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 3g25_1_D DATA FIRST_RESID 0 DATA SEQUENCE AXEKYILSID QGTTSSRAIL FNQKGEIAGV AQREFKQYFP QSGWVEHDAN DATA SEQUENCE EIWTSVLAVX TEVINENDVR ADQIAGIGIT NQRETTVVWD KHTGRPIYHA DATA SEQUENCE IVWQSRQTQS ICSELKQQGY EQTFRDKTGL LLDPYFAGTK VKWILDNVEG DATA SEQUENCE AREKAENGDL LFGTIDTWLV WKLSGKAAHI TDYSNASRTL XFNIHDLEWD DATA SEQUENCE DELLELLTVP KNXLPEVKAS SEVYGKTIDY HFYGQEVPIA GVAGDQQAAL DATA SEQUENCE FGQACFERGD VKNTYGTGGF XLXNTGDKAV KSESGLLTTI AYGIDGKVNY DATA SEQUENCE ALEGSIFVSG SAIQWLRDGL RXINSAPQSE SYATRVDSTE GVYVVPAFVG DATA SEQUENCE LGTPYWDSEA RGAIFGLTRG TEKEHFIRAT LESLCYQTRD VXEAXSKDSG DATA SEQUENCE IDVQSLRVDG GAVKNNFIXQ FQADIVNTSV ERPEIQETTA LGAAFLAGLA DATA SEQUENCE VGFWESKDDI AKNWKLEEKF DPKXDEGERE KLYRGWKKAV EATQVFKTE 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.600 177.584 0.027 0.000 1.274 0 A CA 0.000 52.049 52.037 0.020 0.000 0.836 0 A CB 0.000 19.005 19.000 0.009 0.000 0.831 3 K N 2.262 122.505 120.400 -0.260 0.000 2.185 3 K HA 0.595 4.913 4.320 -0.002 0.000 0.240 3 K C -1.127 175.223 176.600 -0.418 0.000 0.983 3 K CA -0.755 55.433 56.287 -0.165 0.000 0.873 3 K CB 1.403 33.934 32.500 0.052 0.000 1.118 3 K HN 0.326 nan 8.250 nan 0.000 0.441 4 Y N -0.128 120.115 120.300 -0.095 0.000 2.588 4 Y HA 0.399 4.948 4.550 -0.002 0.000 0.343 4 Y C -0.331 175.256 175.900 -0.520 0.000 1.065 4 Y CA -1.284 56.682 58.100 -0.223 0.000 1.038 4 Y CB 1.391 39.833 38.460 -0.031 0.000 1.297 4 Y HN 0.214 nan 8.280 nan 0.000 0.467 5 I N 3.018 123.389 120.570 -0.331 0.000 2.377 5 I HA 0.268 4.436 4.170 -0.002 0.000 0.293 5 I C -0.827 175.346 176.117 0.094 0.000 0.987 5 I CA -0.708 60.436 61.300 -0.260 0.000 1.185 5 I CB 1.419 39.265 38.000 -0.255 0.000 1.341 5 I HN 0.403 nan 8.210 nan 0.000 0.455 6 L N 6.201 127.466 121.223 0.071 0.000 2.282 6 L HA 0.477 4.815 4.340 -0.002 0.000 0.288 6 L C -0.122 176.845 176.870 0.163 0.000 1.033 6 L CA 0.255 55.174 54.840 0.132 0.000 0.807 6 L CB 1.543 43.672 42.059 0.118 0.000 1.209 6 L HN 0.595 nan 8.230 nan 0.000 0.423 7 S N 5.920 121.765 115.700 0.241 0.000 2.478 7 S HA 0.713 5.182 4.470 -0.002 0.000 0.312 7 S C -0.779 173.939 174.600 0.196 0.000 1.094 7 S CA -0.749 57.605 58.200 0.257 0.000 1.081 7 S CB 0.499 63.967 63.200 0.447 0.000 1.007 7 S HN 0.471 nan 8.310 nan 0.000 0.475 8 I N 4.414 125.078 120.570 0.157 0.000 2.339 8 I HA 0.399 4.568 4.170 -0.002 0.000 0.290 8 I C -0.181 176.021 176.117 0.142 0.000 0.994 8 I CA -0.791 60.591 61.300 0.137 0.000 1.191 8 I CB 1.308 39.378 38.000 0.116 0.000 1.343 8 I HN 0.630 nan 8.210 nan 0.000 0.458 9 D N 6.224 126.713 120.400 0.149 0.000 2.460 9 D HA 0.107 4.746 4.640 -0.002 0.000 0.232 9 D C -0.308 176.087 176.300 0.159 0.000 1.079 9 D CA -0.325 53.768 54.000 0.155 0.000 0.864 9 D CB 1.036 41.938 40.800 0.169 0.000 1.048 9 D HN 0.255 nan 8.370 nan 0.000 0.523 10 Q N 3.355 123.248 119.800 0.155 0.000 2.503 10 Q HA 0.390 4.728 4.340 -0.002 0.000 0.227 10 Q C 0.041 176.175 176.000 0.223 0.000 1.109 10 Q CA -0.585 55.318 55.803 0.167 0.000 0.922 10 Q CB 0.643 29.459 28.738 0.130 0.000 1.249 10 Q HN 0.632 nan 8.270 nan 0.000 0.530 11 G N 1.688 110.658 108.800 0.282 0.000 2.653 11 G HA2 0.139 4.097 3.960 -0.002 0.000 0.265 11 G HA3 0.139 4.097 3.960 -0.002 0.000 0.265 11 G C 0.705 175.883 174.900 0.463 0.000 1.237 11 G CA -0.104 45.194 45.100 0.330 0.000 0.946 11 G HN 0.563 nan 8.290 nan 0.000 0.522 12 T N -0.678 114.162 114.554 0.476 0.000 2.904 12 T HA -0.087 4.262 4.350 -0.002 0.000 0.267 12 T C 2.421 177.300 174.700 0.299 0.000 1.059 12 T CA 2.036 64.484 62.100 0.580 0.000 1.137 12 T CB -0.161 69.100 68.868 0.656 0.000 0.879 12 T HN 0.734 nan 8.240 nan 0.000 0.467 13 T N -1.469 113.107 114.554 0.036 0.000 2.959 13 T HA 0.329 4.677 4.350 -0.002 0.000 0.254 13 T C 0.634 174.969 174.700 -0.607 0.000 1.003 13 T CA 0.187 62.035 62.100 -0.420 0.000 0.950 13 T CB 0.289 69.090 68.868 -0.113 0.000 1.090 13 T HN 0.370 nan 8.240 nan 0.000 0.503 14 S N 0.050 115.705 115.700 -0.076 0.000 2.596 14 S HA 0.730 5.198 4.470 -0.002 0.000 0.270 14 S C -1.248 173.578 174.600 0.377 0.000 1.155 14 S CA -0.744 57.554 58.200 0.164 0.000 0.827 14 S CB 1.879 65.128 63.200 0.081 0.000 1.130 14 S HN 0.159 nan 8.310 nan 0.000 0.467 15 S N 0.698 116.595 115.700 0.327 0.000 2.509 15 S HA 0.791 5.259 4.470 -0.002 0.000 0.297 15 S C -0.699 173.991 174.600 0.149 0.000 1.118 15 S CA -0.914 57.415 58.200 0.215 0.000 1.074 15 S CB 0.971 64.258 63.200 0.145 0.000 1.038 15 S HN 0.700 nan 8.310 nan 0.000 0.498 16 R N 1.009 121.589 120.500 0.132 0.000 2.750 16 R HA 0.813 5.151 4.340 -0.002 0.000 0.281 16 R C -1.080 175.277 176.300 0.095 0.000 0.972 16 R CA -0.625 55.536 56.100 0.103 0.000 0.912 16 R CB 1.579 31.944 30.300 0.107 0.000 1.187 16 R HN 0.647 nan 8.270 nan 0.000 0.464 17 A N 3.030 125.890 122.820 0.067 0.000 2.331 17 A HA 0.758 5.077 4.320 -0.002 0.000 0.320 17 A C -0.784 176.815 177.584 0.025 0.000 1.138 17 A CA -0.678 51.397 52.037 0.064 0.000 0.790 17 A CB 0.624 19.656 19.000 0.055 0.000 1.206 17 A HN 0.664 nan 8.150 nan 0.000 0.470 18 I N 2.829 123.415 120.570 0.027 0.000 2.533 18 I HA 0.310 4.479 4.170 -0.002 0.000 0.290 18 I C -0.859 175.168 176.117 -0.149 0.000 1.056 18 I CA -0.444 60.784 61.300 -0.120 0.000 1.057 18 I CB 2.007 39.886 38.000 -0.203 0.000 1.240 18 I HN 0.518 nan 8.210 nan 0.000 0.423 19 L N 5.663 126.748 121.223 -0.230 0.000 2.334 19 L HA 0.513 4.852 4.340 -0.002 0.000 0.277 19 L C -1.127 175.619 176.870 -0.206 0.000 1.075 19 L CA -0.318 54.450 54.840 -0.120 0.000 0.804 19 L CB 0.901 42.850 42.059 -0.183 0.000 1.174 19 L HN 0.378 nan 8.230 nan 0.000 0.438 20 F N 1.490 121.593 119.950 0.254 0.000 2.539 20 F HA 0.315 4.841 4.527 -0.002 0.000 0.318 20 F C 0.250 176.335 175.800 0.476 0.000 1.135 20 F CA -1.056 57.160 58.000 0.359 0.000 0.915 20 F CB 1.526 40.777 39.000 0.418 0.000 1.176 20 F HN 0.527 nan 8.300 nan 0.000 0.440 21 N N 1.800 120.893 118.700 0.655 0.000 2.379 21 N HA 0.055 4.794 4.740 -0.002 0.000 0.260 21 N C 0.921 176.782 175.510 0.585 0.000 1.254 21 N CA -0.516 52.838 53.050 0.506 0.000 0.958 21 N CB 0.354 39.052 38.487 0.350 0.000 1.208 21 N HN 0.672 nan 8.380 nan 0.000 0.532 22 Q N -0.101 119.888 119.800 0.314 0.000 2.290 22 Q HA -0.208 4.130 4.340 -0.002 0.000 0.211 22 Q C 0.253 176.473 176.000 0.368 0.000 0.991 22 Q CA 1.704 57.531 55.803 0.040 0.000 0.893 22 Q CB -0.062 28.547 28.738 -0.214 0.000 0.913 22 Q HN 0.697 nan 8.270 nan 0.000 0.428 23 K N -1.576 119.045 120.400 0.368 0.000 2.374 23 K HA 0.154 4.472 4.320 -0.002 0.000 0.196 23 K C 0.955 177.765 176.600 0.349 0.000 1.023 23 K CA 0.471 56.948 56.287 0.317 0.000 1.103 23 K CB 0.498 33.123 32.500 0.209 0.000 0.848 23 K HN 0.354 nan 8.250 nan 0.000 0.528 24 G N 2.107 111.209 108.800 0.503 0.000 2.159 24 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.256 24 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.256 24 G C -0.396 174.780 174.900 0.461 0.000 0.977 24 G CA -0.053 45.290 45.100 0.404 0.000 0.652 24 G HN 0.386 nan 8.290 nan 0.000 0.531 25 E N -0.268 120.185 120.200 0.423 0.000 2.343 25 E HA 0.512 4.860 4.350 -0.002 0.000 0.269 25 E C 0.576 177.381 176.600 0.342 0.000 1.047 25 E CA -0.684 55.914 56.400 0.331 0.000 0.874 25 E CB 1.304 31.142 29.700 0.230 0.000 1.033 25 E HN 0.356 nan 8.360 nan 0.000 0.409 26 I N 2.185 122.859 120.570 0.172 0.000 2.452 26 I HA 0.005 4.173 4.170 -0.002 0.000 0.287 26 I C 0.781 176.877 176.117 -0.035 0.000 1.079 26 I CA 0.383 61.619 61.300 -0.108 0.000 1.387 26 I CB 0.856 38.765 38.000 -0.153 0.000 1.404 26 I HN 0.659 nan 8.210 nan 0.000 0.522 27 A N 5.215 127.996 122.820 -0.065 0.000 2.431 27 A HA 0.613 4.931 4.320 -0.002 0.000 0.239 27 A C 0.706 178.220 177.584 -0.116 0.000 1.230 27 A CA 0.268 52.293 52.037 -0.019 0.000 0.928 27 A CB 0.286 19.335 19.000 0.081 0.000 1.006 27 A HN 0.825 nan 8.150 nan 0.000 0.520 28 G N -1.177 107.529 108.800 -0.157 0.000 2.473 28 G HA2 0.497 4.455 3.960 -0.002 0.000 0.298 28 G HA3 0.497 4.455 3.960 -0.002 0.000 0.298 28 G C -1.734 173.082 174.900 -0.140 0.000 1.575 28 G CA -0.213 44.801 45.100 -0.142 0.000 0.846 28 G HN 0.576 nan 8.290 nan 0.000 0.585 29 V N -0.032 119.826 119.914 -0.092 0.000 2.808 29 V HA 0.923 5.042 4.120 -0.002 0.000 0.308 29 V C 0.067 176.138 176.094 -0.038 0.000 1.099 29 V CA -0.285 61.976 62.300 -0.064 0.000 0.920 29 V CB 1.598 33.394 31.823 -0.045 0.000 1.014 29 V HN 1.894 nan 8.190 nan 0.000 0.425 30 A N 3.521 126.331 122.820 -0.018 0.000 2.486 30 A HA 0.901 5.220 4.320 -0.002 0.000 0.300 30 A C -1.098 176.498 177.584 0.020 0.000 1.048 30 A CA -0.564 51.469 52.037 -0.006 0.000 0.696 30 A CB 2.191 21.181 19.000 -0.016 0.000 1.278 30 A HN 0.839 nan 8.150 nan 0.000 0.405 31 Q N 0.669 120.486 119.800 0.027 0.000 2.359 31 Q HA 0.746 5.085 4.340 -0.002 0.000 0.274 31 Q C -1.338 174.691 176.000 0.050 0.000 1.074 31 Q CA -0.761 55.072 55.803 0.050 0.000 0.810 31 Q CB 2.067 30.837 28.738 0.053 0.000 1.342 31 Q HN 0.710 nan 8.270 nan 0.000 0.427 32 R N 1.818 122.364 