.003 0.000 1.126 509 T CA -0.602 61.498 62.100 -0.001 0.000 1.040 509 T CB 1.709 70.590 68.868 0.021 0.000 1.472 509 T HN 0.825 nan 8.240 nan 0.000 0.500 510 K N -0.012 120.373 120.400 -0.025 0.000 2.578 510 K HA 0.768 5.082 4.320 -0.011 0.000 0.287 510 K C -0.916 175.634 176.600 -0.083 0.000 1.010 510 K CA -1.033 55.227 56.287 -0.044 0.000 0.889 510 K CB 1.110 33.590 32.500 -0.032 0.000 1.514 510 K HN 0.770 nan 8.250 nan 0.000 0.424 511 A N 0.279 123.036 122.820 -0.106 0.000 2.584 511 A HA 0.372 4.685 4.320 -0.011 0.000 0.239 511 A C 1.331 178.851 177.584 -0.107 0.000 1.043 511 A CA 1.509 53.462 52.037 -0.140 0.000 0.756 511 A CB -1.397 17.530 19.000 -0.123 0.000 0.963 511 A HN 1.638 nan 8.150 nan 0.000 0.511 512 G N 1.354 110.081 108.800 -0.121 0.000 2.241 512 G HA2 -0.238 3.715 3.960 -0.011 0.000 0.244 512 G HA3 -0.238 3.715 3.960 -0.011 0.000 0.244 512 G C 0.358 175.217 174.900 -0.068 0.000 0.998 512 G CA 0.603 45.651 45.100 -0.086 0.000 0.621 512 G HN 0.961 nan 8.290 nan 0.000 0.519 513 Q N 0.415 120.175 119.800 -0.066 0.000 2.396 513 Q HA 0.559 4.892 4.340 -0.011 0.000 0.221 513 Q C -0.257 175.723 176.000 -0.033 0.000 1.025 513 Q CA 0.395 56.171 55.803 -0.046 0.000 0.946 513 Q CB 0.722 29.437 28.738 -0.038 0.000 1.224 513 Q HN 0.217 nan 8.270 nan 0.000 0.539 514 T N 1.853 116.395 114.554 -0.019 0.000 2.771 514 T HA 0.529 4.872 4.350 -0.011 0.000 0.281 514 T C -0.174 174.533 174.700 0.010 0.000 0.982 514 T CA -0.555 61.544 62.100 -0.001 0.000 0.978 514 T CB 0.271 69.132 68.868 -0.012 0.000 0.930 514 T HN 0.440 nan 8.240 nan 0.000 0.447 515 I N -0.001 120.591 120.570 0.037 0.000 2.750 515 I HA 0.772 4.935 4.170 -0.011 0.000 0.308 515 I C -0.481 175.623 176.117 -0.021 0.000 1.016 515 I CA -0.733 60.576 61.300 0.016 0.000 1.098 515 I CB 2.085 40.108 38.000 0.039 0.000 1.279 515 I HN 0.328 nan 8.210 nan 0.000 0.454 516 T N 5.731 120.257 114.554 -0.045 0.000 2.770 516 T HA 0.593 4.936 4.350 -0.011 0.000 0.283 516 T C -0.245 174.389 174.700 -0.109 0.000 0.988 516 T CA -0.191 61.872 62.100 -0.062 0.000 0.957 516 T CB 0.954 69.807 68.868 -0.025 0.000 0.930 516 T HN 0.384 nan 8.240 nan 0.000 0.443 517 I N 3.546 124.020 120.570 -0.160 0.000 2.330 517 I HA 0.375 4.538 4.170 -0.011 0.000 0.289 517 I C -0.342 175.733 176.117 -0.071 0.000 1.001 517 I CA -0.680 60.489 61.300 -0.219 0.000 1.193 517 I CB 1.231 39.005 38.000 -0.376 0.000 1.345 517 I HN 0.454 nan 8.210 nan 0.000 0.461 518 D N 4.643 125.013 120.400 -0.051 0.000 2.342 518 D HA 0.776 5.410 4.640 -0.011 0.000 0.243 518 D C 0.210 176.449 176.300 -0.102 0.000 1.019 518 D CA -0.053 53.937 54.000 -0.017 0.000 0.864 518 D CB 2.540 43.286 40.800 -0.091 0.000 1.315 518 D HN 0.765 nan 8.370 nan 0.000 0.468 519 G N 0.782 109.472 108.800 -0.183 0.000 2.552 519 G HA2 0.241 4.194 3.960 -0.011 0.000 0.137 519 G HA3 0.241 4.194 3.960 -0.011 0.000 0.137 519 G C -1.253 173.413 174.900 -0.390 0.000 1.135 519 G CA -0.546 44.417 45.100 -0.228 0.000 1.047 519 G HN 0.305 nan 8.290 nan 0.000 0.501 520 R N -0.780 119.442 120.500 -0.463 0.000 2.774 520 R HA 0.626 4.959 4.340 -0.011 0.000 0.272 520 R C 0.514 176.500 176.300 -0.523 0.000 1.000 520 R CA -0.067 55.778 56.100 -0.424 0.000 0.906 520 R CB 1.155 31.451 30.300 -0.007 0.000 1.227 520 R HN 2.214 nan 8.270 nan 0.000 0.468 521 G N 0.977 109.594 108.800 -0.305 0.000 2.160 521 G HA2 -0.270 3.684 3.960 -0.011 0.000 0.251 521 G HA3 -0.270 3.684 3.960 -0.011 0.000 0.251 521 G C 0.206 175.182 174.900 0.125 0.000 1.008 521 G CA 0.308 45.368 45.100 -0.067 0.000 0.724 521 G HN 0.423 nan 8.290 nan 0.000 0.514 522 F N 0.919 120.908 119.950 0.065 0.000 2.558 522 F HA 0.396 4.916 4.527 -0.011 0.000 0.298 522 F C 2.011 178.052 175.800 0.400 0.000 1.119 522 F CA 0.794 58.878 58.000 0.139 0.000 1.451 522 F CB -0.759 38.132 39.000 -0.182 0.000 1.091 522 F HN 1.148 nan 8.300 nan 0.000 0.563 523 G N 0.093 109.144 108.800 0.417 0.000 2.781 523 G HA2 -0.198 3.755 3.960 -0.011 0.000 0.683 523 G HA3 -0.198 3.755 3.960 -0.011 0.000 0.683 523 G C 0.716 175.883 174.900 0.445 0.000 1.390 523 G CA -0.025 45.286 45.100 0.352 0.000 0.850 523 G HN 0.385 nan 8.290 nan 0.000 0.557 524 T N -3.161 111.550 114.554 0.263 0.000 3.057 524 T HA 0.370 4.714 4.350 -0.011 0.000 0.254 524 T C 1.340 176.138 174.700 0.163 0.000 1.094 524 T CA 1.622 63.868 62.100 0.244 0.000 1.088 524 T CB -0.135 68.809 68.868 0.128 0.000 0.934 524 T HN 1.871 nan 8.240 nan 0.000 0.497 525 T N 2.065 116.623 114.554 0.006 0.000 2.845 525 T HA 0.547 4.891 4.350 -0.011 0.000 0.288 525 T C 0.213 174.519 174.700 -0.657 0.000 0.980 525 T CA -0.639 61.345 62.100 -0.193 0.000 1.071 525 T CB 1.304 70.087 68.868 -0.142 0.000 0.941 525 T HN 0.370 nan 8.240 nan 0.000 0.487 526 S N 2.358 117.629 115.700 -0.715 0.000 2.537 526 S HA 0.499 4.962 4.470 -0.011 0.000 0.286 526 S C 0.839 174.722 174.600 -1.195 0.000 1.299 526 S CA -0.333 57.131 58.200 -1.228 0.000 1.067 526 S CB 0.606 63.533 63.200 -0.454 0.000 0.864 526 S HN 1.131 nan 8.310 nan 0.000 0.494 527 G N 1.619 109.247 108.800 -1.953 0.000 3.434 527 G HA2 0.513 4.467 3.960 -0.011 0.000 0.197 527 G HA3 0.513 4.467 3.960 -0.011 0.000 0.197 527 G C -0.828 173.825 174.900 -0.412 0.000 1.559 527 G CA -0.502 44.059 45.100 -0.899 0.000 0.852 527 G HN 0.777 nan 8.290 nan 0.000 0.682 528 Q N -0.928 118.861 119.800 -0.017 0.000 2.359 528 Q HA 0.582 4.915 4.340 -0.011 0.000 0.274 528 Q C -1.851 174.293 176.000 0.240 0.000 1.074 528 Q CA -0.561 55.318 55.803 0.127 0.000 0.810 528 Q CB 2.893 31.663 28.738 0.054 0.000 1.342 528 Q HN 0.272 nan 8.270 nan 0.000 0.427 529 V N 4.534 124.563 119.914 0.191 0.000 2.448 529 V HA 0.484 4.597 4.120 -0.011 0.000 0.295 529 V C -0.630 175.528 176.094 0.107 0.000 1.025 529 V CA -0.630 61.718 62.300 0.080 0.000 0.859 529 V CB 1.577 33.415 31.823 0.024 0.000 0.988 529 V HN 0.690 nan 8.190 nan 0.000 0.431 530 L N 4.832 126.067 121.223 0.021 0.000 2.322 530 L HA 0.582 4.915 4.340 -0.011 0.000 0.281 530 L C -1.085 175.790 176.870 0.009 0.000 1.014 530 L CA -0.361 54.537 54.840 0.096 0.000 0.815 530 L CB 1.638 43.742 42.059 0.075 0.000 1.247 530 L HN 0.468 nan 