120.500 0.076 0.000 2.538 32 R HA 0.292 4.631 4.340 -0.002 0.000 0.292 32 R C -1.234 175.143 176.300 0.129 0.000 1.008 32 R CA -0.352 55.797 56.100 0.082 0.000 0.896 32 R CB 1.370 31.715 30.300 0.076 0.000 1.187 32 R HN 0.579 nan 8.270 nan 0.000 0.440 33 E N 4.064 124.307 120.200 0.072 0.000 2.349 33 E HA 0.281 4.629 4.350 -0.002 0.000 0.262 33 E C -0.424 176.216 176.600 0.065 0.000 1.088 33 E CA -0.152 56.246 56.400 -0.004 0.000 0.899 33 E CB 0.841 30.502 29.700 -0.066 0.000 1.044 33 E HN 0.440 nan 8.360 nan 0.000 0.420 34 F N -1.772 118.162 119.950 -0.027 0.000 2.629 34 F HA 0.533 5.059 4.527 -0.003 0.000 0.316 34 F C -0.115 175.643 175.800 -0.071 0.000 1.081 34 F CA -1.580 56.394 58.000 -0.044 0.000 0.954 34 F CB 0.986 39.955 39.000 -0.052 0.000 1.337 34 F HN 0.122 nan 8.300 nan 0.000 0.474 35 K N 1.096 121.540 120.400 0.074 0.000 2.326 35 K HA 0.210 4.528 4.320 -0.002 0.000 0.275 35 K C -0.822 175.675 176.600 -0.172 0.000 1.018 35 K CA -0.359 55.830 56.287 -0.164 0.000 0.962 35 K CB 0.567 32.882 32.500 -0.309 0.000 0.953 35 K HN 0.604 nan 8.250 nan 0.000 0.475 36 Q N 3.436 123.002 119.800 -0.390 0.000 2.347 36 Q HA 0.193 4.531 4.340 -0.002 0.000 0.262 36 Q C -1.341 174.130 176.000 -0.882 0.000 0.980 36 Q CA -0.364 55.170 55.803 -0.448 0.000 0.867 36 Q CB 1.138 29.611 28.738 -0.442 0.000 1.242 36 Q HN 0.475 nan 8.270 nan 0.000 0.453 37 Y N 1.810 121.744 120.300 -0.611 0.000 2.328 37 Y HA 0.362 4.910 4.550 -0.002 0.000 0.337 37 Y C -0.077 175.484 175.900 -0.564 0.000 1.008 37 Y CA -0.613 57.180 58.100 -0.512 0.000 1.129 37 Y CB 0.848 39.150 38.460 -0.263 0.000 1.185 37 Y HN 0.410 nan 8.280 nan 0.000 0.476 38 F N 4.576 124.606 119.950 0.135 0.000 2.453 38 F HA 0.340 4.866 4.527 -0.002 0.000 0.358 38 F C -1.783 174.056 175.800 0.065 0.000 1.129 38 F CA -1.840 56.213 58.000 0.089 0.000 1.200 38 F CB 0.802 39.811 39.000 0.016 0.000 1.431 38 F HN 0.437 nan 8.300 nan 0.000 0.503 39 P HA -0.066 nan 4.420 nan 0.000 0.219 39 P C -0.316 176.871 177.300 -0.188 0.000 1.150 39 P CA 1.339 64.459 63.100 0.034 0.000 0.814 39 P CB 0.360 32.094 31.700 0.057 0.000 0.787 40 Q N -1.773 117.827 119.800 -0.333 0.000 2.456 40 Q HA 0.420 4.759 4.340 -0.002 0.000 0.284 40 Q C -0.707 175.190 176.000 -0.173 0.000 1.061 40 Q CA -0.786 54.744 55.803 -0.454 0.000 0.799 40 Q CB 1.918 30.015 28.738 -1.068 0.000 1.445 40 Q HN -0.241 nan 8.270 nan 0.000 0.411 41 S N 0.049 115.696 115.700 -0.088 0.000 2.562 41 S HA 0.342 4.811 4.470 -0.002 0.000 0.281 41 S C 1.044 175.711 174.600 0.112 0.000 1.333 41 S CA 0.927 59.128 58.200 0.001 0.000 1.052 41 S CB 0.553 63.751 63.200 -0.003 0.000 0.884 41 S HN 0.956 nan 8.310 nan 0.000 0.506 42 G N 1.899 110.766 108.800 0.113 0.000 2.363 42 G HA2 -0.237 3.721 3.960 -0.002 0.000 0.238 42 G HA3 -0.237 3.721 3.960 -0.002 0.000 0.238 42 G C -0.125 174.932 174.900 0.262 0.000 1.062 42 G CA -0.068 45.135 45.100 0.173 0.000 0.629 42 G HN 0.583 nan 8.290 nan 0.000 0.514 43 W N 0.658 121.969 121.300 0.019 0.000 2.202 43 W HA 0.612 5.271 4.660 -0.002 0.000 0.332 43 W C 0.268 176.844 176.519 0.095 0.000 1.263 43 W CA -0.495 56.857 57.345 0.012 0.000 1.223 43 W CB 1.016 30.490 29.460 0.023 0.000 1.128 43 W HN 0.314 nan 8.180 nan 0.000 0.573 44 V N 2.361 122.401 119.914 0.209 0.000 2.711 44 V HA 0.397 4.515 4.120 -0.002 0.000 0.304 44 V C -0.532 175.509 176.094 -0.088 0.000 1.097 44 V CA -1.308 61.051 62.300 0.098 0.000 0.906 44 V CB 1.730 33.544 31.823 -0.014 0.000 1.015 44 V HN 0.504 nan 8.190 nan 0.000 0.427 45 E N 2.566 122.695 120.200 -0.118 0.000 2.383 45 E HA 0.635 4.984 4.350 -0.002 0.000 0.275 45 E C -1.607 174.870 176.600 -0.205 0.000 0.918 45 E CA -0.969 55.322 56.400 -0.181 0.000 0.764 45 E CB 2.704 32.381 29.700 -0.038 0.000 1.252 45 E HN 0.701 nan 8.360 nan 0.000 0.449 46 H N 0.373 119.350 119.070 -0.154 0.000 2.710 46 H HA 0.271 4.826 4.556 -0.002 0.000 0.361 46 H C -1.048 174.064 175.328 -0.359 0.000 1.175 46 H CA -0.818 55.177 56.048 -0.088 0.000 1.206 46 H CB 1.580 31.370 29.762 0.046 0.000 1.750 46 H HN 0.430 nan 8.280 nan 0.000 0.553 47 D N 0.484 120.853 120.400 -0.052 0.000 2.373 47 D HA 0.264 4.903 4.640 -0.002 0.000 0.227 47 D C 0.775 177.071 176.300 -0.005 0.000 1.091 47 D CA -0.386 53.571 54.000 -0.072 0.000 0.840 47 D CB 1.197 42.007 40.800 0.017 0.000 1.060 47 D HN 0.593 nan 8.370 nan 0.000 0.502 48 A N 4.769 127.552 122.820 -0.063 0.000 2.019 48 A HA -0.197 4.122 4.320 -0.002 0.000 0.219 48 A C 1.816 179.512 177.584 0.185 0.000 1.164 48 A CA 0.944 52.894 52.037 -0.145 0.000 0.644 48 A CB -0.216 18.398 19.000 -0.643 0.000 0.805 48 A HN 0.619 nan 8.150 nan 0.000 0.449 49 N N -0.233 118.585 118.700 0.196 0.000 2.142 49 N HA -0.154 4.585 4.740 -0.002 0.000 0.186 49 N C 1.734 177.392 175.510 0.246 0.000 1.023 49 N CA 1.473 54.711 53.050 0.314 0.000 0.852 49 N CB -0.342 38.278 38.487 0.223 0.000 0.998 49 N HN 0.766 nan 8.380 nan 0.000 0.424 50 E N 0.887 121.170 120.200 0.137 0.000 2.106 50 E HA -0.038 4.310 4.350 -0.002 0.000 0.192 50 E C 2.012 178.597 176.600 -0.026 0.000 0.984 50 E CA 0.398 56.845 56.400 0.078 0.000 0.806 50 E CB 0.053 29.822 29.700 0.114 0.000 0.750 50 E HN 0.273 nan 8.360 nan 0.000 0.458 51 I N 0.633 121.132 120.570 -0.119 0.000 2.226 51 I HA -0.266 3.903 4.170 -0.002 0.000 0.245 51 I C 2.392 178.521 176.117 0.020 0.000 1.100 51 I CA 1.092 62.207 61.300 -0.308 0.000 1.374 51 I CB -0.461 37.357 38.000 -0.304 0.000 1.057 51 I HN 0.442 nan 8.210 nan 0.000 0.413 52 W N 2.212 123.519 121.300 0.012 0.000 2.355 52 W HA -0.308 4.351 4.660 -0.001 0.000 0.309 52 W C 2.739 179.208 176.519 -0.084 0.000 1.206 52 W CA 2.062 59.370 57.345 -0.062 0.000 1.284 52 W CB -0.225 29.192 29.460 -0.071 0.000 1.145 52 W HN 0.298 nan 8.180 nan 0.000 0.502 53 T N -0.902 113.543 114.554 -0.182 0.000 2.720 53 T HA -0.301 4.048 4.350 -0.002 0.000 0.268 53 T C 2.075 176.645 174.700 -0.216 0.000 1.037 53 T CA 2.522 64.458 62.100 -0.273 0.000 1.144 53 T CB -1.160 67.651 68.868 -0.095 0.000 0.864 53 T HN 0.271 nan 8.240 nan 0.000 0.444 54 S N 1.036 116.667 115.700 -0.116 0.000 2.382 54 S HA -0.060 4.409 4.470 -0.002 0.000 0.228 54 S C 2.086 176.641 174.600 -0.075 0.000 1.027 54 S CA 1.056 59.226 58.200 -0.050 0.000 0.991 54 S CB -1.024 62.192 63.200 0.026 0.000 0.823 54 S HN 0.400 nan 8.310 nan 0.000 0.469 55 V N 2.124 121.965 119.914 -0.122 0.000 2.358 55 V HA -0.063 4.056 4.120 -0.002 0.000 0.246 55 V C 2.593 178.567 176.094 -0.200 0.000 1.047 55 V CA 1.683 63.922 62.300 -0.102 0.000 1.035 55 V CB -0.843 30.971 31.823 -0.016 0.000 0.658 55 V HN 0.460 nan 8.190 nan 0.000 0.452 56 L N 0.143 121.097 121.223 -0.448 0.000 2.042 56 L HA -0.198 4.140 4.340 -0.002 0.000 0.210 56 L C 2.742 179.515 176.870 -0.161 0.000 1.076 56 L CA 1.668 56.268 54.840 -0.400 0.000 0.749 56 L CB -0.841 40.843 42.059 -0.624 0.000 0.893 56 L HN 0.370 nan 8.230 nan 0.000 0.432 57 A N 0.043 122.776 122.820 -0.144 0.000 1.877 57 A HA -0.077 4.242 4.320 -0.002 0.000 0.216 57 A C 1.420 178.982 177.584 -0.036 0.000 1.186 57 A CA 1.474 53.469 52.037 -0.070 0.000 0.620 57 A CB -1.028 17.940 19.000 -0.052 0.000 0.822 57 A HN 0.228 nan 8.150 nan 0.000 0.443 61 E N 1.341 121.488 120.200 -0.087 0.000 2.046 61 E HA -0.051 4.298 4.350 -0.002 0.000 0.190 61 E C 2.133 178.674 176.600 -0.098 0.000 0.982 61 E CA 1.379 57.728 56.400 -0.085 0.000 0.800 61 E CB -0.018 29.651 29.700 -0.051 0.000 0.756 61 E HN 0.220 nan 8.360 nan 0.000 0.449 62 V N 1.129 120.992 119.914 -0.085 0.000 2.332 62 V HA -0.247 3.872 4.120 -0.002 0.000 0.248 62 V C 2.254 178.262 176.094 -0.143 0.000 1.055 62 V CA 1.607 63.850 62.300 -0.096 0.000 1.038 62 V CB -0.297 31.486 31.823 -0.067 0.000 0.651 62 V HN 0.354 nan 8.190 nan 0.000 0.450 63 I N 0.462 120.926 120.570 -0.176 0.000 2.113 63 I HA -0.238 3.930 4.170 -0.002 0.000 0.238 63 I C 2.378 178.360 176.117 -0.225 0.000 1.070 63 I CA 2.269 63.425 61.300 -0.240 0.000 1.332 63 I CB -0.486 37.264 38.000 -0.417 0.000 1.044 63 I HN 0.414 nan 8.210 nan 0.000 0.402 64 N N 0.790 119.355 118.700 -0.225 0.000 2.409 64 N HA -0.134 4.605 4.740 -0.002 0.000 0.179 64 N C 1.547 176.980 175.510 -0.127 0.000 1.032 64 N CA 1.089 54.031 53.050 -0.180 0.000 0.898 64 N CB 0.075 38.452 38.487 -0.184 0.000 0.971 64 N HN 0.361 nan 8.380 nan 0.000 0.441 65 E N -0.785 119.347 120.200 -0.115 0.000 2.371 65 E HA 0.099 4.447 4.350 -0.002 0.000 0.194 65 E C 0.294 176.842 176.600 -0.086 0.000 1.012 65 E CA 0.314 56.662 56.400 -0.087 0.000 0.860 65 E CB 0.170 29.827 29.700 -0.073 0.000 0.811 65 E HN 0.336 nan 8.360 nan 0.000 0.502 66 N N 1.164 119.797 118.700 -0.111 0.000 2.235 66 N HA -0.030 4.708 4.740 -0.002 0.000 0.231 66 N C -0.669 174.775 175.510 -0.110 0.000 1.177 66 N CA 0.132 53.115 53.050 -0.112 0.000 0.874 66 N CB 0.826 39.223 38.487 -0.150 0.000 1.097 66 N HN -0.017 nan 8.380 nan 0.000 0.518 67 D N 0.901 121.240 120.400 -0.101 0.000 2.697 67 D HA -0.161 4.478 4.640 -0.002 0.000 0.235 67 D C -1.124 175.129 176.300 -0.080 0.000 1.167 67 D CA 0.490 54.441 54.000 -0.082 0.000 0.656 67 D