8.230 nan 0.000 0.421 531 F N 2.370 122.331 119.950 0.019 0.000 2.303 531 F HA 0.500 5.020 4.527 -0.011 0.000 0.368 531 F C 1.205 177.112 175.800 0.179 0.000 1.105 531 F CA 0.090 58.113 58.000 0.038 0.000 1.153 531 F CB 0.704 39.606 39.000 -0.163 0.000 1.362 531 F HN 0.779 nan 8.300 nan 0.000 0.511 532 G N 2.241 111.251 108.800 0.350 0.000 2.677 532 G HA2 -0.349 3.604 3.960 -0.011 0.000 0.321 532 G HA3 -0.349 3.604 3.960 -0.011 0.000 0.321 532 G C 1.104 176.111 174.900 0.178 0.000 1.181 532 G CA 0.566 45.833 45.100 0.277 0.000 0.965 532 G HN 0.482 nan 8.290 nan 0.000 0.548 533 S N 0.817 116.624 115.700 0.177 0.000 2.629 533 S HA 0.428 4.891 4.470 -0.011 0.000 0.236 533 S C 0.259 174.929 174.600 0.116 0.000 1.010 533 S CA 0.820 59.092 58.200 0.120 0.000 0.981 533 S CB 0.848 64.103 63.200 0.093 0.000 0.919 533 S HN 0.769 nan 8.310 nan 0.000 0.514 534 T N 3.066 117.709 114.554 0.147 0.000 2.749 534 T HA 0.603 4.947 4.350 -0.011 0.000 0.287 534 T C 0.130 174.915 174.700 0.141 0.000 0.970 534 T CA -0.392 61.770 62.100 0.104 0.000 0.980 534 T CB 1.356 70.253 68.868 0.050 0.000 0.924 534 T HN 0.268 nan 8.240 nan 0.000 0.456 535 A N 3.092 125.970 122.820 0.097 0.000 2.462 535 A HA 0.636 4.949 4.320 -0.011 0.000 0.243 535 A C 0.902 178.538 177.584 0.086 0.000 1.076 535 A CA -0.333 51.774 52.037 0.118 0.000 0.773 535 A CB 0.047 19.089 19.000 0.070 0.000 1.010 535 A HN 0.932 nan 8.150 nan 0.000 0.493 536 G N 0.305 109.208 108.800 0.171 0.000 2.491 536 G HA2 0.526 4.480 3.960 -0.011 0.000 0.327 536 G HA3 0.526 4.480 3.960 -0.011 0.000 0.327 536 G C -0.248 174.692 174.900 0.067 0.000 1.189 536 G CA -0.364 44.772 45.100 0.060 0.000 0.956 536 G HN 0.694 nan 8.290 nan 0.000 0.491 537 T N 1.992 116.555 114.554 0.016 0.000 2.749 537 T HA 0.246 4.589 4.350 -0.011 0.000 0.295 537 T C 0.604 175.342 174.700 0.062 0.000 0.936 537 T CA -0.228 61.888 62.100 0.026 0.000 1.060 537 T CB 0.680 69.544 68.868 -0.007 0.000 0.904 537 T HN 0.158 nan 8.240 nan 0.000 0.500 538 I N 4.598 125.221 120.570 0.087 0.000 2.533 538 I HA 0.030 4.193 4.170 -0.011 0.000 0.284 538 I C 1.407 177.579 176.117 0.090 0.000 1.109 538 I CA 0.193 61.572 61.300 0.131 0.000 1.412 538 I CB 0.675 38.794 38.000 0.200 0.000 1.396 538 I HN 0.474 nan 8.210 nan 0.000 0.543 539 V N 5.003 124.966 119.914 0.081 0.000 2.492 539 V HA 0.013 4.126 4.120 -0.011 0.000 0.241 539 V C 0.856 176.991 176.094 0.069 0.000 1.041 539 V CA 1.187 63.519 62.300 0.053 0.000 1.057 539 V CB 0.137 31.976 31.823 0.027 0.000 0.711 539 V HN 0.921 nan 8.190 nan 0.000 0.468 540 S N -1.882 113.873 115.700 0.092 0.000 2.550 540 S HA 0.545 5.008 4.470 -0.011 0.000 0.270 540 S C -1.919 172.795 174.600 0.190 0.000 1.145 540 S CA -0.667 57.604 58.200 0.119 0.000 0.852 540 S CB 2.469 65.706 63.200 0.062 0.000 1.119 540 S HN 0.316 nan 8.310 nan 0.000 0.465 541 W N 2.040 123.350 121.300 0.016 0.000 2.830 541 W HA 0.576 5.229 4.660 -0.011 0.000 0.335 541 W C -2.053 174.500 176.519 0.057 0.000 1.043 541 W CA -0.367 56.998 57.345 0.035 0.000 1.239 541 W CB 1.742 31.216 29.460 0.023 0.000 1.378 541 W HN 0.978 nan 8.180 nan 0.000 0.456 542 D N 1.840 122.265 120.400 0.042 0.000 2.579 542 D HA 0.076 4.709 4.640 -0.011 0.000 0.257 542 D C 0.423 176.767 176.300 0.074 0.000 1.176 542 D CA -0.512 53.562 54.000 0.124 0.000 0.914 542 D CB 1.905 42.739 40.800 0.056 0.000 1.431 542 D HN 0.279 nan 8.370 nan 0.000 0.454 543 D N -1.094 119.359 120.400 0.087 0.000 2.218 543 D HA -0.135 4.499 4.640 -0.011 0.000 0.204 543 D C 1.474 177.610 176.300 -0.274 0.000 0.976 543 D CA 1.673 55.681 54.000 0.013 0.000 0.853 543 D CB 0.306 41.107 40.800 0.001 0.000 0.939 543 D HN 0.408 nan 8.370 nan 0.000 0.481 544 T N -3.657 110.775 114.554 -0.205 0.000 3.010 544 T HA 0.194 4.537 4.350 -0.011 0.000 0.257 544 T C 0.387 175.024 174.700 -0.106 0.000 1.020 544 T CA -0.531 61.379 62.100 -0.316 0.000 0.938 544 T CB 0.410 69.183 68.868 -0.159 0.000 1.049 544 T HN 0.102 nan 8.240 nan 0.000 0.522 545 E N 0.438 120.672 120.200 0.055 0.000 2.321 545 E HA 0.545 4.888 4.350 -0.011 0.000 0.281 545 E C -2.060 174.487 176.600 -0.088 0.000 0.910 545 E CA -0.744 55.690 56.400 0.057 0.000 0.770 545 E CB 2.469 32.159 29.700 -0.017 0.000 1.225 545 E HN 0.092 nan 8.360 nan 0.000 0.417 546 V N 4.091 123.866 119.914 -0.231 0.000 2.604 546 V HA 0.467 4.580 4.120 -0.011 0.000 0.305 546 V C -0.520 175.456 176.094 -0.198 0.000 1.043 546 V CA -0.844 61.228 62.300 -0.381 0.000 0.888 546 V CB 1.933 33.246 31.823 -0.850 0.000 0.995 546 V HN 0.591 nan 8.190 nan 0.000 0.429 547 K N 2.765 123.110 120.400 -0.092 0.000 2.182 547 K HA 0.814 5.127 4.320 -0.011 0.000 0.262 547 K C -1.327 175.276 176.600 0.006 0.000 0.957 547 K CA -0.648 55.615 56.287 -0.040 0.000 0.842 547 K CB 2.471 34.961 32.500 -0.017 0.000 1.099 547 K HN 0.420 nan 8.250 nan 0.000 0.438 548 V N 2.855 122.786 119.914 0.029 0.000 2.888 548 V HA 0.304 4.417 4.120 -0.011 0.000 0.309 548 V C -1.441 174.704 176.094 0.087 0.000 1.114 548 V CA -0.958 61.394 62.300 0.087 0.000 0.940 548 V CB 2.008 33.920 31.823 0.147 0.000 1.021 548 V HN 0.598 nan 8.190 nan 0.000 0.426 549 K N 4.202 124.626 120.400 0.041 0.000 2.322 549 K HA 0.390 4.703 4.320 -0.011 0.000 0.283 549 K C -0.494 176.028 176.600 -0.130 0.000 1.042 549 K CA -0.226 56.044 56.287 -0.028 0.000 0.958 549 K CB 1.603 34.075 32.500 -0.047 0.000 0.984 549 K HN 0.561 nan 8.250 nan 0.000 0.473 550 V N 6.572 126.361 119.914 -0.209 0.000 2.529 550 V HA 0.039 4.152 4.120 -0.011 0.000 0.292 550 V C -1.532 174.248 176.094 -0.523 0.000 1.028 550 V CA -1.049 60.926 62.300 -0.542 0.000 1.074 550 V CB 0.424 32.053 31.823 -0.324 0.000 0.958 550 V HN 0.670 nan 8.190 nan 0.000 0.481 551 P HA 0.194 nan 4.420 nan 0.000 0.276 551 P C -0.179 176.907 177.300 -0.356 0.000 1.261 551 P CA -0.564 62.273 63.100 -0.437 0.000 0.800 551 P CB 0.752 32.202 31.700 -0.418 0.000 1.066 552 S N -0.133 115.435 115.700 -0.221 0.000 3.811 552 S HA 0.179 4.642 4.470 -0.011 0.000 0.205 552 S C 0.723 175.243 174.600 -0.134 0.000 1.445 552 S CA -0.612 57.494 58.200 -0.155 0.000 1.097 552 S CB -1.503 61.638 63.200 -0.097 0.000 1.350 552 S HN 0.290 nan 8.310 nan 0.000 0.471 553 V N 0.009 119.799 119.914 -0.205 0.000 3.133 553 V HA 0.467 4.580 4.120 -0.011 0.000 0.305 553 V C 0.791 176.875 176.094 -0.018 0.000 1.084 553 V CA -1.164 61.048 62.300 -0.146 0.000 1.089 553 V CB -0.047 31.534 31.823 -0.403 0.000 1.073 553 V HN 0.532 nan 8.190 nan 0.000 0.477 554 T N 0.792 115.416 114.554 0.116 0.000 2.871 554 T HA 0.260 4.603 4.350 -0.011 0.000 0.296 554 T C -2.278 172.556 174.700 0.223 0.000 0.998 554 T CA -0.749 61.440 62.100 0.149 0.000 1.162 554 T CB -0.048 68.912 68.868 0.152 0.000 0.947 554 T HN 0.779 nan 8.240 nan 0.000 0.536 555 P HA 0.443 nan 4.420 nan 0.000 0.265 555 P C 0.714 178.134 177.300 0.201 0.000 1.187 555 P CA 0.653 63.847 63.100 0.158 0.000 0.766 555 P CB 0.327 32.077 31.700 0.084 0.000 0.820 556 G N 1.185 110.133 108.800 0.247 0.000 2.352 556 G HA2 0.091 4.045 3.960 -0.011 0.000 0.283 556 G HA3 0.091 4.045 3.960 -0.011 0.000 0.283 556 G C -1.651 173.372 174.900 0.204 0.000 1.308 556 G CA -0.869 44.324 45.100 0.154 0.000 0.892 556 G HN 0.380 nan 8.290 nan 0.000 0.504 557 K N -0.282 120.133 120.400 0.024 0.000 2.143 557 K HA 0.610 4.924 4.320 -0.011 0.000 0.272 557 K C -1.440 175.072 176.600 -0.148 0.000 1.001 557 K CA -0.263 56.060 56.287 0.060 0.000 0.915 557 K CB 1.391 33.908 32.500 0.029 0.000 1.047 557 K HN 0.423 nan 8.250 nan 0.000 0.458 558 Y N 0.668 121.035 120.300 0.111 0.000 2.477 558 Y HA 0.247 4.790 4.550 -0.011 0.000 0.347 558 Y C -0.190 175.757 175.900 0.077 0.000 0.981 558 Y CA -1.161 57.006 58.100 0.112 0.000 1.033 558 Y CB 1.772 40.348 38.460 0.193 0.000 1.245 558 Y HN 0.504 nan 8.280 nan 0.000 0.455 559 N N 3.052 121.852 118.700 0.168 0.000 2.422 559 N HA 0.327 5.060 4.740 -0.011 0.000 0.266 559 N C -0.956 174.590 175.510 0.059 0.000 1.007 559 N CA -0.360 52.748 53.050 0.097 0.000 0.941 559 N CB 1.139 39.656 38.487 0.049 0.000 1.115 559 N HN 0.403 nan 8.380 nan 0.000 0.492 560 I N 1.316 121.888 120.570 0.002 0.000 2.365 560 I HA 0.268 4.431 4.170 -0.011 0.000 0.291 560 I C 0.888 176.958 176.117 -0.079 0.000 1.004 560 I CA -0.369 60.839 61.300 -0.154 0.000 1.311 560 I CB 0.413 38.257 38.000 -0.260 0.000 1.401 560 I HN 0.478 nan 8.210 nan 0.000 0.491 561 S N 6.785 122.422 115.700 -0.106 0.000 2.627 561 S HA 0.842 5.305 4.470 -0.011 0.000 0.283 561 S C -0.942 173.603 174.600 -0.093 0.000 1.127 561 S CA -0.861 57.302 58.200 -0.061 0.000 0.863 561 S CB 2.679 65.875 63.200 -0.006 0.000 1.121 561 S HN 0.542 nan 8.310 nan 0.000 0.479 562 L N 0.446 121.624 121.223 -0.074 0.000 2.381 562 L HA 0.709 5.042 4.340 -0.011 0.000 0.268 562 L C -1.436 175.463 176.870 0.048 0.000 0.997 562 L CA -0.561 54.236 54.840 -0.072 0.000 0.818 562 L CB 1.842 43.714 42.059 -0.312 0.000 1.310 562 L HN 0.833 nan 8.230 nan 0.000 0.416 563 K N 2.745 123.223 120.400 0.130 0.000 2.376 563 K HA 0.420 4.733 4.320 -0.011 0.000 0.257 563 K C -0.428 176.285 176.600 0.189 0.000 0.939 563 K CA -0.677 55.686 56.287 0.127 0.000 0.809 563 K CB 1.926 34.469 32.500 0.071 0.000 1.121 563 K HN 0.744 nan 8.250 nan 0.000 0.425 564 T N -1.294 113.369 114.554 0.183 0.000 2.766 564 T HA -0.029 4.314 4.350 -0.011 0.000 0.295 564 T C 1.520 176.213 174.700 -0.011 0.000 1.024 564 T CA -0.122 62.083 62.100 0.175 0.000 1.018 564 T CB 1.014 69.996 68.868 0.190 0.000 1.002 564 T HN 0.562 nan 8.240 nan 0.000 0.532 565 S N -0.038 115.597 115.700 -0.108 0.000 2.442 565 S HA -0.119 4.344 4.470 -0.011 0.000 0.236 565 S C 1.999 176.560 174.600 -0.065 0.000 1.007 565 S CA 0.888 58.998 58.200 -0.149 0.000 0.965 565 S CB -1.011 62.071 63.200 -0.197 0.000 0.773 565 S HN 0.970 nan 8.310 nan 0.000 0.504 566 S N 0.003 115.691 115.700 -0.020 0.000 2.528 566 S HA 0.482 4.945 4.470 -0.011 0.000 0.219 566 S C 1.578 176.182 174.600 0.006 0.000 0.985 566 S CA 0.449 58.647 58.200 -0.003 0.000 0.914 566 S CB -0.280 62.928 63.200 0.014 0.000 0.776 566 S HN 1.445 nan 8.310 nan 0.000 0.526 567 G N 0.611 109.419 108.800 0.012 0.000 2.184 567 G HA2 -0.015 3.938 3.960 -0.011 0.000 0.206 567 G HA3 -0.015 3.938 3.960 -0.011 0.000 0.206 567 G C 0.199 175.121 174.900 0.036 0.000 0.995 567 G CA -0.243 44.868 45.100 0.019 0.000 0.651 567 G HN 1.197 nan 8.290 nan 0.000 0.511 568 A N 0.594 123.444 122.820 0.051 0.000 2.488 568 A HA 0.635 4.948 4.320 -0.011 0.000 0.249 568 A C 0.632 178.260 177.584 0.074 0.000 1.083 568 A CA 1.290 53.363 52.037 0.060 0.000 0.768 568 A CB 0.311 19.353 19.000 0.071 0.000 1.017 568 A HN 0.759 nan 8.150 nan 0.000 0.496 569 T N 2.353 116.942 114.554 0.059 0.000 2.794 569 T HA 0.505 4.848 4.350 -0.011 0.000 0.280 569 T C 0.767 175.501 174.700 0.056 0.000 0.987 569 T CA -0.016 62.118 62.100 0.057 0.000 0.993 569 T CB 1.195 70.088 68.868 0.041 0.000 0.939 569 T HN 0.972 nan 8.240 nan 0.000 0.449 570 S N 3.446 119.182 115.700 0.061 0.000 2.641 570 S HA 0.274 4.738 4.470 -0.011 0.000 0.261 570 S C 0.527 175.153 174.600 0.044 0.000 1.257 570 S CA -0.998 57.240 58.200 0.063 0.000 0.983 570 S CB 0.176 63.422 63.200 0.077 0.000 0.990 570 S HN 0.790 nan 8.310 nan 0.000 0.572 571 N N 0.316 119.043 118.700 0.045 0.000 2.297 571 N HA 0.105 4.839 4.740 -0.011 0.000 0.232 571 N C -0.084 175.464 175.510 0.064 0.000 1.311 571 N CA -0.000 53.079 53.050 0.049 0.000 0.897 571 N CB -0.484 38.036 38.487 0.055 0.000 1.137 571 N HN 0.860 nan 8.380 nan 0.000 0.449 572 T N -2.844 111.746 114.554 0.060 0.000 2.875 572 T HA 0.301 4.644 4.350 -0.011 0.000 0.284 572 T C -0.801 173.967 174.700 0.113 0.000 0.995 572 T CA -0.727 61.413 62.100 0.067 0.000 1.060 572 T CB 0.511 69.402 68.868 0.038 0.000 0.967 572 T HN 0.490 nan 8.240 nan 0.000 0.476 573 Y N 3.234 123.531 120.300 -0.004 0.000 2.356 573 Y HA 0.424 4.967 4.550 -0.011 0.000 0.334 573 Y C -0.202 175.719 175.900 0.034 0.000 0.958 573 Y CA -0.968 57.144 58.100 0.019 0.000 1.196 573 Y CB 0.762 39.218 38.460 -0.008 0.000 1.137 573 Y HN 0.699 nan 8.280 nan 0.000 0.485 574 N N 4.176 122.813 118.700 -0.104 0.000 2.463 574 N HA 0.216 4.949 4.740 -0.011 0.000 0.270 574 N C -0.377 175.175 175.510 0.069 0.000 1.205 574 N CA -0.130 52.906 53.050 -0.024 0.000 0.974 574 N CB 0.470 38.899 38.487 -0.097 0.000 1.197 574 N HN 0.716 nan 8.380 nan 0.000 0.504 575 N N -0.561 118.195 118.700 0.094 0.000 2.815 575 N HA -0.144 4.589 4.740 -0.011 0.000 0.249 575 N C -0.937 174.777 175.510 0.340 0.000 1.114 575 N CA 0.373 53.507 53.050 0.139 0.000 0.717 575 N CB -1.033 37.433 38.487 -0.034 0.000 1.074 575 N HN 0.423 nan 8.380 nan 0.000 0.555 576 I N 1.244 121.998 120.570 0.306 0.000 2.452 576 I HA 0.068 4.231 4.170 -0.011 0.000 0.287 576 I C 1.002 177.276 176.117 0.261 0.000 1.079 576 I CA -0.049 61.410 61.300 0.266 0.000 1.387 576 I CB 0.342 38.460 38.000 0.197 0.000 1.404 576 I HN 0.037 nan 8.210 nan 0.000 0.522 577 N N 7.598 126.419 118.700 0.202 0.000 2.414 577 N HA 0.354 5.087 4.740 -0.011 0.000 0.256 577 N C -0.720 174.882 175.510 0.154 0.000 1.029 577 N CA -0.277 52.880 53.050 0.178 0.000 0.948 577 N CB 0.641 39.207 38.487 0.130 0.000 1.102 577 N HN 0.405 nan 8.380 nan 0.000 0.496 578 I N 4.712 125.400 120.570 0.196 0.000 2.307 578 I HA 0.209 4.372 4.170 -0.011 0.000 0.289 578 I C 0.379 176.552 176.117 0.094 0.000 1.021 578 I CA -0.644 60.730 61.300 0.124 0.000 1.224 578 I CB 0.738 38.794 38.000 0.094 0.000 1.376 578 I HN 0.284 nan 8.210 nan 0.000 0.470 579 L N 5.127 126.379 121.223 0.049 0.000 2.475 579 L HA 0.235 4.568 4.340 -0.011 0.000 0.253 579 L C 1.512 178.398 176.870 0.027 0.000 1.198 579 L CA -0.129 54.733 54.840 0.037 0.000 0.814 579 L CB 0.466 42.534 42.059 0.015 0.000 1.134 579 L HN 0.555 nan 8.230 nan 0.000 0.478 580 T N -0.598 113.972 114.554 0.027 0.000 3.014 580 T HA 0.198 4.542 4.350 -0.011 0.000 0.263 580 T C 0.495 175.200 174.700 0.009 0.000 1.078 580 T CA 0.767 62.880 62.100 0.022 0.000 1.135 580 T CB 0.215 69.100 68.868 0.028 0.000 0.895 580 T HN 0.847 nan 8.240 nan 0.000 0.480 581 G N 0.471 109.275 108.800 0.006 0.000 2.428 581 G HA2 0.351 4.305 3.960 -0.011 0.000 0.304 581 G HA3 0.351 4.305 3.960 -0.011 0.000 0.304 581 G C -1.829 173.068 174.900 -0.005 0.000 1.303 581 G CA -1.035 44.064 45.100 -0.002 0.000 0.825 581 G HN -0.025 nan 8.290 nan 0.000 0.484 582 N N 1.095 119.790 118.700 -0.009 0.000 2.454 582 N HA 0.185 4.918 4.740 -0.011 0.000 0.254 582 N C 0.055 175.560 175.510 -0.008 0.000 1.228 582 N CA 0.136 53.177 53.050 -0.014 0.000 0.900 582 N CB 0.616 39.096 38.487 -0.013 0.000 1.089 582 N HN 0.390 nan 8.380 nan 0.000 0.449 583 Q N 1.229 121.016 119.800 -0.021 0.000 2.227 583 Q HA 0.482 4.816 4.340 -0.011 0.000 0.245 583 Q C -0.096 175.905 176.000 0.002 0.000 0.926 583 Q CA -0.259 55.538 55.803 -0.011 0.000 0.895 583 Q CB 1.771 30.485 28.738 -0.041 0.000 1.230 583 Q HN 0.421 nan 8.270 nan 0.000 0.450 584 I N 0.458 121.050 120.570 0.036 0.000 2.686 584 I HA 0.173 4.336 4.170 -0.011 0.000 0.295 584 I C -0.512 175.667 176.117 0.104 0.000 1.114 584 I CA -0.811 60.529 61.300 0.067 0.000 1.038 584 I CB 1.924 39.972 38.000 0.081 0.000 1.238 584 I HN 0.593 nan 8.210 nan 0.000 0.420 585 C N 6.732 126.115 119.300 0.138 0.000 2.303 585 C HA 0.642 5.095 4.460 -0.011 0.000 0.341 585 C C 0.113 175.226 174.990 0.205 0.000 1.244 585 C CA -0.109 59.030 59.018 0.201 0.000 1.765 585 C CB -0.473 27.453 27.740 0.311 0.000 2.379 585 C HN 0.475 nan 8.230 nan 0.000 0.530 586 V N 7.616 127.654 119.914 0.205 0.000 2.448 586 V HA 0.463 4.577 4.120 -0.011 0.000 0.295 586 V C 0.199 176.369 176.094 0.126 0.000 1.025 586 V CA -0.576 61.782 62.300 0.097 0.000 0.859 586 V CB 1.565 33.365 31.823 -0.038 0.000 0.988 586 V HN 0.819 nan 8.190 nan 0.000 0.431 587 R N 4.014 124.558 120.500 0.074 0.000 2.248 587 R HA 0.384 4.717 4.340 -0.011 0.000 0.328 587 R C -1.294 175.008 176.300 0.003 0.000 1.067 587 R CA -0.256 55.948 56.100 0.174 0.000 0.924 587 R CB 0.245 30.677 30.300 0.220 0.000 1.013 587 R HN 0.503 nan 8.270 nan 0.000 0.454 588 F N 4.087 124.114 119.950 0.128 0.000 2.404 588 F HA 0.331 4.852 4.527 -0.010 0.000 0.345 588 F C -0.074 175.819 175.800 0.155 0.000 1.110 588 F CA -0.401 57.661 58.000 0.104 0.000 1.130 588 F CB 1.737 40.827 39.000 0.150 0.000 1.129 588 F HN 0.114 nan 8.300 nan 0.000 0.500 589 V N 4.501 124.517 119.914 0.170 0.000 2.638 589 V HA 0.525 4.638 4.120 -0.011 0.000 0.306 589 V C -1.026 174.974 176.094 -0.156 0.000 1.052 589 V CA -0.909 61.362 62.300 -0.048 0.000 0.885 589 V CB 2.022 33.650 31.823 -0.326 0.000 0.999 589 V HN 0.495 nan 8.190 nan 0.000 0.424 590 V N 5.308 125.047 119.914 -0.293 0.000 2.483 590 V HA 0.597 4.710 4.120 -0.011 0.000 0.297 590 V C -0.490 175.523 176.094 -0.135 0.000 1.027 590 V CA -0.439 61.634 62.300 -0.378 0.000 0.855 590 V CB 1.876 33.092 31.823 -1.012 0.000 0.995 590 V HN 0.933 nan 8.190 nan 0.000 0.424 591 N N 4.796 123.456 118.700 -0.067 0.000 2.495 591 N HA 0.393 5.126 4.740 -0.011 0.000 0.280 591 N C 0.067 175.607 175.510 0.051 0.000 1.168 591 N CA -0.150 52.890 53.050 -0.015 0.000 0.978 591 N CB 0.669 39.146 38.487 -0.018 0.000 1.191 591 N HN 0.778 nan 8.380 nan 0.000 0.497 592 N N -1.064 117.637 118.700 0.001 0.000 2.740 592 N HA -0.181 4.552 4.740 -0.011 0.000 0.248 592 N C -1.024 174.444 175.510 -0.070 0.000 1.062 592 N CA 0.562 53.602 53.050 -0.017 0.000 0.704 592 N CB -1.365 37.156 38.487 0.057 0.000 0.968 592 N HN 0.633 nan 8.380 nan 0.000 0.547 593 A N 0.236 122.984 122.820 -0.120 0.000 2.838 593 A HA 0.503 4.817 4.320 -0.011 0.000 0.337 593 A C 0.647 178.091 177.584 -0.233 0.000 1.383 593 A CA -0.272 51.536 52.037 -0.382 0.000 0.985 593 A CB 0.247 19.033 19.000 -0.356 0.000 1.157 593 A HN 0.322 nan 8.150 nan 0.000 0.497 594 S N 1.535 117.068 115.700 -0.279 0.000 2.565 594 S HA 0.681 5.144 4.470 -0.011 0.000 0.274 594 S C 0.288 174.907 174.600 0.031 0.000 1.309 594 S CA 0.147 58.327 58.200 -0.033 0.000 1.043 594 S CB 0.948 64.131 63.200 -0.027 0.000 0.939 594 S HN 1.047 nan 8.310 nan 0.000 0.504 595 T N -1.322 113.410 114.554 0.297 0.000 2.906 595 T HA 0.694 5.037 4.350 -0.011 0.000 0.295 595 T C 0.197 174.982 174.700 0.142 0.000 1.075 595 T CA -0.642 61.552 62.100 0.157 0.000 1.005 595 T CB 0.832 69.823 68.868 0.205 0.000 1.136 595 T HN 1.217 nan 8.240 nan 0.000 0.498 596 V N -0.272 119.693 119.914 0.085 0.000 3.170 596 V HA 0.559 4.672 4.120 -0.011 0.000 0.309 596 V