CB -1.025 39.745 40.800 -0.050 0.000 1.025 67 D HN -0.057 nan 8.370 nan 0.000 0.419 68 V N 1.403 121.243 119.914 -0.123 0.000 2.628 68 V HA 0.536 4.654 4.120 -0.002 0.000 0.306 68 V C 0.902 176.934 176.094 -0.103 0.000 1.045 68 V CA -0.817 61.419 62.300 -0.107 0.000 0.905 68 V CB 2.081 33.760 31.823 -0.240 0.000 0.997 68 V HN 0.116 nan 8.190 nan 0.000 0.436 69 R N 2.116 122.594 120.500 -0.038 0.000 2.500 69 R HA 0.580 4.919 4.340 -0.002 0.000 0.277 69 R C 1.286 177.577 176.300 -0.014 0.000 1.026 69 R CA 0.009 56.080 56.100 -0.049 0.000 1.058 69 R CB 1.141 31.438 30.300 -0.006 0.000 1.078 69 R HN 0.852 nan 8.270 nan 0.000 0.509 70 A N 1.764 124.555 122.820 -0.049 0.000 1.978 70 A HA -0.215 4.104 4.320 -0.002 0.000 0.220 70 A C 1.286 179.002 177.584 0.221 0.000 1.170 70 A CA 1.994 54.075 52.037 0.073 0.000 0.636 70 A CB -0.519 18.497 19.000 0.026 0.000 0.810 70 A HN 0.886 nan 8.150 nan 0.000 0.448 71 D N -0.599 119.879 120.400 0.131 0.000 2.378 71 D HA -0.113 4.525 4.640 -0.002 0.000 0.227 71 D C 1.405 177.772 176.300 0.113 0.000 1.012 71 D CA 0.814 54.886 54.000 0.119 0.000 0.905 71 D CB -0.552 40.295 40.800 0.077 0.000 0.895 71 D HN 0.601 nan 8.370 nan 0.000 0.532 72 Q N -0.403 119.480 119.800 0.138 0.000 2.360 72 Q HA 0.152 4.491 4.340 -0.002 0.000 0.202 72 Q C -0.087 176.028 176.000 0.192 0.000 0.915 72 Q CA -0.114 55.790 55.803 0.168 0.000 0.943 72 Q CB 0.742 29.625 28.738 0.241 0.000 1.064 72 Q HN 0.294 nan 8.270 nan 0.000 0.511 73 I N 0.637 121.311 120.570 0.172 0.000 2.297 73 I HA 0.149 4.318 4.170 -0.002 0.000 0.291 73 I C 0.841 176.955 176.117 -0.006 0.000 1.033 73 I CA -0.153 61.218 61.300 0.118 0.000 1.253 73 I CB 0.864 39.001 38.000 0.228 0.000 1.396 73 I HN 0.010 nan 8.210 nan 0.000 0.476 74 A N 5.059 127.805 122.820 -0.124 0.000 2.030 74 A HA 0.520 4.839 4.320 -0.002 0.000 0.215 74 A C 1.036 178.504 177.584 -0.192 0.000 1.164 74 A CA 0.826 52.766 52.037 -0.163 0.000 0.697 74 A CB 0.074 18.932 19.000 -0.237 0.000 0.827 74 A HN 0.813 nan 8.150 nan 0.000 0.457 75 G N -1.426 107.234 108.800 -0.233 0.000 2.579 75 G HA2 0.499 4.457 3.960 -0.002 0.000 0.292 75 G HA3 0.499 4.457 3.960 -0.002 0.000 0.292 75 G C -1.510 173.291 174.900 -0.166 0.000 1.484 75 G CA -0.642 44.341 45.100 -0.195 0.000 0.813 75 G HN 0.126 nan 8.290 nan 0.000 0.515 76 I N 0.970 121.461 120.570 -0.131 0.000 2.406 76 I HA 0.562 4.731 4.170 -0.002 0.000 0.290 76 I C 0.654 176.770 176.117 -0.002 0.000 0.999 76 I CA -0.758 60.495 61.300 -0.077 0.000 1.124 76 I CB 2.275 40.191 38.000 -0.140 0.000 1.289 76 I HN 0.617 nan 8.210 nan 0.000 0.441 77 G N 7.164 115.993 108.800 0.048 0.000 2.343 77 G HA2 0.737 4.695 3.960 -0.002 0.000 0.319 77 G HA3 0.737 4.695 3.960 -0.002 0.000 0.319 77 G C -0.698 174.258 174.900 0.094 0.000 1.126 77 G CA -0.412 44.738 45.100 0.082 0.000 0.889 77 G HN 0.483 nan 8.290 nan 0.000 0.457 78 I N 1.878 122.500 120.570 0.087 0.000 2.410 78 I HA 0.303 4.471 4.170 -0.002 0.000 0.286 78 I C -0.017 176.142 176.117 0.070 0.000 1.009 78 I CA -0.424 60.923 61.300 0.077 0.000 1.111 78 I CB 2.203 40.233 38.000 0.051 0.000 1.262 78 I HN 0.285 nan 8.210 nan 0.000 0.443 79 T N 6.151 120.758 114.554 0.089 0.000 2.940 79 T HA 0.570 4.919 4.350 -0.002 0.000 0.288 79 T C -0.652 174.104 174.700 0.093 0.000 1.033 79 T CA -0.695 61.458 62.100 0.087 0.000 1.033 79 T CB 1.449 70.384 68.868 0.111 0.000 1.079 79 T HN 0.800 nan 8.240 nan 0.000 0.496 80 N N 0.834 119.583 118.700 0.082 0.000 3.043 80 N HA 0.099 4.838 4.740 -0.002 0.000 0.243 80 N C -1.438 174.120 175.510 0.080 0.000 1.347 80 N CA -0.908 52.203 53.050 0.101 0.000 0.896 80 N CB 1.154 39.701 38.487 0.101 0.000 1.501 80 N HN 0.660 nan 8.380 nan 0.000 0.504 81 Q N 0.768 120.652 119.800 0.140 0.000 2.283 81 Q HA 0.189 4.528 4.340 -0.002 0.000 0.301 81 Q C -0.318 175.722 176.000 0.067 0.000 1.063 81 Q CA 0.180 56.060 55.803 0.127 0.000 0.952 81 Q CB 0.742 29.723 28.738 0.405 0.000 1.166 81 Q HN 0.425 nan 8.270 nan 0.000 0.381 82 R N 1.734 122.165 120.500 -0.115 0.000 2.541 82 R HA 0.174 4.513 4.340 -0.002 0.000 0.254 82 R C 0.100 176.446 176.300 0.078 0.000 1.130 82 R CA -0.462 55.612 56.100 -0.045 0.000 1.152 82 R CB 0.375 30.597 30.300 -0.131 0.000 1.222 82 R HN 0.868 nan 8.270 nan 0.000 0.579 83 E N -1.417 118.853 120.200 0.117 0.000 5.235 83 E HA -0.250 4.099 4.350 -0.002 0.000 0.181 83 E C -0.384 176.371 176.600 0.258 0.000 1.139 83 E CA 2.246 58.765 56.400 0.198 0.000 1.955 83 E CB -1.658 28.136 29.700 0.158 0.000 1.828 83 E HN 0.694 nan 8.360 nan 0.000 0.385 84 T N 1.825 116.564 114.554 0.309 0.000 2.867 84 T HA 0.145 4.494 4.350 -0.002 0.000 0.290 84 T C 0.145 174.957 174.700 0.188 0.000 1.025 84 T CA 1.164 63.420 62.100 0.260 0.000 1.146 84 T CB 0.384 69.450 68.868 0.329 0.000 1.024 84 T HN 0.143 nan 8.240 nan 0.000 0.519 85 T N 3.617 118.262 114.554 0.151 0.000 2.812 85 T HA 0.529 4.878 4.350 -0.002 0.000 0.282 85 T C -0.227 174.523 174.700 0.083 0.000 0.990 85 T CA -0.614 61.590 62.100 0.174 0.000 0.960 85 T CB 1.150 70.187 68.868 0.282 0.000 0.948 85 T HN 0.376 nan 8.240 nan 0.000 0.438 86 V N 3.442 123.361 119.914 0.009 0.000 2.581 86 V HA 0.696 4.815 4.120 -0.002 0.000 0.303 86 V C -0.367 175.799 176.094 0.121 0.000 1.041 86 V CA -0.789 61.482 62.300 -0.049 0.000 0.907 86 V CB 1.942 33.533 31.823 -0.386 0.000 0.994 86 V HN 0.656 nan 8.190 nan 0.000 0.442 87 V N 3.939 123.927 119.914 0.124 0.000 2.525 87 V HA 0.608 4.727 4.120 -0.002 0.000 0.299 87 V C -0.923 175.250 176.094 0.131 0.000 1.034 87 V CA -0.476 61.870 62.300 0.077 0.000 0.863 87 V CB 1.545 33.407 31.823 0.066 0.000 0.999 87 V HN 1.064 nan 8.190 nan 0.000 0.423 88 W N 2.856 124.043 121.300 -0.187 0.000 3.031 88 W HA 0.679 5.338 4.660 -0.002 0.000 0.337 88 W C -0.760 175.677 176.519 -0.137 0.000 1.187 88 W CA -0.918 56.331 57.345 -0.161 0.000 1.166 88 W CB 0.866 30.217 29.460 -0.181 0.000 1.437 88 W HN 0.510 nan 8.180 nan 0.000 0.551 89 D N 2.696 123.185 120.400 0.148 0.000 2.383 89 D HA -0.008 4.631 4.640 -0.002 0.000 0.252 89 D C 0.894 177.262 176.300 0.114 0.000 1.166 89 D CA 0.235 54.282 54.000 0.078 0.000 0.879 89 D CB 1.597 42.493 40.800 0.160 0.000 1.164 89 D HN 0.704 nan 8.370 nan 0.000 0.462 90 K N 3.021 123.340 120.400 -0.136 0.000 2.097 90 K HA -0.184 4.134 4.320 -0.002 0.000 0.205 90 K C 1.349 177.978 176.600 0.047 0.000 1.050 90 K CA 1.161 57.362 56.287 -0.144 0.000 0.938 90 K CB 0.092 32.323 32.500 -0.449 0.000 0.718 90 K HN 0.562 nan 8.250 nan 0.000 0.442 91 H N -1.190 118.001 119.070 0.201 0.000 2.403 91 H HA -0.046 4.509 4.556 -0.002 0.000 0.298 91 H C 2.199 177.649 175.328 0.204 0.000 1.059 91 H CA 1.859 58.014 56.048 0.178 0.000 1.363 91 H CB 0.031 29.857 29.762 0.107 0.000 1.410 91 H HN 0.361 nan 8.280 nan 0.000 0.528 92 T N -3.680 111.064 114.554 0.316 0.000 3.031 92 T HA 0.190 4.538 4.350 -0.002 0.000 0.254 92 T C 1.978 176.870 174.700 0.319 0.000 1.060 92 T CA 0.564 62.823 62.100 0.265 0.000 1.135 92 T CB -0.062 68.936 68.868 0.215 0.000 0.896 92 T HN 0.535 nan 8.240 nan 0.000 0.472 93 G N 1.999 111.073 108.800 0.456 0.000 2.143 93 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.249 93 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.249 93 G C 0.063 175.207 174.900 0.407 0.000 0.981 93 G CA -0.171 45.271 45.100 0.570 0.000 0.665 93 G HN 0.651 nan 8.290 nan 0.000 0.528 94 R N 0.424 121.130 120.500 0.343 0.000 2.312 94 R HA 0.415 4.754 4.340 -0.002 0.000 0.311 94 R C -2.608 173.837 176.300 0.242 0.000 1.004 94 R CA -1.915 54.344 56.100 0.266 0.000 0.902 94 R CB 1.103 31.520 30.300 0.194 0.000 1.073 94 R HN 0.102 nan 8.270 nan 0.000 0.457 95 P HA 0.045 nan 4.420 nan 0.000 0.269 95 P C 0.894 178.253 177.300 0.098 0.000 1.215 95 P CA 0.061 63.198 63.100 0.061 0.000 0.780 95 P CB 0.440 32.061 31.700 -0.132 0.000 0.898 96 I N -1.449 119.193 120.570 0.118 0.000 3.603 96 I HA 0.301 4.469 4.170 -0.002 0.000 0.297 96 I C -0.057 176.175 176.117 0.191 0.000 1.269 96 I CA 0.557 61.932 61.300 0.126 0.000 1.361 96 I CB -0.041 38.021 38.000 0.103 0.000 1.063 96 I HN 0.150 nan 8.210 nan 0.000 0.448 97 Y N 0.424 120.737 120.300 0.020 0.000 2.670 97 Y HA 0.439 4.988 4.550 -0.002 0.000 0.334 97 Y C -0.035 175.878 175.900 0.021 0.000 1.185 97 Y CA -1.339 56.770 58.100 0.015 0.000 1.053 97 Y CB 1.049 39.565 38.460 0.093 0.000 1.298 97 Y HN -0.003 nan 8.280 nan 0.000 0.459 98 H N 1.040 119.647 119.070 -0.771 0.000 2.964 98 H HA 0.375 4.929 4.556 -0.002 0.000 0.368 98 H C -0.295 174.956 175.328 -0.128 0.000 1.212 98 H CA 0.297 56.050 56.048 -0.491 0.000 1.421 98 H CB 0.611 29.983 29.762 -0.650 0.000 1.385 98 H HN 0.702 nan 8.280 nan 0.000 0.614 99 A N 2.438 125.273 122.820 0.025 0.000 2.363 99 A HA 0.267 4.586 4.320 -0.002 0.000 0.270 99 A C 0.042 177.636 177.584 0.018 0.000 1.121 99 A CA -0.446 51.601 52.037 0.017 0.000 0.800 99 A CB -0.007 18.992 19.000 -0.000 0.000 1.052 99 A HN 0.546 nan 8.150 nan 0.000 0.493 100 I N 3.526 124.114 120.570 0.031 0.000 2.337 100 I HA 0.148 4.316 4.170 -0.002 0.000 0.291 100 I C 0.009 176.073 