C 0.188 176.346 176.094 0.107 0.000 1.071 596 V CA -1.341 61.019 62.300 0.099 0.000 1.063 596 V CB 0.159 32.036 31.823 0.091 0.000 1.123 596 V HN 0.917 nan 8.190 nan 0.000 0.464 597 Y N 1.869 122.178 120.300 0.015 0.000 2.810 597 Y HA 0.405 4.948 4.550 -0.011 0.000 0.332 597 Y C 1.378 177.291 175.900 0.022 0.000 1.243 597 Y CA 1.402 59.506 58.100 0.007 0.000 1.537 597 Y CB 0.010 38.471 38.460 0.001 0.000 1.265 597 Y HN 1.530 nan 8.280 nan 0.000 0.572 598 G N 3.753 112.175 108.800 -0.628 0.000 2.179 598 G HA2 -0.314 3.639 3.960 -0.011 0.000 0.260 598 G HA3 -0.314 3.639 3.960 -0.011 0.000 0.260 598 G C 0.040 174.846 174.900 -0.155 0.000 0.977 598 G CA 0.226 45.038 45.100 -0.481 0.000 0.641 598 G HN 0.766 nan 8.290 nan 0.000 0.533 599 E N 0.515 120.672 120.200 -0.071 0.000 2.204 599 E HA 0.565 4.909 4.350 -0.011 0.000 0.276 599 E C -0.353 176.265 176.600 0.029 0.000 0.974 599 E CA -0.880 55.517 56.400 -0.004 0.000 0.815 599 E CB 0.606 30.308 29.700 0.003 0.000 1.119 599 E HN 0.280 nan 8.360 nan 0.000 0.393 600 N N 1.808 120.513 118.700 0.008 0.000 2.405 600 N HA 0.319 5.052 4.740 -0.011 0.000 0.285 600 N C -1.292 173.972 175.510 -0.410 0.000 1.262 600 N CA -0.569 52.378 53.050 -0.172 0.000 0.773 600 N CB 2.071 40.510 38.487 -0.079 0.000 1.490 600 N HN 0.168 nan 8.380 nan 0.000 0.486 601 V N 1.866 121.117 119.914 -1.106 0.000 2.509 601 V HA 0.401 4.515 4.120 -0.011 0.000 0.284 601 V C -0.904 174.885 176.094 -0.508 0.000 1.047 601 V CA -0.110 61.703 62.300 -0.811 0.000 0.952 601 V CB 0.117 31.107 31.823 -1.388 0.000 0.988 601 V HN 0.509 nan 8.190 nan 0.000 0.469 602 Y N 3.449 123.615 120.300 -0.223 0.000 2.605 602 Y HA 0.710 5.254 4.550 -0.011 0.000 0.343 602 Y C -0.324 175.537 175.900 -0.066 0.000 1.036 602 Y CA -1.198 56.790 58.100 -0.187 0.000 1.065 602 Y CB 1.838 40.160 38.460 -0.230 0.000 1.288 602 Y HN 0.515 nan 8.280 nan 0.000 0.481 603 L N 1.141 122.353 121.223 -0.019 0.000 2.322 603 L HA 0.815 5.148 4.340 -0.011 0.000 0.281 603 L C -0.447 176.247 176.870 -0.294 0.000 1.014 603 L CA 0.070 54.746 54.840 -0.273 0.000 0.815 603 L CB 1.725 43.543 42.059 -0.402 0.000 1.247 603 L HN 0.684 nan 8.230 nan 0.000 0.421 604 T N 2.931 117.285 114.554 -0.334 0.000 2.903 604 T HA 0.935 5.278 4.350 -0.011 0.000 0.299 604 T C -0.564 173.898 174.700 -0.396 0.000 1.093 604 T CA 0.058 61.994 62.100 -0.272 0.000 1.002 604 T CB 1.407 70.182 68.868 -0.156 0.000 1.127 604 T HN 1.086 nan 8.240 nan 0.000 0.488 605 G N 1.760 110.139 108.800 -0.701 0.000 2.488 605 G HA2 0.340 4.293 3.960 -0.011 0.000 0.301 605 G HA3 0.340 4.293 3.960 -0.011 0.000 0.301 605 G C -0.564 173.511 174.900 -1.374 0.000 1.339 605 G CA -0.427 43.973 45.100 -1.166 0.000 0.803 605 G HN 0.726 nan 8.290 nan 0.000 0.482 606 N N -0.783 117.335 118.700 -0.970 0.000 2.295 606 N HA 0.171 4.904 4.740 -0.011 0.000 0.221 606 N C 0.242 175.627 175.510 -0.209 0.000 1.129 606 N CA 0.361 53.059 53.050 -0.586 0.000 0.836 606 N CB 0.401 38.892 38.487 0.007 0.000 1.040 606 N HN 0.945 nan 8.380 nan 0.000 0.494 607 V N -4.761 115.028 119.914 -0.208 0.000 3.001 607 V HA 0.816 4.930 4.120 -0.011 0.000 0.314 607 V C 1.292 177.340 176.094 -0.077 0.000 1.099 607 V CA -0.652 61.600 62.300 -0.080 0.000 0.989 607 V CB 1.061 32.868 31.823 -0.025 0.000 1.040 607 V HN -0.043 nan 8.190 nan 0.000 0.434 608 A N 0.371 123.181 122.820 -0.016 0.000 1.940 608 A HA -0.132 4.181 4.320 -0.011 0.000 0.219 608 A C 1.685 179.272 177.584 0.005 0.000 1.176 608 A CA 2.220 54.260 52.037 0.005 0.000 0.631 608 A CB -0.800 18.226 19.000 0.043 0.000 0.814 608 A HN 1.048 nan 8.150 nan 0.000 0.446 609 E N -0.412 119.793 120.200 0.009 0.000 2.338 609 E HA -0.023 4.320 4.350 -0.011 0.000 0.197 609 E C 1.211 177.810 176.600 -0.002 0.000 1.007 609 E CA 0.689 57.108 56.400 0.032 0.000 0.849 609 E CB -0.126 29.604 29.700 0.049 0.000 0.774 609 E HN 0.653 nan 8.360 nan 0.000 0.506 610 L N -1.449 119.726 121.223 -0.080 0.000 2.857 610 L HA 0.339 4.672 4.340 -0.011 0.000 0.249 610 L C 1.029 177.806 176.870 -0.154 0.000 1.172 610 L CA 0.176 54.918 54.840 -0.162 0.000 0.980 610 L CB 0.380 42.267 42.059 -0.287 0.000 1.299 610 L HN 0.278 nan 8.230 nan 0.000 0.535 611 G N 0.180 108.929 108.800 -0.085 0.000 2.157 611 G HA2 -0.300 3.653 3.960 -0.011 0.000 0.248 611 G HA3 -0.300 3.653 3.960 -0.011 0.000 0.248 611 G C 0.382 175.252 174.900 -0.051 0.000 0.979 611 G CA 0.046 45.117 45.100 -0.048 0.000 0.650 611 G HN 0.414 nan 8.290 nan 0.000 0.529 612 N N -1.026 117.594 118.700 -0.133 0.000 2.705 612 N HA -0.230 4.503 4.740 -0.011 0.000 0.255 612 N C 0.887 176.437 175.510 0.068 0.000 1.008 612 N CA 1.872 54.852 53.050 -0.116 0.000 0.742 612 N CB -1.681 36.814 38.487 0.012 0.000 0.906 612 N HN 1.291 nan 8.380 nan 0.000 0.541 613 W N -2.942 118.407 121.300 0.081 0.000 2.869 613 W HA -0.256 4.397 4.660 -0.011 0.000 0.285 613 W C 0.353 176.950 176.519 0.131 0.000 1.098 613 W CA 0.321 57.753 57.345 0.146 0.000 0.571 613 W CB -1.440 28.132 29.460 0.187 0.000 2.131 613 W HN 0.268 nan 8.180 nan 0.000 1.367 614 D N 0.939 121.465 120.400 0.209 0.000 2.374 614 D HA 0.140 4.773 4.640 -0.011 0.000 0.240 614 D C 1.562 177.901 176.300 0.064 0.000 1.229 614 D CA 1.137 55.218 54.000 0.133 0.000 0.895 614 D CB 0.959 41.802 40.800 0.071 0.000 1.046 614 D HN 0.146 nan 8.370 nan 0.000 0.498 615 T N -0.007 114.591 114.554 0.073 0.000 2.881 615 T HA -0.194 4.149 4.350 -0.011 0.000 0.270 615 T C 1.772 176.393 174.700 -0.131 0.000 1.068 615 T CA 1.306 63.368 62.100 -0.064 0.000 1.131 615 T CB -0.243 68.594 68.868 -0.052 0.000 0.871 615 T HN 0.287 nan 8.240 nan 0.000 0.479 616 S N 1.303 116.962 115.700 -0.068 0.000 2.515 616 S HA 0.088 4.551 4.470 -0.011 0.000 0.231 616 S C 1.411 175.964 174.600 -0.078 0.000 0.987 616 S CA 0.045 58.193 58.200 -0.087 0.000 0.936 616 S CB -0.346 62.829 63.200 -0.042 0.000 0.766 616 S HN 0.672 nan 8.310 nan 0.000 0.528 617 K N 1.172 121.540 120.400 -0.053 0.000 2.564 617 K HA 0.484 4.797 4.320 -0.011 0.000 0.205 617 K C 0.098 176.680 176.600 -0.030 0.000 1.053 617 K CA -0.050 56.227 56.287 -0.018 0.000 1.072 617 K CB 0.990 33.500 32.500 0.017 0.000 0.822 