176.117 -0.087 0.000 1.046 100 I CA -0.329 60.925 61.300 -0.077 0.000 1.324 100 I CB 0.997 38.915 38.000 -0.138 0.000 1.409 100 I HN 0.317 nan 8.210 nan 0.000 0.494 101 V N 6.688 126.481 119.914 -0.202 0.000 3.003 101 V HA 0.018 4.136 4.120 -0.002 0.000 0.305 101 V C 1.217 177.250 176.094 -0.101 0.000 1.078 101 V CA -0.356 61.815 62.300 -0.216 0.000 1.083 101 V CB 1.132 32.626 31.823 -0.550 0.000 1.039 101 V HN 0.912 nan 8.190 nan 0.000 0.481 102 W N 0.907 122.220 121.300 0.021 0.000 2.342 102 W HA -0.174 4.485 4.660 -0.002 0.000 0.297 102 W C 1.445 177.933 176.519 -0.051 0.000 1.213 102 W CA 1.107 58.499 57.345 0.079 0.000 1.251 102 W CB -0.831 28.776 29.460 0.246 0.000 1.136 102 W HN 0.638 nan 8.180 nan 0.000 0.526 103 Q N 1.174 120.520 119.800 -0.758 0.000 2.167 103 Q HA -0.098 4.240 4.340 -0.002 0.000 0.202 103 Q C 1.393 177.133 176.000 -0.434 0.000 0.970 103 Q CA 1.053 56.361 55.803 -0.825 0.000 0.855 103 Q CB -0.255 27.889 28.738 -0.991 0.000 0.911 103 Q HN 0.071 nan 8.270 nan 0.000 0.438 104 S N 0.282 115.791 115.700 -0.317 0.000 2.552 104 S HA -0.021 4.448 4.470 -0.002 0.000 0.289 104 S C 0.785 175.248 174.600 -0.228 0.000 1.304 104 S CA -0.176 57.886 58.200 -0.232 0.000 1.063 104 S CB 0.447 63.483 63.200 -0.273 0.000 0.848 104 S HN 0.182 nan 8.310 nan 0.000 0.499 105 R N 2.660 123.057 120.500 -0.173 0.000 2.359 105 R HA 0.055 4.393 4.340 -0.002 0.000 0.231 105 R C 1.927 178.077 176.300 -0.249 0.000 0.913 105 R CA 0.225 56.255 56.100 -0.117 0.000 1.075 105 R CB -0.405 29.907 30.300 0.021 0.000 1.087 105 R HN 0.889 nan 8.270 nan 0.000 0.515 106 Q N 0.322 119.745 119.800 -0.628 0.000 2.364 106 Q HA -0.077 4.262 4.340 -0.002 0.000 0.207 106 Q C 0.593 176.227 176.000 -0.610 0.000 0.970 106 Q CA 1.698 56.829 55.803 -1.120 0.000 0.888 106 Q CB -0.204 27.093 28.738 -2.402 0.000 0.951 106 Q HN 0.108 nan 8.270 nan 0.000 0.469 107 T N -3.321 111.000 114.554 -0.388 0.000 3.163 107 T HA 0.076 4.424 4.350 -0.002 0.000 0.252 107 T C 1.386 176.085 174.700 -0.001 0.000 1.056 107 T CA 0.221 62.256 62.100 -0.108 0.000 0.947 107 T CB 0.530 69.345 68.868 -0.089 0.000 1.016 107 T HN 0.172 nan 8.240 nan 0.000 0.554 108 Q N 3.182 122.979 119.800 -0.005 0.000 2.096 108 Q HA -0.207 4.131 4.340 -0.002 0.000 0.208 108 Q C 2.373 178.416 176.000 0.071 0.000 0.993 108 Q CA 2.717 58.550 55.803 0.050 0.000 0.862 108 Q CB -0.845 27.935 28.738 0.070 0.000 0.915 108 Q HN 0.737 nan 8.270 nan 0.000 0.416 109 S N -0.833 114.921 115.700 0.091 0.000 2.382 109 S HA -0.151 4.318 4.470 -0.002 0.000 0.228 109 S C 2.011 176.654 174.600 0.071 0.000 1.027 109 S CA 1.281 59.533 58.200 0.087 0.000 0.991 109 S CB -0.624 62.637 63.200 0.103 0.000 0.823 109 S HN 0.466 nan 8.310 nan 0.000 0.469 110 I N 1.309 121.924 120.570 0.075 0.000 2.163 110 I HA -0.194 3.975 4.170 -0.002 0.000 0.240 110 I C 2.669 178.805 176.117 0.032 0.000 1.081 110 I CA 1.158 62.490 61.300 0.053 0.000 1.353 110 I CB -0.651 37.385 38.000 0.061 0.000 1.054 110 I HN 0.408 nan 8.210 nan 0.000 0.407 111 C N 0.089 119.405 119.300 0.025 0.000 2.413 111 C HA -0.161 4.298 4.460 -0.002 0.000 0.276 111 C C 3.179 178.191 174.990 0.036 0.000 1.236 111 C CA 1.297 60.320 59.018 0.008 0.000 1.735 111 C CB -1.073 26.686 27.740 0.031 0.000 2.031 111 C HN 0.496 nan 8.230 nan 0.000 0.474 112 S N 0.534 116.267 115.700 0.055 0.000 2.370 112 S HA -0.213 4.256 4.470 -0.002 0.000 0.226 112 S C 1.799 176.437 174.600 0.063 0.000 1.033 112 S CA 1.881 60.117 58.200 0.061 0.000 1.011 112 S CB -0.410 62.827 63.200 0.062 0.000 0.852 112 S HN 0.718 nan 8.310 nan 0.000 0.457 113 E N 1.759 121.996 120.200 0.062 0.000 2.051 113 E HA -0.054 4.294 4.350 -0.002 0.000 0.192 113 E C 1.866 178.527 176.600 0.102 0.000 0.991 113 E CA 1.134 57.576 56.400 0.070 0.000 0.799 113 E CB -0.583 29.153 29.700 0.060 0.000 0.748 113 E HN 0.471 nan 8.360 nan 0.000 0.449 114 L N 0.112 121.400 121.223 0.109 0.000 2.131 114 L HA -0.184 4.155 4.340 -0.002 0.000 0.210 114 L C 2.436 179.431 176.870 0.208 0.000 1.092 114 L CA 1.493 56.448 54.840 0.191 0.000 0.759 114 L CB -0.276 41.859 42.059 0.127 0.000 0.903 114 L HN 0.112 nan 8.230 nan 0.000 0.435 115 K N -0.452 120.019 120.400 0.118 0.000 2.025 115 K HA -0.238 4.081 4.320 -0.002 0.000 0.207 115 K C 2.112 178.754 176.600 0.069 0.000 1.049 115 K CA 1.317 57.661 56.287 0.095 0.000 0.933 115 K CB -0.182 32.361 32.500 0.072 0.000 0.714 115 K HN 0.256 nan 8.250 nan 0.000 0.438 116 Q N 1.182 121.021 119.800 0.065 0.000 2.181 116 Q HA -0.217 4.121 4.340 -0.002 0.000 0.205 116 Q C 1.637 177.652 176.000 0.026 0.000 0.980 116 Q CA 1.477 57.305 55.803 0.042 0.000 0.862 116 Q CB 0.145 28.911 28.738 0.047 0.000 0.905 116 Q HN 0.383 nan 8.270 nan 0.000 0.429 117 Q N -1.308 118.528 119.800 0.059 0.000 2.451 117 Q HA 0.073 4.412 4.340 -0.002 0.000 0.206 117 Q C 0.637 176.482 176.000 -0.260 0.000 0.947 117 Q CA 0.491 56.303 55.803 0.015 0.000 0.937 117 Q CB 0.605 29.491 28.738 0.247 0.000 1.025 117 Q HN 0.609 nan 8.270 nan 0.000 0.511 118 G N -0.045 108.647 108.800 -0.180 0.000 2.130 118 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.216 118 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.216 118 G C 0.095 174.831 174.900 -0.273 0.000 0.999 118 G CA -0.165 44.789 45.100 -0.244 0.000 0.686 118 G HN 0.452 nan 8.290 nan 0.000 0.515 119 Y N -0.293 120.076 120.300 0.116 0.000 2.457 119 Y HA 0.305 4.853 4.550 -0.002 0.000 0.263 119 Y C 2.246 178.311 175.900 0.276 0.000 1.164 119 Y CA 0.736 58.944 58.100 0.180 0.000 1.274 119 Y CB 0.393 39.010 38.460 0.261 0.000 1.097 119 Y HN 0.465 nan 8.280 nan 0.000 0.523 120 E N 0.681 121.058 120.200 0.294 0.000 2.058 120 E HA -0.301 4.048 4.350 -0.002 0.000 0.194 120 E C 1.658 178.388 176.600 0.217 0.000 0.997 120 E CA 1.852 58.401 56.400 0.249 0.000 0.801 120 E CB 0.219 29.993 29.700 0.123 0.000 0.746 120 E HN 0.429 nan 8.360 nan 0.000 0.450 121 Q N -0.212 119.668 119.800 0.133 0.000 2.077 121 Q HA -0.173 4.165 4.340 -0.002 0.000 0.206 121 Q C 2.221 178.266 176.000 0.075 0.000 0.989 121 Q CA 2.339 58.189 55.803 0.078 0.000 0.853 121 Q CB -0.995 27.766 28.738 0.038 0.000 0.907 121 Q HN 0.260 nan 8.270 nan 0.000 0.418 122 T N 0.346 114.952 114.554 0.088 0.000 2.777 122 T HA -0.063 4.286 4.350 -0.002 0.000 0.266 122 T C 1.479 176.134 174.700 -0.076 0.000 1.040 122 T CA 1.094 63.189 62.100 -0.009 0.000 1.141 122 T CB -0.428 68.424 68.868 -0.026 0.000 0.868 122 T HN 0.164 nan 8.240 nan 0.000 0.444 123 F N 1.607 121.578 119.950 0.035 0.000 2.134 123 F HA -0.050 4.476 4.527 -0.002 0.000 0.299 123 F C 2.658 178.435 175.800 -0.037 0.000 1.097 123 F CA 1.108 59.105 58.000 -0.005 0.000 1.264 123 F CB -0.242 38.758 39.000 -0.001 0.000 1.001 123 F HN -0.013 nan 8.300 nan 0.000 0.479 124 R N 0.022 120.608 120.500 0.143 0.000 2.066 124 R HA -0.140 4.199 4.340 -0.002 0.000 0.232 124 R C 1.706 178.031 176.300 0.042 0.000 1.131 124 R CA 1.613 57.745 56.100 0.052 0.000 0.955 124 R CB -0.578 29.740 30.300 0.030 0.000 0.851 124 R HN 0.205 nan 8.270 nan 0.000 0.432 125 D N 0.522 120.941 120.400 0.032 0.000 2.144 125 D HA -0.102 4.536 4.640 -0.002 0.000 0.200 125 D C 1.558 177.900 176.300 0.071 0.000 0.978 125 D CA 1.314 55.322 54.000 0.013 0.000 0.833 125 D CB 0.061 40.841 40.800 -0.034 0.000 0.961 125 D HN 0.196 nan 8.370 nan 0.000 0.470 126 K N -0.705 119.721 120.400 0.043 0.000 2.284 126 K HA 0.040 4.359 4.320 -0.002 0.000 0.198 126 K C 1.760 178.377 176.600 0.029 0.000 1.048 126 K CA 1.114 57.438 56.287 0.062 0.000 0.987 126 K CB 0.449 32.912 32.500 -0.062 0.000 0.800 126 K HN 0.177 nan 8.250 nan 0.000 0.486 127 T N -4.116 110.441 114.554 0.005 0.000 2.959 127 T HA 0.193 4.541 4.350 -0.002 0.000 0.254 127 T C 1.343 175.994 174.700 -0.081 0.000 1.003 127 T CA 0.449 62.523 62.100 -0.043 0.000 0.950 127 T CB 0.829 69.687 68.868 -0.016 0.000 1.090 127 T HN 0.224 nan 8.240 nan 0.000 0.503 128 G N 1.454 110.228 108.800 -0.044 0.000 2.155 128 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.257 128 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.257 128 G C -0.010 174.815 174.900 -0.125 0.000 0.983 128 G CA 0.777 45.847 45.100 -0.051 0.000 0.676 128 G HN 0.648 nan 8.290 nan 0.000 0.528 129 L N -2.017 119.074 121.223 -0.219 0.000 2.670 129 L HA 0.997 5.335 4.340 -0.002 0.000 0.251 129 L C 0.209 176.910 176.870 -0.283 0.000 1.548 129 L CA -1.300 53.275 54.840 -0.440 0.000 1.643 129 L CB 0.979 42.408 42.059 -1.050 0.000 2.174 129 L HN 0.206 nan 8.230 nan 0.000 0.585 130 L N -0.857 120.199 121.223 -0.280 0.000 2.479 130 L HA 0.433 4.772 4.340 -0.002 0.000 0.255 130 L C -1.415 175.462 176.870 0.012 0.000 1.026 130 L CA -0.274 54.507 54.840 -0.098 0.000 0.842 130 L CB 1.958 43.894 42.059 -0.204 0.000 1.444 130 L HN 0.292 nan 8.230 nan 0.000 0.409 131 L N 3.287 124.509 121.223 -0.002 0.000 2.391 131 L HA 0.306 4.645 4.340 -0.002 0.000 0.249 131 L C -0.554 176.374 176.870 0.098 0.000 1.308 131 L CA 0.249 55.064 54.840 -0.042 0.000 1.209 131 L CB -0.679 41.312 42.059 -0.113 0.000 1.401 131 L HN 0.496 nan 8.230 