617 K HN 0.380 nan 8.250 nan 0.000 0.497 618 A N 1.481 124.247 122.820 -0.090 0.000 2.466 618 A HA 0.162 4.475 4.320 -0.011 0.000 0.238 618 A C 0.324 177.919 177.584 0.018 0.000 1.074 618 A CA -0.139 51.849 52.037 -0.081 0.000 0.774 618 A CB 0.111 19.010 19.000 -0.168 0.000 1.015 618 A HN 0.199 nan 8.150 nan 0.000 0.498 619 I N 2.002 122.554 120.570 -0.030 0.000 2.452 619 I HA 0.472 4.635 4.170 -0.011 0.000 0.287 619 I C 1.033 176.992 176.117 -0.263 0.000 1.079 619 I CA 1.599 62.849 61.300 -0.082 0.000 1.387 619 I CB -0.590 37.358 38.000 -0.086 0.000 1.404 619 I HN 0.991 nan 8.210 nan 0.000 0.522 620 G N 8.839 117.370 108.800 -0.448 0.000 2.320 620 G HA2 0.079 4.032 3.960 -0.011 0.000 0.274 620 G HA3 0.079 4.032 3.960 -0.011 0.000 0.274 620 G C -3.138 171.426 174.900 -0.560 0.000 1.324 620 G CA -0.843 43.690 45.100 -0.946 0.000 0.957 620 G HN 0.381 nan 8.290 nan 0.000 0.481 621 P HA 0.317 nan 4.420 nan 0.000 0.268 621 P C 0.286 177.173 177.300 -0.689 0.000 1.204 621 P CA 0.142 62.617 63.100 -1.042 0.000 0.768 621 P CB 0.457 31.899 31.700 -0.430 0.000 0.842 622 M N 1.886 121.104 119.600 -0.638 0.000 2.157 622 M HA 0.213 4.686 4.480 -0.011 0.000 0.304 622 M C 0.466 176.922 176.300 0.261 0.000 1.171 622 M CA 0.294 55.359 55.300 -0.390 0.000 1.157 622 M CB 0.005 32.525 32.600 -0.134 0.000 1.403 622 M HN 0.187 nan 8.290 nan 0.000 0.473 623 F N 1.280 121.228 119.950 -0.004 0.000 2.403 623 F HA 0.312 4.832 4.527 -0.012 0.000 0.326 623 F C 0.698 176.308 175.800 -0.316 0.000 1.081 623 F CA -1.245 56.591 58.000 -0.273 0.000 1.041 623 F CB 0.738 39.310 39.000 -0.713 0.000 1.234 623 F HN 0.651 nan 8.300 nan 0.000 0.503 624 N N -0.956 117.691 118.700 -0.088 0.000 2.297 624 N HA 0.045 4.778 4.740 -0.011 0.000 0.244 624 N C -0.379 175.070 175.510 -0.102 0.000 1.412 624 N CA -0.109 52.838 53.050 -0.171 0.000 0.837 624 N CB -0.252 37.731 38.487 -0.839 0.000 1.336 624 N HN 0.615 nan 8.380 nan 0.000 0.508 625 Q N -0.482 119.292 119.800 -0.044 0.000 2.619 625 Q HA 0.318 4.651 4.340 -0.011 0.000 0.230 625 Q C 1.060 176.967 176.000 -0.154 0.000 0.871 625 Q CA 0.592 56.326 55.803 -0.116 0.000 0.934 625 Q CB 0.794 29.430 28.738 -0.171 0.000 1.183 625 Q HN 0.108 nan 8.270 nan 0.000 0.631 626 V N 0.256 120.038 119.914 -0.220 0.000 2.326 626 V HA -0.096 4.017 4.120 -0.011 0.000 0.237 626 V C 2.097 177.732 176.094 -0.765 0.000 1.044 626 V CA 1.088 63.072 62.300 -0.525 0.000 1.035 626 V CB -0.349 31.084 31.823 -0.649 0.000 0.675 626 V HN 0.089 nan 8.190 nan 0.000 0.470 627 V N -1.548 117.802 119.914 -0.940 0.000 2.379 627 V HA -0.075 4.038 4.120 -0.011 0.000 0.245 627 V C 0.674 176.114 176.094 -1.091 0.000 1.044 627 V CA 1.454 63.079 62.300 -1.124 0.000 1.036 627 V CB -0.582 30.369 31.823 -1.454 0.000 0.664 627 V HN 0.499 nan 8.190 nan 0.000 0.453 628 Y N -1.553 118.396 120.300 -0.586 0.000 2.576 628 Y HA 0.691 5.234 4.550 -0.011 0.000 0.346 628 Y C -0.245 175.589 175.900 -0.110 0.000 1.018 628 Y CA -1.308 56.640 58.100 -0.253 0.000 1.050 628 Y CB 1.557 39.909 38.460 -0.179 0.000 1.280 628 Y HN -0.036 nan 8.280 nan 0.000 0.474 629 Q N 0.534 120.377 119.800 0.072 0.000 2.309 629 Q HA 0.313 4.646 4.340 -0.011 0.000 0.264 629 Q C -1.375 174.598 176.000 -0.044 0.000 1.008 629 Q CA -0.973 54.829 55.803 -0.002 0.000 0.853 629 Q CB 1.528 30.257 28.738 -0.015 0.000 1.314 629 Q HN 0.583 nan 8.270 nan 0.000 0.448 630 Y N 4.340 124.482 120.300 -0.264 0.000 3.059 630 Y HA -0.081 4.463 4.550 -0.011 0.000 0.343 630 Y C -1.268 174.549 175.900 -0.139 0.000 1.273 630 Y CA -0.307 57.586 58.100 -0.346 0.000 1.572 630 Y CB 0.706 38.931 38.460 -0.392 0.000 1.228 630 Y HN 0.568 nan 8.280 nan 0.000 0.610 631 P HA 0.066 nan 4.420 nan 0.000 0.253 631 P C -0.690 176.453 177.300 -0.262 0.000 1.459 631 P CA 0.054 62.540 63.100 -1.023 0.000 0.908 631 P CB -0.054 31.095 31.700 -0.918 0.000 1.470 632 T N 0.845 115.286 114.554 -0.189 0.000 2.817 632 T HA 0.300 4.643 4.350 -0.011 0.000 0.293 632 T C -0.633 174.066 174.700 -0.002 0.000 0.964 632 T CA 0.157 62.241 62.100 -0.027 0.000 1.085 632 T CB 0.542 69.382 68.868 -0.046 0.000 0.921 632 T HN 0.051 nan 8.240 nan 0.000 0.502 633 W N 2.926 124.203 121.300 -0.038 0.000 2.781 633 W HA 0.643 5.296 4.660 -0.011 0.000 0.345 633 W C -0.668 175.919 176.519 0.113 0.000 1.085 633 W CA -1.049 56.329 57.345 0.055 0.000 1.198 633 W CB 0.910 30.338 29.460 -0.052 0.000 1.423 633 W HN 0.713 nan 8.180 nan 0.000 0.532 634 Y N -0.347 120.133 120.300 0.299 0.000 2.625 634 Y HA 0.805 5.349 4.550 -0.010 0.000 0.338 634 Y C -2.058 174.087 175.900 0.409 0.000 1.123 634 Y CA -2.507 55.758 58.100 0.276 0.000 1.046 634 Y CB 1.537 40.162 38.460 0.276 0.000 1.299 634 Y HN 0.461 nan 8.280 nan 0.000 0.464 635 Y N 0.509 120.933 120.300 0.206 0.000 2.521 635 Y HA 0.376 4.919 4.550 -0.011 0.000 0.328 635 Y C -1.868 174.201 175.900 0.282 0.000 1.151 635 Y CA -1.549 56.577 58.100 0.044 0.000 1.054 635 Y CB 1.866 40.282 38.460 -0.073 0.000 1.338 635 Y HN 0.780 nan 8.280 nan 0.000 0.453 636 D N 3.304 123.795 120.400 0.150 0.000 2.274 636 D HA 0.595 5.228 4.640 -0.011 0.000 0.239 636 D C -1.010 175.435 176.300 0.242 0.000 1.104 636 D CA 0.026 54.185 54.000 0.265 0.000 0.840 636 D CB 1.913 42.889 40.800 0.294 0.000 1.100 636 D HN 0.193 nan 8.370 nan 0.000 0.477 637 V N 1.178 121.301 119.914 0.348 0.000 2.638 637 V HA 0.308 4.421 4.120 -0.011 0.000 0.306 637 V C 0.138 176.402 176.094 0.284 0.000 1.052 637 V CA -0.925 61.578 62.300 0.339 0.000 0.885 637 V CB 2.141 34.166 31.823 0.338 0.000 0.999 637 V HN 0.480 nan 8.190 nan 0.000 0.424 638 S N 3.685 119.511 115.700 0.211 0.000 2.474 638 S HA 0.648 5.111 4.470 -0.011 0.000 0.276 638 S C -0.440 174.243 174.600 0.137 0.000 1.227 638 S CA -0.384 57.892 58.200 0.127 0.000 1.050 638 S CB 0.295 63.510 63.200 0.025 0.000 0.939 638 S HN 0.958 nan 8.310 nan 0.000 0.490 639 V N 3.283 123.279 119.914 0.137 0.000 3.078 639 V HA 0.785 4.898 4.120 -0.011 0.000 0.311 639 V C -2.829 173.318 176.094 0.088 0.000 1.138 639 V CA -2.794 59.585 62.300 0.131 0.000 1.007 639 V CB 1.752 33.703 31.823 0.213 0.000 1.045 639 V HN 0.650 nan 8.190 nan 0.000 0.432 640 