nan 0.000 0.416 132 D N 1.395 121.936 120.400 0.235 0.000 2.342 132 D HA 0.268 4.907 4.640 -0.002 0.000 0.243 132 D C -2.023 174.397 176.300 0.200 0.000 1.019 132 D CA -1.882 52.285 54.000 0.277 0.000 0.864 132 D CB 3.021 44.088 40.800 0.444 0.000 1.315 132 D HN -0.036 nan 8.370 nan 0.000 0.468 133 P HA -0.125 nan 4.420 nan 0.000 0.226 133 P C 1.085 178.395 177.300 0.017 0.000 1.146 133 P CA 0.576 63.700 63.100 0.040 0.000 0.773 133 P CB -0.082 31.610 31.700 -0.012 0.000 0.772 134 Y N 0.470 120.637 120.300 -0.222 0.000 2.151 134 Y HA -0.140 4.409 4.550 -0.002 0.000 0.284 134 Y C 0.716 176.388 175.900 -0.381 0.000 1.166 134 Y CA 0.440 58.287 58.100 -0.422 0.000 1.163 134 Y CB -1.167 36.942 38.460 -0.584 0.000 0.974 134 Y HN -0.200 nan 8.280 nan 0.000 0.511 135 F N -1.118 118.904 119.950 0.120 0.000 2.370 135 F HA 0.464 4.990 4.527 -0.002 0.000 0.324 135 F C 1.636 177.466 175.800 0.050 0.000 1.116 135 F CA -0.281 57.717 58.000 -0.003 0.000 1.123 135 F CB 0.127 39.103 39.000 -0.039 0.000 1.238 135 F HN -0.082 nan 8.300 nan 0.000 0.536 136 A N 1.590 124.570 122.820 0.266 0.000 1.940 136 A HA -0.061 4.258 4.320 -0.002 0.000 0.219 136 A C 2.377 180.027 177.584 0.109 0.000 1.176 136 A CA 1.956 54.120 52.037 0.213 0.000 0.631 136 A CB -1.614 17.569 19.000 0.306 0.000 0.814 136 A HN 0.967 nan 8.150 nan 0.000 0.446 137 G N -0.056 108.794 108.800 0.083 0.000 2.553 137 G HA2 -0.367 3.591 3.960 -0.002 0.000 0.218 137 G HA3 -0.367 3.591 3.960 -0.002 0.000 0.218 137 G C 1.782 176.683 174.900 0.002 0.000 1.195 137 G CA 2.527 47.633 45.100 0.011 0.000 0.779 137 G HN 0.823 nan 8.290 nan 0.000 0.577 138 T N -0.820 113.746 114.554 0.020 0.000 2.962 138 T HA 0.035 4.384 4.350 -0.002 0.000 0.270 138 T C 2.102 176.840 174.700 0.062 0.000 1.088 138 T CA 1.567 63.682 62.100 0.025 0.000 1.127 138 T CB -0.166 68.708 68.868 0.011 0.000 0.883 138 T HN 0.435 nan 8.240 nan 0.000 0.493 139 K N 0.800 121.229 120.400 0.049 0.000 2.103 139 K HA 0.069 4.388 4.320 -0.002 0.000 0.204 139 K C 2.326 178.992 176.600 0.109 0.000 1.052 139 K CA 0.984 57.303 56.287 0.054 0.000 0.945 139 K CB -0.372 32.151 32.500 0.040 0.000 0.722 139 K HN 0.218 nan 8.250 nan 0.000 0.443 140 V N 2.083 122.032 119.914 0.058 0.000 2.270 140 V HA -0.254 3.864 4.120 -0.002 0.000 0.245 140 V C 2.409 178.514 176.094 0.019 0.000 1.043 140 V CA 1.738 64.051 62.300 0.022 0.000 1.014 140 V CB -0.444 31.294 31.823 -0.141 0.000 0.645 140 V HN 0.308 nan 8.190 nan 0.000 0.447 141 K N -1.069 119.334 120.400 0.005 0.000 2.032 141 K HA -0.295 4.024 4.320 -0.002 0.000 0.209 141 K C 2.020 178.628 176.600 0.013 0.000 1.048 141 K CA 2.296 58.579 56.287 -0.006 0.000 0.927 141 K CB -0.394 32.103 32.500 -0.005 0.000 0.712 141 K HN 0.524 nan 8.250 nan 0.000 0.441 142 W N 1.449 122.679 121.300 -0.117 0.000 2.318 142 W HA -0.242 4.416 4.660 -0.002 0.000 0.313 142 W C 1.653 178.056 176.519 -0.194 0.000 1.221 142 W CA 2.126 59.377 57.345 -0.158 0.000 1.266 142 W CB -0.200 29.141 29.460 -0.197 0.000 1.150 142 W HN 0.069 nan 8.180 nan 0.000 0.496 143 I N -0.063 120.622 120.570 0.191 0.000 2.179 143 I HA -0.354 3.815 4.170 -0.002 0.000 0.242 143 I C 2.364 178.409 176.117 -0.120 0.000 1.088 143 I CA 1.406 62.728 61.300 0.037 0.000 1.357 143 I CB -0.837 37.222 38.000 0.100 0.000 1.051 143 I HN -0.004 nan 8.210 nan 0.000 0.409 144 L N 0.175 121.345 121.223 -0.088 0.000 2.083 144 L HA -0.220 4.119 4.340 -0.002 0.000 0.209 144 L C 1.915 178.689 176.870 -0.159 0.000 1.083 144 L CA 1.165 55.940 54.840 -0.107 0.000 0.752 144 L CB -0.587 41.422 42.059 -0.083 0.000 0.899 144 L HN 0.272 nan 8.230 nan 0.000 0.433 145 D N -0.725 119.545 120.400 -0.218 0.000 2.213 145 D HA -0.072 4.567 4.640 -0.002 0.000 0.205 145 D C 1.763 177.845 176.300 -0.363 0.000 0.961 145 D CA 0.781 54.627 54.000 -0.257 0.000 0.853 145 D CB -0.018 40.634 40.800 -0.247 0.000 0.967 145 D HN 0.284 nan 8.370 nan 0.000 0.496 146 N N -0.146 118.209 118.700 -0.574 0.000 2.368 146 N HA 0.027 4.766 4.740 -0.002 0.000 0.178 146 N C -0.019 175.207 175.510 -0.473 0.000 1.076 146 N CA 0.122 52.743 53.050 -0.715 0.000 0.889 146 N CB 1.594 39.129 38.487 -1.587 0.000 1.040 146 N HN -0.024 nan 8.380 nan 0.000 0.463 147 V N 2.526 122.232 119.914 -0.347 0.000 2.385 147 V HA 0.091 4.210 4.120 -0.002 0.000 0.269 147 V C 0.436 176.470 176.094 -0.099 0.000 1.043 147 V CA -0.789 61.411 62.300 -0.166 0.000 0.906 147 V CB 1.100 32.872 31.823 -0.084 0.000 0.995 147 V HN 0.080 nan 8.190 nan 0.000 0.467 148 E N 4.162 124.325 120.200 -0.062 0.000 2.652 148 E HA 0.246 4.595 4.350 -0.002 0.000 0.255 148 E C 1.301 177.885 176.600 -0.027 0.000 0.952 148 E CA 1.453 57.828 56.400 -0.042 0.000 0.947 148 E CB 0.058 29.746 29.700 -0.020 0.000 0.912 148 E HN 0.985 nan 8.360 nan 0.000 0.489 149 G N 2.981 111.761 108.800 -0.032 0.000 2.234 149 G HA2 -0.386 3.573 3.960 -0.002 0.000 0.260 149 G HA3 -0.386 3.573 3.960 -0.002 0.000 0.260 149 G C 1.139 176.025 174.900 -0.024 0.000 0.987 149 G CA 0.657 45.744 45.100 -0.021 0.000 0.625 149 G HN 0.943 nan 8.290 nan 0.000 0.532 150 A N 0.435 123.234 122.820 -0.036 0.000 1.865 150 A HA 0.022 4.340 4.320 -0.002 0.000 0.217 150 A C 2.173 179.728 177.584 -0.048 0.000 1.191 150 A CA 2.588 54.601 52.037 -0.040 0.000 0.623 150 A CB -0.568 18.397 19.000 -0.058 0.000 0.826 150 A HN 0.669 nan 8.150 nan 0.000 0.444 151 R N -0.211 120.253 120.500 -0.060 0.000 2.096 151 R HA -0.171 4.167 4.340 -0.002 0.000 0.235 151 R C 1.937 178.210 176.300 -0.045 0.000 1.127 151 R CA 1.822 57.887 56.100 -0.059 0.000 0.968 151 R CB -0.223 30.038 30.300 -0.065 0.000 0.861 151 R HN 0.643 nan 8.270 nan 0.000 0.440 152 E N 0.165 120.343 120.200 -0.037 0.000 2.106 152 E HA -0.153 4.196 4.350 -0.002 0.000 0.192 152 E C 1.794 178.381 176.600 -0.021 0.000 0.984 152 E CA 1.370 57.754 56.400 -0.027 0.000 0.806 152 E CB 0.041 29.728 29.700 -0.021 0.000 0.750 152 E HN 0.300 nan 8.360 nan 0.000 0.458 153 K N 0.548 120.937 120.400 -0.019 0.000 2.026 153 K HA -0.083 4.235 4.320 -0.002 0.000 0.208 153 K C 2.231 178.814 176.600 -0.027 0.000 1.048 153 K CA 1.279 57.559 56.287 -0.011 0.000 0.929 153 K CB -0.224 32.273 32.500 -0.006 0.000 0.713 153 K HN 0.128 nan 8.250 nan 0.000 0.439 154 A N 2.178 124.970 122.820 -0.046 0.000 1.930 154 A HA -0.194 4.124 4.320 -0.002 0.000 0.217 154 A C 1.915 179.467 177.584 -0.055 0.000 1.175 154 A CA 1.680 53.678 52.037 -0.064 0.000 0.627 154 A CB -0.442 18.514 19.000 -0.075 0.000 0.815 154 A HN 0.520 nan 8.150 nan 0.000 0.443 155 E N -0.647 119.527 120.200 -0.043 0.000 2.482 155 E HA -0.076 4.273 4.350 -0.002 0.000 0.196 155 E C 0.221 176.807 176.600 -0.024 0.000 1.047 155 E CA 0.802 57.180 56.400 -0.036 0.000 0.869 155 E CB -0.291 29.388 29.700 -0.035 0.000 0.836 155 E HN 0.475 nan 8.360 nan 0.000 0.520 156 N N 0.561 119.251 118.700 -0.017 0.000 2.270 156 N HA 0.122 4.861 4.740 -0.002 0.000 0.198 156 N C 0.785 176.301 175.510 0.010 0.000 1.117 156 N CA 0.716 53.765 53.050 -0.002 0.000 0.845 156 N CB 1.113 39.603 38.487 0.004 0.000 0.980 156 N HN 0.371 nan 8.380 nan 0.000 0.486 157 G N 0.679 109.473 108.800 -0.009 0.000 2.153 157 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.252 157 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.252 157 G C 0.436 175.338 174.900 0.002 0.000 0.994 157 G CA 0.641 45.734 45.100 -0.012 0.000 0.698 157 G HN 0.295 nan 8.290 nan 0.000 0.521 158 D N -0.327 120.085 120.400 0.020 0.000 2.277 158 D HA 0.178 4.817 4.640 -0.002 0.000 0.208 158 D C 1.610 177.850 176.300 -0.099 0.000 0.962 158 D CA 0.614 54.646 54.000 0.053 0.000 0.865 158 D CB 0.188 41.047 40.800 0.099 0.000 0.939 158 D HN 0.551 nan 8.370 nan 0.000 0.510 159 L N 0.472 121.605 121.223 -0.150 0.000 2.334 159 L HA 0.505 4.844 4.340 -0.002 0.000 0.270 159 L C -0.278 176.341 176.870 -0.417 0.000 1.018 159 L CA -0.772 53.909 54.840 -0.264 0.000 0.811 159 L CB 1.772 43.719 42.059 -0.187 0.000 1.271 159 L HN -0.204 nan 8.230 nan 0.000 0.443 160 L N 1.321 122.107 121.223 -0.729 0.000 2.388 160 L HA 0.518 4.857 4.340 -0.002 0.000 0.264 160 L C -1.054 175.219 176.870 -0.996 0.000 0.998 160 L CA -0.538 53.708 54.840 -0.990 0.000 0.817 160 L CB 2.625 43.622 42.059 -1.769 0.000 1.338 160 L HN 0.383 nan 8.230 nan 0.000 0.414 161 F N 0.995 120.541 119.950 -0.672 0.000 2.492 161 F HA 0.888 5.414 4.527 -0.002 0.000 0.327 161 F C -0.033 175.684 175.800 -0.138 0.000 1.079 161 F CA -0.422 57.344 58.000 -0.390 0.000 0.967 161 F CB 2.083 40.943 39.000 -0.233 0.000 1.169 161 F HN 0.361 nan 8.300 nan 0.000 0.472 162 G N 1.984 109.934 108.800 -1.418 0.000 2.667 162 G HA2 0.461 4.420 3.960 -0.002 0.000 0.294 162 G HA3 0.461 4.420 3.960 -0.002 0.000 0.294 162 G C -1.274 173.172 174.900 -0.756 0.000 1.467 162 G CA -0.430 44.032 45.100 -1.063 0.000 0.852 162 G HN 0.858 nan 8.290 nan 0.000 0.521 163 T N -0.039 114.272 114.554 -0.404 0.000 2.732 163 T HA 0.356 4.705 4.350 -0.002 0.000 0.287 163 T C 1.690 176.412 174.700 0.036 0.000 0.993 163 T CA -0.704 61.367 62.100 -0.047 0.000 0.966 163 T CB 0.807 69.717 68.868 