P HA 0.282 nan 4.420 nan 0.000 0.276 640 P C 0.022 177.345 177.300 0.037 0.000 1.243 640 P CA 0.417 63.542 63.100 0.042 0.000 0.768 640 P CB 0.968 32.689 31.700 0.035 0.000 0.856 641 A N 3.586 126.421 122.820 0.025 0.000 2.565 641 A HA 0.354 4.667 4.320 -0.011 0.000 0.237 641 A C 1.642 179.227 177.584 0.001 0.000 1.053 641 A CA 0.827 52.872 52.037 0.014 0.000 0.755 641 A CB -1.383 17.624 19.000 0.011 0.000 0.980 641 A HN 0.883 nan 8.150 nan 0.000 0.506 642 G N 1.988 110.778 108.800 -0.016 0.000 2.175 642 G HA2 -0.235 3.718 3.960 -0.011 0.000 0.265 642 G HA3 -0.235 3.718 3.960 -0.011 0.000 0.265 642 G C 0.442 175.326 174.900 -0.025 0.000 0.979 642 G CA 0.875 45.958 45.100 -0.028 0.000 0.663 642 G HN 1.261 nan 8.290 nan 0.000 0.533 643 T N 1.636 116.182 114.554 -0.013 0.000 2.806 643 T HA 0.512 4.856 4.350 -0.011 0.000 0.290 643 T C 0.458 175.162 174.700 0.008 0.000 0.966 643 T CA 0.301 62.406 62.100 0.009 0.000 1.060 643 T CB 1.436 70.323 68.868 0.031 0.000 0.927 643 T HN 0.170 nan 8.240 nan 0.000 0.485 644 T N 5.013 119.582 114.554 0.026 0.000 2.723 644 T HA 0.415 4.759 4.350 -0.011 0.000 0.297 644 T C 0.616 175.386 174.700 0.116 0.000 0.925 644 T CA -0.450 61.683 62.100 0.055 0.000 1.030 644 T CB -0.528 68.371 68.868 0.053 0.000 0.905 644 T HN 0.529 nan 8.240 nan 0.000 0.502 645 I N 1.114 121.799 120.570 0.191 0.000 2.607 645 I HA 0.619 4.782 4.170 -0.011 0.000 0.305 645 I C -0.347 175.986 176.117 0.360 0.000 0.995 645 I CA -1.135 60.314 61.300 0.248 0.000 1.148 645 I CB 1.450 39.613 38.000 0.271 0.000 1.323 645 I HN 0.368 nan 8.210 nan 0.000 0.461 646 Q N 4.366 124.350 119.800 0.307 0.000 2.309 646 Q HA 0.664 4.997 4.340 -0.011 0.000 0.264 646 Q C -1.429 174.780 176.000 0.349 0.000 1.008 646 Q CA -0.637 55.371 55.803 0.342 0.000 0.853 646 Q CB 2.534 31.495 28.738 0.371 0.000 1.314 646 Q HN 0.687 nan 8.270 nan 0.000 0.448 647 F N -1.305 118.771 119.950 0.209 0.000 2.668 647 F HA 0.729 5.249 4.527 -0.012 0.000 0.309 647 F C -1.315 174.617 175.800 0.219 0.000 1.117 647 F CA -1.111 56.917 58.000 0.047 0.000 0.951 647 F CB 1.520 40.435 39.000 -0.142 0.000 1.323 647 F HN 0.226 nan 8.300 nan 0.000 0.451 648 K N 0.844 121.386 120.400 0.237 0.000 2.509 648 K HA 0.637 4.950 4.320 -0.011 0.000 0.266 648 K C -1.985 174.487 176.600 -0.214 0.000 0.987 648 K CA -0.827 55.535 56.287 0.126 0.000 0.868 648 K CB 2.724 35.416 32.500 0.320 0.000 1.421 648 K HN 0.552 nan 8.250 nan 0.000 0.444 649 F N 1.928 121.952 119.950 0.124 0.000 2.425 649 F HA 0.540 5.060 4.527 -0.011 0.000 0.331 649 F C 0.518 176.344 175.800 0.043 0.000 1.085 649 F CA -0.847 57.213 58.000 0.101 0.000 1.028 649 F CB 1.039 40.193 39.000 0.257 0.000 1.177 649 F HN 0.315 nan 8.300 nan 0.000 0.487 650 I N -1.027 119.657 120.570 0.190 0.000 2.934 650 I HA 0.663 4.826 4.170 -0.011 0.000 0.306 650 I C -1.572 174.624 176.117 0.131 0.000 1.110 650 I CA -1.169 60.156 61.300 0.041 0.000 1.019 650 I CB 2.599 40.306 38.000 -0.487 0.000 1.227 650 I HN 0.441 nan 8.210 nan 0.000 0.434 651 K N 3.653 124.105 120.400 0.086 0.000 2.358 651 K HA 0.556 4.869 4.320 -0.011 0.000 0.260 651 K C -1.305 175.279 176.600 -0.026 0.000 0.956 651 K CA -0.772 55.503 56.287 -0.021 0.000 0.834 651 K CB 2.079 34.522 32.500 -0.095 0.000 1.102 651 K HN 0.680 nan 8.250 nan 0.000 0.431 652 K N 0.557 120.945 120.400 -0.020 0.000 2.512 652 K HA 0.424 4.737 4.320 -0.011 0.000 0.263 652 K C -0.359 176.235 176.600 -0.011 0.000 0.966 652 K CA -0.892 55.354 56.287 -0.068 0.000 0.851 652 K CB 1.581 33.946 32.500 -0.226 0.000 1.395 652 K HN 0.567 nan 8.250 nan 0.000 0.440 653 N N -1.124 117.559 118.700 -0.027 0.000 2.003 653 N HA 0.167 4.900 4.740 -0.011 0.000 0.271 653 N C 0.795 176.296 175.510 -0.015 0.000 1.166 653 N CA 0.227 53.271 53.050 -0.010 0.000 0.760 653 N CB 1.304 39.789 38.487 -0.004 0.000 1.607 653 N HN 0.835 nan 8.380 nan 0.000 0.588 654 G N -0.435 108.355 108.800 -0.017 0.000 3.033 654 G HA2 -0.201 3.752 3.960 -0.011 0.000 0.208 654 G HA3 -0.201 3.752 3.960 -0.011 0.000 0.208 654 G C 0.472 175.373 174.900 0.002 0.000 1.006 654 G CA 0.284 45.378 45.100 -0.010 0.000 0.808 654 G HN 0.371 nan 8.290 nan 0.000 0.499 655 N N 0.113 118.819 118.700 0.011 0.000 2.297 655 N HA 0.317 5.050 4.740 -0.011 0.000 0.204 655 N C 0.136 175.660 175.510 0.022 0.000 1.036 655 N CA 1.817 54.879 53.050 0.020 0.000 0.991 655 N CB 0.513 39.017 38.487 0.029 0.000 1.198 655 N HN 0.153 nan 8.380 nan 0.000 0.515 656 T N 0.486 115.059 114.554 0.032 0.000 2.937 656 T HA 0.432 4.775 4.350 -0.011 0.000 0.297 656 T C -0.553 174.183 174.700 0.060 0.000 0.991 656 T CA -0.532 61.596 62.100 0.047 0.000 0.990 656 T CB 1.111 70.012 68.868 0.055 0.000 0.991 656 T HN 0.133 nan 8.240 nan 0.000 0.440 657 I N 3.104 123.715 120.570 0.067 0.000 2.752 657 I HA 0.071 4.234 4.170 -0.011 0.000 0.289 657 I C 0.688 176.908 176.117 0.171 0.000 1.197 657 I CA 0.505 61.847 61.300 0.070 0.000 1.432 657 I CB 0.369 38.399 38.000 0.050 0.000 1.359 657 I HN 0.508 nan 8.210 nan 0.000 0.571 658 T N 5.383 120.032 114.554 0.158 0.000 2.758 658 T HA 0.311 4.654 4.350 -0.011 0.000 0.285 658 T C -0.673 174.246 174.700 0.365 0.000 0.981 658 T CA -0.419 61.848 62.100 0.278 0.000 0.965 658 T CB 0.393 69.406 68.868 0.243 0.000 0.927 658 T HN 0.292 nan 8.240 nan 0.000 0.448 659 W N 1.736 123.140 121.300 0.175 0.000 2.448 659 W HA 0.392 5.046 4.660 -0.011 0.000 0.339 659 W C 0.720 177.235 176.519 -0.007 0.000 1.124 659 W CA -1.111 56.298 57.345 0.106 0.000 1.262 659 W CB 0.437 29.899 29.460 0.004 0.000 1.251 659 W HN 0.590 nan 8.180 nan 0.000 0.597 660 E N 0.824 120.943 120.200 -0.136 0.000 2.481 660 E HA 0.156 4.500 4.350 -0.011 0.000 0.263 660 E C 0.699 177.210 176.600 -0.149 0.000 0.992 660 E CA 0.246 56.323 56.400 -0.538 0.000 0.938 660 E CB 0.556 29.885 29.700 -0.618 0.000 0.933 660 E HN 0.612 nan 8.360 nan 0.000 0.453 661 G N 1.435 110.137 108.800 -0.165 0.000 2.508 661 G HA2 0.499 4.452 3.960 -0.011 0.000 0.278 661 G HA3 0.499 4.452 3.960 -0.011 0.000 0.278 661 G C 0.372 175.178 174.900 -0.156 0.000 1.389 661 G CA -0.023 45.014 45.100 -0.105 0.000 1.050 661 G HN 0.790 nan 8.290 nan 0.000 0.522 662 G N -1.391 107.331 108.800 -0.130 0.000 2.697 662 G HA2 -0.017 3.937 3.960 -0.011 0.000 0.240 662 G HA3 -0.017 3.937 3.960 -0.011 0.000 0.240 662 G C 0.285 175.082 174.900 -0.171 0.000 1.346 662 G CA 0.108 45.123 45.100 -0.143 0.000 0.887 662 G HN 1.356 nan 8.290 nan 0.000 0.569 663 S N 0.873 116.466 115.700 -0.178 0.000 2.617 663 S HA 0.449 4.912 4.470 -0.011 0.000 0.269 663 S C 0.697 175.152 174.600 -0.242 0.000 1.292 663 S CA -0.636 57.459 58.200 -0.174 0.000 1.010 663 S CB 0.713 63.835 63.200 -0.130 0.000 0.944 663 S HN 0.704 nan 8.310 nan 0.000 0.536 664 N N 2.378 120.976 118.700 -0.169 0.000 2.395 664 N HA 0.002 4.736 4.740 -0.011 0.000 0.246 664 N C -0.024 175.314 175.510 -0.286 0.000 1.246 664 N CA 0.406 53.366 53.050 -0.149 0.000 0.879 664 N CB 0.064 38.593 38.487 0.070 0.000 1.098 664 N HN 0.545 nan 8.380 nan 0.000 0.444 665 H N 0.082 118.945 119.070 -0.346 0.000 2.707 665 H HA 0.144 4.693 4.556 -0.011 0.000 0.359 665 H C 0.325 175.374 175.328 -0.465 0.000 1.113 665 H CA 0.510 56.232 56.048 -0.543 0.000 1.422 665 H CB 0.885 29.983 29.762 -1.107 0.000 1.443 665 H HN 0.328 nan 8.280 nan 0.000 0.591 666 T N 1.781 116.342 114.554 0.012 0.000 2.900 666 T HA 0.446 4.789 4.350 -0.011 0.000 0.295 666 T C -1.860 173.126 174.700 0.477 0.000 1.044 666 T CA -0.612 61.634 62.100 0.243 0.000 0.995 666 T CB 0.935 69.902 68.868 0.165 0.000 1.072 666 T HN 0.516 nan 8.240 nan 0.000 0.473 667 Y N 1.457 121.978 120.300 0.368 0.000 2.480 667 Y HA 0.469 5.012 4.550 -0.012 0.000 0.329 667 Y C -0.944 175.066 175.900 0.184 0.000 1.127 667 Y CA -0.660 57.609 58.100 0.282 0.000 1.037 667 Y CB 1.729 40.390 38.460 0.335 0.000 1.320 667 Y HN 0.610 nan 8.280 nan 0.000 0.446 668 T N 5.826 120.130 114.554 -0.417 0.000 2.733 668 T HA 0.411 4.754 4.350 -0.011 0.000 0.294 668 T C -0.431 173.785 174.700 -0.806 0.000 0.956 668 T CA -0.447 61.401 62.100 -0.419 0.000 0.987 668 T CB 0.550 69.291 68.868 -0.211 0.000 0.920 668 T HN 0.478 nan 8.240 nan 0.000 0.470 669 V N 7.181 126.827 119.914 -0.447 0.000 2.673 669 V HA 0.102 4.215 4.120 -0.011 0.000 0.303 669 V C -1.758 174.229 176.094 -0.177 0.000 1.046 669 V CA -1.449 60.695 62.300 -0.261 0.000 1.126 669 V CB -0.037 31.779 31.823 -0.012 0.000 0.934 669 V HN 0.700 nan 8.190 nan 0.000 0.487 670 P HA 0.028 nan 4.420 nan 0.000 0.269 670 P C 0.785 178.080 177.300 -0.008 0.000 1.211 670 P CA 0.229 63.313 63.100 -0.026 0.000 0.781 670 P CB 0.411 32.135 31.700 0.040 0.000 0.877 671 S N -0.329 115.370 115.700 -0.002 0.000 2.414 671 S HA -0.072 4.391 4.470 -0.011 0.000 0.227 671 S C 1.273 175.883 174.600 0.016 0.000 1.022 671 S CA 1.422 59.624 58.200 0.004 0.000 0.958 671 S CB -0.651 62.550 63.200 0.002 0.000 0.797 671 S HN 0.553 nan 8.310 nan 0.000 0.493 672 S N -0.866 114.850 115.700 0.027 0.000 2.761 672 S HA 0.344 4.807 4.470 -0.011 0.000 0.273 672 S C 0.458 175.091 174.600 0.055 0.000 1.073 672 S CA -0.308 57.913 58.200 0.036 0.000 1.048 672 S CB -0.053 63.165 63.200 0.030 0.000 0.955 672 S HN 0.260 nan 8.310 nan 0.000 0.500 673 S N 3.176 118.914 115.700 0.062 0.000 2.652 673 S HA 0.592 5.055 4.470 -0.011 0.000 0.270 673 S C 0.340 175.002 174.600 0.103 0.000 1.243 673 S CA -0.150 58.100 58.200 0.083 0.000 0.999 673 S CB 1.161 64.406 63.200 0.076 0.000 0.973 673 S HN 0.709 nan 8.310 nan 0.000 0.544 674 T N -0.122 114.508 114.554 0.127 0.000 2.855 674 T HA 0.527 4.870 4.350 -0.011 0.000 0.314 674 T C 0.379 175.158 174.700 0.131 0.000 1.077 674 T CA -0.451 61.737 62.100 0.147 0.000 1.095 674 T CB 0.438 69.408 68.868 0.170 0.000 0.987 674 T HN 0.733 nan 8.240 nan 0.000 0.546 675 G N -0.146 108.737 108.800 0.137 0.000 2.672 675 G HA2 0.615 4.568 3.960 -0.011 0.000 0.292 675 G HA3 0.615 4.568 3.960 -0.011 0.000 0.292 675 G C -1.265 173.668 174.900 0.054 0.000 1.375 675 G CA -0.886 44.295 45.100 0.136 0.000 0.890 675 G HN 0.854 nan 8.290 nan 0.000 0.476 676 T N -0.238 114.316 114.554 0.000 0.000 2.886 676 T HA 0.580 4.923 4.350 -0.011 0.000 0.292 676 T C -1.233 173.292 174.700 -0.293 0.000 1.012 676 T CA -0.441 61.594 62.100 -0.108 0.000 0.982 676 T CB 1.829 70.702 68.868 0.007 0.000 1.018 676 T HN 0.765 nan 8.240 nan 0.000 0.451 677 V N 5.251 124.855 119.914 -0.517 0.000 2.483 677 V HA 0.659 4.773 4.120 -0.011 0.000 0.297 677 V C -1.302 174.644 176.094 -0.247 0.000 1.027 677 V CA -0.796 61.157 62.300 -0.577 0.000 0.855 677 V CB 0.889 31.957 31.823 -1.259 0.000 0.995 677 V HN 0.842 nan 8.190 nan 0.000 0.424 678 I N 7.594 128.096 120.570 -0.114 0.000 2.406 678 I HA 0.693 4.856 4.170 -0.011 0.000 0.290 678 I C -0.262 175.850 176.117 -0.009 0.000 0.999 678 I CA -0.789 60.471 61.300 -0.067 0.000 1.124 678 I CB 1.898 39.852 38.000 -0.077 0.000 1.289 678 I HN 0.593 nan 8.210 nan 0.000 0.441 679 V N 2.746 122.652 119.914 -0.013 0.000 3.141 679 V HA 0.657 4.770 4.120 -0.011 0.000 0.312 679 V C -0.965 175.122 176.094 -0.011 0.000 1.157 679 V CA -0.825 61.462 62.300 -0.022 0.000 1.041 679 V CB 2.267 33.947 31.823 -0.238 0.000 1.071 679 V HN 0.626 nan 8.190 nan 0.000 0.441 680 N N 1.745 120.490 118.700 0.075 0.000 2.399 680 N HA 0.245 4.979 4.740 -0.011 0.000 0.295 680 N C -0.585 175.061 175.510 0.226 0.000 1.048 680 N CA -0.320 52.806 53.050 0.127 0.000 0.886 680 N CB 1.776 40.338 38.487 0.125 0.000 1.185 680 N HN 1.031 nan 8.380 nan 0.000 0.487 681 W N 2.659 123.996 121.300 0.062 0.000 2.385 681 W HA -0.051 4.602 4.660 -0.012 0.000 0.336 681 W C -0.691 175.916 176.519 0.147 0.000 1.351 681 W CA 0.373 57.789 57.345 0.119 0.000 1.295 681 W CB 0.270 29.756 29.460 0.043 0.000 1.239 681 W HN 0.420 nan 8.180 nan 0.000 0.565 682 Q N 5.097 124.650 119.800 -0.413 0.000 2.314 682 Q HA 0.094 4.427 4.340 -0.011 0.000 0.259 682 Q C 0.581 176.371 176.000 -0.352 0.000 0.951 682 Q CA -0.639 55.004 55.803 -0.267 0.000 0.909 682 Q CB 1.882 30.472 28.738 -0.246 0.000 1.236 682 Q HN 0.414 nan 8.270 nan 0.000 0.444 683 Q N 0.000 119.807 119.800 0.011 0.000 2.315 683 Q HA 0.000 4.333 4.340 -0.011 0.000 0.214 683 Q CA 0.000 55.891 55.803 0.147 0.000 1.022 683 Q CB 0.000 28.844 28.738 0.176 0.000 1.108 683 Q HN 0.000 nan 8.270 nan 0.000 0.481