0.070 0.000 1.047 163 T HN 0.209 nan 8.240 nan 0.000 0.527 164 I N 2.113 122.740 120.570 0.096 0.000 2.208 164 I HA -0.179 3.990 4.170 -0.002 0.000 0.245 164 I C 2.547 178.747 176.117 0.137 0.000 1.097 164 I CA 1.699 63.089 61.300 0.151 0.000 1.363 164 I CB -1.501 36.597 38.000 0.164 0.000 1.051 164 I HN 0.845 nan 8.210 nan 0.000 0.413 165 D N 0.272 120.717 120.400 0.075 0.000 2.116 165 D HA -0.221 4.417 4.640 -0.002 0.000 0.193 165 D C 1.845 178.154 176.300 0.015 0.000 0.998 165 D CA 2.207 56.221 54.000 0.025 0.000 0.836 165 D CB -0.993 39.793 40.800 -0.022 0.000 0.951 165 D HN 0.237 nan 8.370 nan 0.000 0.449 166 T N 0.027 114.605 114.554 0.040 0.000 2.708 166 T HA -0.172 4.177 4.350 -0.002 0.000 0.266 166 T C 1.494 176.308 174.700 0.190 0.000 1.037 166 T CA 1.322 63.483 62.100 0.103 0.000 1.146 166 T CB -0.744 68.175 68.868 0.086 0.000 0.865 166 T HN 0.408 nan 8.240 nan 0.000 0.435 167 W N 1.669 122.897 121.300 -0.120 0.000 2.318 167 W HA -0.167 4.491 4.660 -0.003 0.000 0.313 167 W C 1.703 178.032 176.519 -0.316 0.000 1.221 167 W CA 1.042 58.139 57.345 -0.412 0.000 1.266 167 W CB -0.393 28.832 29.460 -0.392 0.000 1.150 167 W HN 0.245 nan 8.180 nan 0.000 0.496 168 L N 0.089 121.190 121.223 -0.204 0.000 2.072 168 L HA -0.224 4.114 4.340 -0.002 0.000 0.205 168 L C 2.386 179.092 176.870 -0.272 0.000 1.079 168 L CA 0.954 55.607 54.840 -0.312 0.000 0.752 168 L CB -1.243 40.797 42.059 -0.031 0.000 0.906 168 L HN -0.178 nan 8.230 nan 0.000 0.436 169 V N -1.281 118.562 119.914 -0.119 0.000 2.427 169 V HA -0.274 3.845 4.120 -0.002 0.000 0.248 169 V C 2.069 178.119 176.094 -0.073 0.000 1.051 169 V CA 1.708 63.960 62.300 -0.080 0.000 1.048 169 V CB -0.535 31.245 31.823 -0.073 0.000 0.666 169 V HN 0.579 nan 8.190 nan 0.000 0.456 170 W N 1.132 122.290 121.300 -0.237 0.000 2.355 170 W HA -0.136 4.523 4.660 -0.003 0.000 0.309 170 W C 2.489 178.745 176.519 -0.437 0.000 1.206 170 W CA 1.618 58.834 57.345 -0.216 0.000 1.284 170 W CB -0.005 29.407 29.460 -0.079 0.000 1.145 170 W HN -0.007 nan 8.180 nan 0.000 0.502 171 K N -0.151 119.882 120.400 -0.611 0.000 2.062 171 K HA -0.141 4.178 4.320 -0.002 0.000 0.205 171 K C 1.927 178.068 176.600 -0.764 0.000 1.051 171 K CA 1.206 56.837 56.287 -1.095 0.000 0.941 171 K CB -1.345 29.759 32.500 -2.326 0.000 0.719 171 K HN 0.235 nan 8.250 nan 0.000 0.440 172 L N 1.905 122.791 121.223 -0.562 0.000 2.131 172 L HA -0.114 4.225 4.340 -0.002 0.000 0.210 172 L C 2.009 178.822 176.870 -0.094 0.000 1.092 172 L CA 1.820 56.604 54.840 -0.093 0.000 0.759 172 L CB -0.617 41.443 42.059 0.001 0.000 0.903 172 L HN 0.187 nan 8.230 nan 0.000 0.435 173 S N -1.086 114.495 115.700 -0.199 0.000 2.593 173 S HA 0.245 4.714 4.470 -0.002 0.000 0.217 173 S C 1.371 175.801 174.600 -0.283 0.000 0.966 173 S CA 0.146 58.227 58.200 -0.200 0.000 0.914 173 S CB -0.639 62.468 63.200 -0.155 0.000 0.776 173 S HN 0.753 nan 8.310 nan 0.000 0.523 174 G N 2.346 110.938 108.800 -0.346 0.000 2.272 174 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.280 174 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.280 174 G C 0.316 174.904 174.900 -0.519 0.000 1.067 174 G CA 0.091 44.965 45.100 -0.376 0.000 0.902 174 G HN 0.599 nan 8.290 nan 0.000 0.500 175 K N -3.346 116.499 120.400 -0.926 0.000 3.446 175 K HA -0.292 4.026 4.320 -0.002 0.000 0.312 175 K C 1.876 178.132 176.600 -0.574 0.000 1.329 175 K CA 1.457 56.949 56.287 -1.326 0.000 0.935 175 K CB -1.925 29.973 32.500 -1.002 0.000 1.281 175 K HN 1.434 nan 8.250 nan 0.000 0.457 176 A N 0.714 123.322 122.820 -0.354 0.000 1.970 176 A HA 0.364 4.683 4.320 -0.002 0.000 0.216 176 A C 0.978 178.553 177.584 -0.015 0.000 1.170 176 A CA 1.228 53.183 52.037 -0.137 0.000 0.645 176 A CB 0.230 19.163 19.000 -0.112 0.000 0.816 176 A HN 0.471 nan 8.150 nan 0.000 0.447 177 A N -0.549 122.279 122.820 0.013 0.000 2.319 177 A HA 0.567 4.885 4.320 -0.002 0.000 0.310 177 A C -0.702 177.087 177.584 0.342 0.000 1.152 177 A CA -0.350 51.771 52.037 0.140 0.000 0.783 177 A CB 0.247 19.303 19.000 0.094 0.000 1.184 177 A HN 0.460 nan 8.150 nan 0.000 0.474 178 H N 3.717 122.945 119.070 0.263 0.000 2.632 178 H HA 0.538 5.093 4.556 -0.002 0.000 0.258 178 H C -1.034 174.383 175.328 0.149 0.000 1.278 178 H CA -0.412 55.820 56.048 0.308 0.000 1.352 178 H CB 0.201 30.145 29.762 0.304 0.000 1.418 178 H HN 0.732 nan 8.280 nan 0.000 0.513 179 I N 0.573 121.149 120.570 0.010 0.000 3.174 179 I HA 0.644 4.813 4.170 -0.002 0.000 0.313 179 I C -0.903 175.115 176.117 -0.165 0.000 1.155 179 I CA -0.838 60.395 61.300 -0.112 0.000 0.977 179 I CB 2.502 40.416 38.000 -0.144 0.000 1.248 179 I HN 0.233 nan 8.210 nan 0.000 0.453 180 T N 0.751 115.192 114.554 -0.188 0.000 2.853 180 T HA 0.424 4.773 4.350 -0.002 0.000 0.311 180 T C -1.786 172.743 174.700 -0.285 0.000 1.307 180 T CA -0.498 61.481 62.100 -0.201 0.000 1.019 180 T CB 1.204 70.019 68.868 -0.088 0.000 1.264 180 T HN 1.042 nan 8.240 nan 0.000 0.497 181 D N 1.226 121.466 120.400 -0.267 0.000 2.466 181 D HA 0.200 4.839 4.640 -0.002 0.000 0.262 181 D C 0.851 176.939 176.300 -0.354 0.000 1.177 181 D CA -0.355 53.473 54.000 -0.288 0.000 1.035 181 D CB 0.416 41.144 40.800 -0.121 0.000 1.105 181 D HN 0.533 nan 8.370 nan 0.000 0.551 182 Y N 0.136 120.310 120.300 -0.210 0.000 2.128 182 Y HA -0.233 4.316 4.550 -0.002 0.000 0.284 182 Y C 2.998 178.716 175.900 -0.303 0.000 1.154 182 Y CA 1.980 59.885 58.100 -0.324 0.000 1.149 182 Y CB -0.952 37.403 38.460 -0.174 0.000 0.976 182 Y HN 0.528 nan 8.280 nan 0.000 0.505 183 S N 0.170 115.870 115.700 -0.000 0.000 2.359 183 S HA -0.259 4.210 4.470 -0.002 0.000 0.223 183 S C 1.921 176.484 174.600 -0.062 0.000 1.039 183 S CA 1.660 59.848 58.200 -0.020 0.000 1.042 183 S CB -0.752 62.468 63.200 0.033 0.000 0.915 183 S HN 0.470 nan 8.310 nan 0.000 0.439 184 N N 2.375 121.027 118.700 -0.081 0.000 2.120 184 N HA 0.043 4.782 4.740 -0.002 0.000 0.188 184 N C 2.052 177.519 175.510 -0.073 0.000 1.024 184 N CA 1.438 54.455 53.050 -0.055 0.000 0.852 184 N CB -0.825 37.638 38.487 -0.040 0.000 1.003 184 N HN 0.646 nan 8.380 nan 0.000 0.424 185 A N 0.880 123.546 122.820 -0.256 0.000 1.933 185 A HA -0.131 4.188 4.320 -0.002 0.000 0.218 185 A C 2.318 179.719 177.584 -0.305 0.000 1.175 185 A CA 1.906 53.681 52.037 -0.436 0.000 0.628 185 A CB -0.711 17.512 19.000 -1.296 0.000 0.814 185 A HN 0.448 nan 8.150 nan 0.000 0.444 186 S N -0.647 114.909 115.700 -0.241 0.000 2.507 186 S HA -0.085 4.384 4.470 -0.002 0.000 0.235 186 S C 1.402 176.019 174.600 0.029 0.000 0.988 186 S CA 0.787 59.004 58.200 0.027 0.000 0.944 186 S CB -0.243 62.984 63.200 0.045 0.000 0.762 186 S HN 0.495 nan 8.310 nan 0.000 0.526 187 R N 1.353 121.873 120.500 0.034 0.000 2.393 187 R HA 0.187 4.526 4.340 -0.002 0.000 0.244 187 R C 1.626 178.025 176.300 0.166 0.000 0.920 187 R CA 0.905 57.051 56.100 0.078 0.000 1.076 187 R CB -1.024 29.327 30.300 0.085 0.000 1.119 187 R HN 0.764 nan 8.270 nan 0.000 0.524 188 T N -2.438 112.221 114.554 0.175 0.000 3.065 188 T HA 0.242 4.591 4.350 -0.002 0.000 0.252 188 T C 0.982 175.798 174.700 0.193 0.000 1.099 188 T CA -0.202 62.042 62.100 0.240 0.000 1.063 188 T CB 0.254 69.335 68.868 0.355 0.000 0.948 188 T HN 0.110 nan 8.240 nan 0.000 0.506 192 N N 6.364 124.724 118.700 -0.567 0.000 2.411 192 N HA 0.227 4.965 4.740 -0.002 0.000 0.259 192 N C 0.921 176.028 175.510 -0.670 0.000 1.103 192 N CA -0.139 52.644 53.050 -0.445 0.000 0.954 192 N CB 1.020 39.322 38.487 -0.308 0.000 1.085 192 N HN 0.823 nan 8.380 nan 0.000 0.485 193 I N 1.280 121.604 120.570 -0.410 0.000 3.428 193 I HA 0.028 4.196 4.170 -0.002 0.000 0.286 193 I C 0.788 176.720 176.117 -0.309 0.000 1.287 193 I CA 0.321 61.443 61.300 -0.297 0.000 1.396 193 I CB -0.100 37.813 38.000 -0.146 0.000 1.062 193 I HN 0.396 nan 8.210 nan 0.000 0.471 194 H N 1.366 120.371 119.070 -0.108 0.000 2.361 194 H HA 0.093 4.647 4.556 -0.002 0.000 0.308 194 H C 0.990 176.253 175.328 -0.108 0.000 1.053 194 H CA 1.185 57.174 56.048 -0.099 0.000 1.377 194 H CB -0.019 29.667 29.762 -0.127 0.000 1.434 194 H HN 0.389 nan 8.280 nan 0.000 0.548 195 D N 0.888 121.247 120.400 -0.069 0.000 2.349 195 D HA 0.059 4.698 4.640 -0.002 0.000 0.215 195 D C 0.712 176.897 176.300 -0.191 0.000 1.016 195 D CA 0.016 53.951 54.000 -0.109 0.000 0.870 195 D CB 0.330 41.062 40.800 -0.113 0.000 0.917 195 D HN 0.182 nan 8.370 nan 0.000 0.524 196 L N 0.924 121.940 121.223 -0.345 0.000 3.601 196 L HA -0.269 4.070 4.340 -0.002 0.000 0.469 196 L C -0.049 176.542 176.870 -0.466 0.000 1.294 196 L CA 0.517 55.108 54.840 -0.415 0.000 0.829 196 L CB -1.747 40.264 42.059 -0.080 0.000 1.628 196 L HN 0.288 nan 8.230 nan 0.000 0.868 197 E N -1.689 117.989 120.200 -0.870 0.000 2.407 197 E HA 0.333 4.682 4.350 -0.002 0.000 0.279 197 E C -0.950 175.390 176.600 -0.433 0.000 1.012 197 E CA -1.144 54.978 56.400 -0.464 0.000 0.800 197 E CB 0.614 30.227 29.700 -0.145 0.000 1.276 197 E HN 0.154 nan 8.360 nan 0.000 0.452 198 W N 2.002 123.343 121.300 0.068 0.000 2.347 198 W HA 0.064 4.722 4.660 -0.002 0.000 0.333 198 W C 0.508 177.008 176.519 -0.032 0.000 1.383 198 W CA 0.210 57.605 57.345 0.083 0.000 1.283 198 W CB 0.411 29.928 29.460 0.095 0.000 1.253 198 W HN 0.342 nan 8.180 nan 0.000 0.563 199 D N 3.678 124.194 120.400 0.194 0.000 2.317 199 D HA -0.005 4.634 4.640 -0.002 0.000 0.234 199 D C 0.615 176.933 176.300 0.030 0.000 1.112 199 D CA -0.171 53.852 54.000 0.039 0.000 0.840 199 D CB 1.051 41.827 40.800 -0.041 0.000 1.078 199 D HN 0.383 nan 8.370 nan 0.000 0.486 200 D N 2.765 123.172 120.400 0.011 0.000 2.133 200 D HA -0.210 4.429 4.640 -0.002 0.000 0.195 200 D C 1.470 177.738 176.300 -0.053 0.000 0.997 200 D CA 1.006 54.999 54.000 -0.012 0.000 0.840 200 D CB 0.174 40.966 40.800 -0.013 0.000 0.947 200 D HN 0.665 nan 8.370 nan 0.000 0.452 201 E N 0.280 120.430 120.200 -0.083 0.000 2.077 201 E HA -0.142 4.207 4.350 -0.002 0.000 0.193 201 E C 2.330 178.818 176.600 -0.187 0.000 0.989 201 E CA 0.543 56.864 56.400 -0.131 0.000 0.800 201 E CB -0.043 29.570 29.700 -0.147 0.000 0.746 201 E HN 0.247 nan 8.360 nan 0.000 0.452 202 L N 0.547 121.648 121.223 -0.203 0.000 2.046 202 L HA -0.198 4.140 4.340 -0.002 0.000 0.208 202 L C 2.697 179.538 176.870 -0.048 0.000 1.077 202 L CA 0.827 55.537 54.840 -0.218 0.000 0.747 202 L CB -0.545 41.404 42.059 -0.182 0.000 0.896 202 L HN 0.232 nan 8.230 nan 0.000 0.432 203 L N -0.211 120.991 121.223 -0.036 0.000 2.042 203 L HA -0.221 4.118 4.340 -0.002 0.000 0.210 203 L C 2.593 179.427 176.870 -0.059 0.000 1.076 203 L CA 1.402 56.215 54.840 -0.045 0.000 0.749 203 L CB -0.513 41.513 42.059 -0.055 0.000 0.893 203 L HN 0.295 nan 8.230 nan 0.000 0.432 204 E N 0.084 120.241 120.200 -0.073 0.000 2.077 204 E HA -0.217 4.131 4.350 -0.002 0.000 0.193 204 E C 2.346 178.892 176.600 -0.091 0.000 0.989 204 E CA 1.068 57.420 56.400 -0.080 0.000 0.800 204 E CB -0.148 29.500 29.700 -0.087 0.000 0.746 204 E HN 0.448 nan 8.360 nan 0.000 0.452 205 L N 0.359 121.510 121.223 -0.120 0.000 2.141 205 L HA -0.151 4.188 4.340 -0.002 0.000 0.209 205 L C 2.077 178.940 176.870 -0.011 0.000 1.094 205 L CA 0.807 55.569 54.840 -0.130 0.000 0.763 205 L CB -0.123 41.809 42.059 -0.213 0.000 0.908 205 L HN 0.158 nan 8.230 nan 0.000 0.437 206 L N -0.524 120.717 121.223 0.031 0.000 2.592 206 L HA 0.033 4.371 4.340 -0.002 0.000 0.227 206 L C 1.018 177.872 176.870 -0.027 0.000 1.127 206 L CA 0.373 55.229 54.840 0.028 0.000 0.884 206 L CB -0.439 41.653 42.059 0.056 0.000 1.065 206 L HN 0.430 nan 8.230 nan 0.000 0.457 207 T N -3.020 111.507 114.554 -0.044 0.000 3.946 207 T HA -0.185 4.163 4.350 -0.002 0.000 0.356 207 T C -0.117 174.539 174.700 -0.075 0.000 0.758 207 T CA 0.216 62.281 62.100 -0.058 0.000 1.911 207 T CB -2.764 66.072 68.868 -0.053 0.000 1.835 207 T HN 0.007 nan 8.240 nan 0.000 0.807 208 V N 2.086 121.946 119.914 -0.091 0.000 2.357 208 V HA 0.537 4.655 4.120 -0.002 0.000 0.284 208 V C -1.844 174.170 176.094 -0.133 0.000 1.018 208 V CA -1.873 60.349 62.300 -0.130 0.000 0.841 208 V CB 1.546 33.259 31.823 -0.183 0.000 0.991 208 V HN 0.340 nan 8.190 nan 0.000 0.437 209 P HA 0.254 nan 4.420 nan 0.000 0.275 209 P C 0.557 177.767 177.300 -0.150 0.000 1.228 209 P CA -0.410 62.621 63.100 -0.114 0.000 0.786 209 P CB 0.964 32.608 31.700 -0.093 0.000 0.927 210 K N 1.746 122.067 120.400 -0.132 0.000 2.283 210 K HA -0.112 4.207 4.320 -0.002 0.000 0.202 210 K C 0.845 177.349 176.600 -0.161 0.000 1.048 210 K CA 0.615 56.801 56.287 -0.168 0.000 0.948 210 K CB -0.255 32.185 32.500 -0.100 0.000 0.742 210 K HN 0.608 nan 8.250 nan 0.000 0.458 214 P HA 0.199 nan 4.420 nan 0.000 0.282 214 P C -1.313 176.040 177.300 0.088 0.000 1.287 214 P CA -0.401 62.423 63.100 -0.459 0.000 0.792 214 P CB 0.987 32.383 31.700 -0.507 0.000 1.163 215 E N -0.089 120.145 120.200 0.057 0.000 2.227 215 E HA 0.302 4.651 4.350 -0.002 0.000 0.282 215 E C -0.866 175.770 176.600 0.059 0.000 1.015 215 E CA -0.743 55.746 56.400 0.147 0.000 0.823 215 E CB 0.855 30.612 29.700 0.095 0.000 1.081 215 E HN 0.071 nan 8.360 nan 0.000 0.396 216 V N 5.691 125.615 119.914 0.016 0.000 2.461 216 V HA 0.271 4.389 4.120 -0.002 0.000 0.275 216 V C 0.358 176.251 176.094 -0.335 0.000 1.047 216 V CA -0.292 61.858 62.300 -0.250 0.000 0.955 216 V CB 0.990 32.554 31.823 -0.432 0.000 0.988 216 V HN 0.626 nan 8.190 nan 0.000 0.471 217 K N 2.377 122.508 120.400 -0.448 0.000 2.378 217 K HA 0.807 5.125 4.320 -0.002 0.000 0.244 217 K C 0.045 176.305 176.600 -0.567 0.000 1.039 217 K CA -0.674 55.402 56.287 -0.351 0.000 0.863 217 K CB 2.311 34.812 32.500 0.002 0.000 1.326 217 K HN 0.665 nan 8.250 nan 0.000 0.460 218 A N 0.381 123.091 122.820 -0.184 0.000 2.346 218 A HA 0.153 4.471 4.320 -0.002 0.000 0.255 218 A C 0.885 178.527 177.584 0.097 0.000 1.113 218 A CA 0.178 52.234 52.037 0.031 0.000 0.798 218 A CB 0.038 19.115 19.000 0.128 0.000 1.073 218 A HN 0.631 nan 8.150 nan 0.000 0.502 219 S N -0.780 115.002 115.700 0.137 0.000 2.503 219 S HA 0.134 4.602 4.470 -0.002 0.000 0.217 219 S C 0.743 175.395 174.600 0.086 0.000 0.999 219 S CA 0.791 59.063 58.200 0.121 0.000 0.914 219 S CB 0.040 63.295 63.200 0.093 0.000 0.782 219 S HN 0.707 nan 8.310 nan 0.000 0.520 220 S N 1.438 117.149 115.700 0.019 0.000 2.733 220 S HA 0.555 5.024 4.470 -0.002 0.000 0.307 220 S C -1.039 173.467 174.600 -0.156 0.000 1.127 220 S CA -0.511 57.646 58.200 -0.071 0.000 1.097 220 S CB 0.633 63.789 63.200 -0.073 0.000 1.003 220 S HN 0.389 nan 8.310 nan 0.000 0.477 221 E N 3.212 123.170 120.200 -0.404 0.000 2.431 221 E HA 0.237 4.586 4.350 -0.002 0.000 0.287 221 E C -1.613 174.482 176.600 -0.842 0.000 1.032 221 E CA -0.654 55.430 56.400 -0.527 0.000 0.839 221 E CB 1.217 30.647 29.700 -0.451 0.000 1.218 221 E HN 0.397 nan 8.360 nan 0.000 0.424 222 V N 5.547 125.183 119.914 -0.462 0.000 2.403 222 V HA 0.004 4.122 4.120 -0.002 0.000 0.265 222 V C 0.263 176.147 176.094 -0.349 0.000 1.034 222 V CA 0.682 62.765 62.300 -0.362 0.000 1.036 222 V CB -0.366 31.351 31.823 -0.177 0.000 1.032 222 V HN 0.668 nan 8.190 nan 0.000 0.478 223 Y N 3.518 123.795 120.300 -0.037 0.000 2.517 223 Y HA 0.444 4.993 4.550 -0.002 0.000 0.281 223 Y C 1.529 177.410 175.900 -0.032 0.000 1.125 223 Y CA 0.621 58.703 58.100 -0.030 0.000 1.283 223 Y CB 0.425 38.869 38.460 -0.027 0.000 1.042 223 Y HN 0.782 nan 8.280 nan 0.000 0.547 224 G N -0.569 108.274 108.800 0.072 0.000 2.344 224 G HA2 0.340 4.299 3.960 -0.002 0.000 0.282 224 G HA3 0.340 4.299 3.960 -0.002 0.000 0.282 224 G C -1.752 173.132 174.900 -0.026 0.000 1.281 224 G CA -1.128 43.981 45.100 0.016 0.000 0.877 224 G HN -0.088 nan 8.290 nan 0.000 0.494 225 K N -0.159 120.209 120.400 -0.054 0.000 2.443 225 K HA 0.649 4.968 4.320 -0.002 0.000 0.251 225 K C -0.101 176.434 176.600 -0.109 0.000 0.972 225 K CA -0.521 55.715 56.287 -0.085 0.000 0.833 225 K CB 2.108 34.561 32.500 -0.079 0.000 1.317 225 K HN 0.860 nan 8.250 nan 0.000 0.441 226 T N -0.528 113.943 114.554 -0.139 0.000 2.928 226 T HA 0.141 4.489 4.350 -0.002 0.000 0.305 226 T C 0.452 175.064 174.700 -0.146 0.000 1.035 226 T CA -0.605 61.415 62.100 -0.135 0.000 1.145 226 T CB 0.275 69.053 68.868 -0.151 0.000 0.963 226 T HN 0.379 nan 8.240 nan 0.000 0.545 227 I N 3.469 123.908 120.570 -0.218 0.000 2.648 227 I HA 0.094 4.262 4.170 -0.002 0.000 0.284 227 I C 1.403 177.277 176.117 -0.404 0.000 1.153 227 I CA -0.530 60.537 61.300 -0.388 0.000 1.426 227 I CB 0.539 38.156 38.000 -0.638 0.000 1.381 227 I HN 0.886 nan 8.210 nan 0.000 0.571 228 D N 6.240 126.450 120.400 -0.316 0.000 2.133 228 D HA -0.329 4.310 4.640 -0.002 0.000 0.195 228 D C 1.535 177.732 176.300 -0.171 0.000 0.997 228 D CA 2.345 56.249 54.000 -0.160 0.000 0.840 228 D CB -1.024 39.740 40.800 -0.060 0.000 0.947 228 D HN 0.757 nan 8.370 nan 0.000 0.452 229 Y N -1.114 119.084 120.300 -0.170 0.000 2.574 229 Y HA 0.154 4.702 4.550 -0.002 0.000 0.294 229 Y C 1.349 177.087 175.900 -0.269 0.000 1.142 229 Y CA 0.702 58.664 58.100 -0.230 0.000 1.314 229 Y CB -1.012 37.297 38.460 -0.252 0.000 0.991 229 Y HN 0.144 nan 8.280 nan 0.000 0.555 230 H N -1.813 117.161 119.070 -0.159 0.000 2.586 230 H HA 0.210 4.764 4.556 -0.003 0.000 0.273 230 H C -0.464 174.724 175.328 -0.234 0.000 0.997 230 H CA -0.193 55.782 56.048 -0.122 0.000 1.177 230 H CB 0.315 30.102 29.762 0.043 0.000 1.471 230 H HN 0.323 nan 8.280 nan 0.000 0.538 231 F N 0.378 120.076 119.950 -0.419 0.000 2.556 231 F HA 0.119 4.645 4.527 -0.002 0.000 0.384 231 F C -0.831 174.718 175.800 -0.420 0.000 1.493 231 F CA -0.824 56.851 58.000 -0.542 0.000 1.119 231 F CB -0.083 38.827 39.000 -0.150 0.000 1.280 231 F HN 0.033 nan 8.300 nan 0.000 0.525 232 Y N -0.864 119.372 120.300 -0.106 0.000 3.929 232 Y HA -0.186 4.363 4.550 -0.002 0.000 0.225 232 Y C 1.493 177.372 175.900 -0.036 0.000 1.200 232 Y CA 0.469 58.497 58.100 -0.120 0.000 1.791 232 Y CB -1.824 36.479 38.460 -0.262 0.000 1.561 232 Y HN 0.554 nan 8.280 nan 0.000 0.657 233 G N -1.872 106.945 108.800 0.028 0.000 2.176 233 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.253 233 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.253 233 G C 0.039 174.979 174.900 0.065 0.000 0.979 233 G CA 0.224 45.350 45.100 0.044 0.000 0.641 233 G HN 0.419 nan 8.290 nan 0.000 0.530 234 Q N 0.180 120.055 119.800 0.125 0.000 2.257 234 Q HA 0.553 4.892 4.340 -0.002 0.000 0.262 234 Q C -0.237 175.838 176.000 0.126 0.000 0.997 234 Q CA -0.348 55.551 55.803 0.160 0.000 0.873 234 Q CB 1.373 30.286 28.738 0.291 0.000 1.312 234 Q HN 0.589 nan 8.270 nan 0.000 0.450 235 E N 1.178 121.409 120.200 0.053 0.000 2.376 235 E HA 0.337 4.685 4.350 -0.002 0.000 0.236 235 E C -0.864 175.710 176.600 -0.044 0.000 0.962 235 E CA -0.264 56.127 56.400 -0.016 0.000 0.768 235 E CB 1.332 31.012 29.700 -0.032 0.000 1.236 235 E HN 0.158 nan 8.360 nan 0.000 0.431 236 V N 3.643 123.492 119.914 -0.108 0.000 2.539 236 V HA 0.287 4.405 4.120 -0.002 0.000 0.292 236 V C -2.158 173.827 176.094 -0.181 0.000 1.045 236 V CA -2.344 59.853 62.300 -0.172 0.000 0.945 236 V CB 1.325 32.932 31.823 -0.361 0.000 0.993 236 V HN 0.451 nan 8.190 nan 0.000 0.464 237 P HA 0.272 nan 4.420 nan 0.000 0.271 237 P C -0.665 176.562 177.300 -0.122 0.000 1.216 237 P CA 0.071 63.100 63.100 -0.118 0.000 0.771 237 P CB 0.362 31.999 31.700 -0.106 0.000 0.864 238 I N 2.442 122.971 120.570 -0.069 0.000 2.306 238 I HA 0.392 4.561 4.170 -0.002 0.000 0.288 238 I C 0.882 177.031 176.117 0.053 0.000 1.036 238 I CA -0.127 61.175 61.300 0.003 0.000 1.221 238 I CB 1.007 39.033 38.000 0.043 0.000 1.385 238 I HN 0.356 nan 8.210 nan 0.000 0.472 239 A N 4.844 127.664 122.820 0.001 0.000 2.585 239 A HA 0.664 4.983 4.320 -0.002 0.000 0.266 239 A C 0.606 178.142 177.584 -0.079 0.000 1.178 239 A CA -0.126 51.822 52.037 -0.148 0.000 0.966 239 A CB 0.457 19.367 19.000 -0.149 0.000 1.170 239 A HN 0.695 nan 8.150 nan 0.000 0.558 240 G N -0.624 108.277 108.800 0.168 0.000 2.731 240 G HA2 0.539 4.498 3.960 -0.002 0.000 0.298 240 G HA3 0.539 4.498 3.960 -0.002 0.000 0.298 240 G C -1.734 173.314 174.900 0.247 0.000 1.424 240 G CA -0.365 44.849 45.100 0.190 0.000 1.029 240 G HN 0.427 nan 8.290 nan 0.000 0.518 241 V N 0.574 120.607 119.914 0.198 0.000 2.711 241 V HA 0.856 4.975 4.120 -0.002 0.000 0.304 241 V C -0.186 175.920 176.094 0.020 0.000 1.097 241 V CA -0.221 62.103 62.300 0.041 0.000 0.906 241 V CB 1.413 33.142 31.823 -0.157 0.000 1.015 241 V HN 1.574 nan 8.190 nan 0.000 0.427 242 A N 3.167 125.996 122.820 0.014 0.000 2.574 242 A HA 0.883 5.202 4.320 -0.002 0.000 0.297 242 A C 0.025 177.624 177.584 0.026 0.000 1.062 242 A CA -0.076 51.974 52.037 0.023 0.000 0.686 242 A CB 1.630 20.645 19.000 0.026 0.000 1.285 242 A HN 1.365 nan 8.150 nan 0.000 0.403 243 G N 0.610 109.422 108.800 0.021 0.000 2.484 243 G HA2 0.328 4.286 3.960 -0.002 0.000 0.235 243 G HA3 0.328 4.286 3.960 -0.002 0.000 0.235 243 G C 0.558 175.466 174.900 0.014 0.000 1.282 243 G CA 0.586 45.688 45.100 0.003 0.000 0.857 243 G HN 0.930 nan 8.290 nan 0.000 0.571 244 D N 0.799 121.196 120.400 -0.005 0.000 2.123 244 D HA -0.183 4.455 4.640 -0.002 0.000 0.196 244 D C 1.881 178.192 176.300 0.019 0.000 0.992 244 D CA 1.299 55.312 54.000 0.021 0.000 0.833 244 D CB -0.189 40.629 40.800 0.029 0.000 0.954 244 D HN 0.352 nan 8.370 nan 0.000 0.455 245 Q N 0.028 119.792 119.800 -0.059 0.000 2.119 245 Q HA -0.081 4.257 4.340 -0.002 0.000 0.201 245 Q C 2.301 178.338 176.000 0.061 0.000 0.972 245 Q CA 1.237 57.024 55.803 -0.027 0.000 0.847 245 Q CB -0.409 28.238 28.738 -0.153 0.000 0.903 245 Q HN 0.475 nan 8.270 nan 0.000 0.433 246 Q N 0.432 120.274 119.800 0.069 0.000 2.123 246 Q HA 0.020 4.358 4.340 -0.002 0.000 0.199 246 Q C 2.042 178.160 176.000 0.197 0.000 0.966 246 Q CA 1.482 57.376 55.803 0.151 0.000 0.845 246 Q CB -0.417 28.410 28.738 0.148 0.000 0.907 246 Q HN 0.412 nan 8.270 nan 0.000 0.439 247 A N 0.785 123.688 122.820 0.138 0.000 1.908 247 A HA -0.185 4.134 4.320 -0.002 0.000 0.218 247 A C 2.254 179.946 177.584 0.181 0.000 1.181 247 A CA 1.836 53.957 52.037 0.141 0.000 0.627 247 A CB -1.016 18.045 19.000 0.102 0.000 0.818 247 A HN 0.395 nan 8.150 nan 0.000 0.445 248 A N -0.722 122.188 122.820 0.151 0.000 1.930 248 A HA 0.023 4.341 4.320 -0.002 0.000 0.217 248 A C 2.107 179.773 177.584 0.137 0.000 1.175 248 A CA 1.619 53.744 52.037 0.146 0.000 0.627 248 A CB -0.600 18.482 19.000 0.136 0.000 0.815 248 A HN 0.643 nan 8.150 nan 0.000 0.443 249 L N -1.379 119.935 121.223 0.151 0.000 1.990 249 L HA -0.158 4.180 4.340 -0.002 0.000 0.213 249 L C 2.223 179.159 176.870 0.109 0.000 1.072 249 L CA 2.428 57.348 54.840 0.133 0.000 0.755 249 L CB -0.803 41.373 42.059 0.195 0.000 0.889 249 L HN 0.439 nan 8.230 nan 0.000 0.432 250 F N 0.014 119.996 119.950 0.053 0.000 2.171 250 F HA -0.077 4.449 4.527 -0.002 0.000 0.300 250 F C 2.133 177.885 175.800 -0.080 0.000 1.090 250 F CA 1.555 59.553 58.000 -0.003 0.000 1.293 250 F CB -0.555 38.413 39.000 -0.054 0.000 1.013 250 F HN 0.169 nan 8.300 nan 0.000 0.486 251 G N -1.060 107.838 108.800 0.163 0.000 2.534 251 G HA2 -0.149 3.809 3.960 -0.002 0.000 0.217 251 G HA3 -0.149 3.809 3.960 -0.002 0.000 0.217 251 G C 1.268 176.154 174.900 -0.022 0.000 1.128 251 G CA 0.173 45.311 45.100 0.065 0.000 0.784 251 G HN 0.303 nan 8.290 nan 0.000 0.542 252 Q N -0.311 119.445 119.800 -0.074 0.000 2.280 252 Q HA 0.374 4.713 4.340 -0.002 0.000 0.202 252 Q C 1.561 177.272 176.000 -0.481 0.000 0.903 252 Q CA 0.375 56.108 55.803 -0.118 0.000 0.948 252 Q CB 0.331 29.039 28.738 -0.050 0.000 1.058 252 Q HN 0.502 nan 8.270 nan 0.000 0.493 253 A N -0.246 122.132 122.820 -0.737 0.000 2.816 253 A HA -0.226 4.092 4.320 -0.002 0.000 0.270 253 A C 0.639 177.412 177.584 -1.351 0.000 1.413 253 A CA 0.776 51.979 52.037 -1.391 0.000 0.866 253 A CB -2.491 15.968 19.000 -0.900 0.000 1.032 253 A HN 0.475 nan 8.150 nan 0.000 0.642 254 C N 0.484 119.288 119.300 -0.826 0.000 2.896 254 C HA 0.407 4.866 4.460 -0.002 0.000 0.499 254 C C 1.451 176.276 174.990 -0.275 0.000 1.022 254 C CA 0.498 59.250 59.018 -0.443 0.000 1.127 254 C CB -2.500 25.118 27.740 -0.203 0.000 1.452 254 C HN 0.524 nan 8.230 nan 0.000 0.580 255 F N -0.153 119.730 119.950 -0.111 0.000 2.698 255 F HA 0.120 4.645 4.527 -0.002 0.000 0.295 255 F C 1.452 177.277 175.800 0.041 0.000 1.124 255 F CA 0.174 58.161 58.000 -0.021 0.000 1.426 255 F CB 0.284 39.205 39.000 -0.131 0.000 1.120 255 F HN 0.356 nan 8.300 nan 0.000 0.583 256 E N 0.750 121.034 120.200 0.140 0.000 2.249 256 E HA 0.256 4.605 4.350 -0.002 0.000 0.263 256 E C -0.515 176.112 176.600 0.045 0.000 0.950 256 E CA -1.072 55.380 56.400 0.086 0.000 0.827 256 E CB 1.235 30.963 29.700 0.046 0.000 1.220 256 E HN 0.014 nan 8.360 nan 0.000 0.411 257 R N -0.107 120.415 120.500 0.038 0.000 2.504 257 R HA 0.110 4.449 4.340 -0.002 0.000 0.291 257 R C 0.955 177.260 176.300 0.008 0.000 0.974 257 R CA 1.646 57.761 56.100 0.024 0.000 1.077 257 R CB -0.356 29.957 30.300 0.021 0.000 0.926 257 R HN 0.805 nan 8.270 nan 0.000 0.407 258 G N 2.978 111.782 108.800 0.006 0.000 2.234 258 G HA2 -0.255 3.703 3.960 -0.002 0.000 0.235 258 G HA3 -0.255 3.703 3.960 -0.002 0.000 0.235 258 G C -0.467 174.421 174.900 -0.019 0.000 0.997 258 G CA 0.147 45.244 45.100 -0.005 0.000 0.623 258 G HN 0.665 nan 8.290 nan 0.000 0.514 259 D N 0.667 121.049 120.400 -0.029 0.000 2.351 259 D HA 0.524 5.163 4.640 -0.002 0.000 0.251 259 D C 0.364 176.639 176.300 -0.043 0.000 1.137 259 D CA 0.289 54.252 54.000 -0.062 0.000 0.879 259 D CB 1.792 42.527 40.800 -0.109 0.000 1.181 259 D HN 0.335 nan 8.370 nan 0.000 0.448 260 V N 2.125 122.009 119.914 -0.050 0.000 2.962 260 V HA 0.685 4.803 4.120 -0.002 0.000 0.313 260 V C -0.336 175.743 176.094 -0.025 0.000 1.099 260 V CA -0.989 61.298 62.300 -0.022 0.000 0.971 260 V CB 2.033 33.849 31.823 -0.010 0.000 1.028 260 V HN 0.591 nan 8.190 nan 0.000 0.430 261 K N 1.269 121.672 120.400 0.005 0.000 2.512 261 K HA 0.696 5.015 4.320 -0.002 0.000 0.263 261 K C -1.237 175.381 176.600 0.029 0.000 0.966 261 K CA -0.799 55.503 56.287 0.025 0.000 0.851 261 K CB 1.626 34.149 32.500 0.038 0.000 1.395 261 K HN 0.500 nan 8.250 nan 0.000 0.440 262 N N -0.334 118.380 118.700 0.024 0.000 2.354 262 N HA 0.469 5.207 4.740 -0.002 0.000 0.287 262 N C -1.582 173.901 175.510 -0.046 0.000 1.016 262 N CA -0.386 52.624 53.050 -0.067 0.000 0.871 262 N CB 2.085 40.451 38.487 -0.201 0.000 1.299 262 N HN 0.660 nan 8.380 nan 0.000 0.482 263 T N 3.179 117.711 114.554 -0.038 0.000 2.771 263 T HA 0.306 4.654 4.350 -0.002 0.000 0.281 263 T C -1.028 173.658 174.700 -0.024 0.000 0.982 263 T CA -0.066 62.080 62.100 0.076 0.000 0.978 263 T CB 0.183 69.161 68.868 0.183 0.000 0.930 263 T HN 0.303 nan 8.240 nan 0.000 0.447 264 Y N 2.133 122.509 120.300 0.126 0.000 2.491 264 Y HA 0.593 5.141 4.550 -0.002 0.000 0.334 264 Y C 0.872 176.859 175.900 0.146 0.000 0.969 264 Y CA -0.488 57.674 58.100 0.103 0.000 1.241 264 Y CB 1.052 39.545 38.460 0.056 0.000 1.105 264 Y HN 0.878 nan 8.280 nan 0.000 0.503 265 G N 0.330 109.312 108.800 0.304 0.000 3.259 265 G HA2 0.146 4.104 3.960 -0.002 0.000 0.178 265 G HA3 0.146 4.104 3.960 -0.002 0.000 0.178 265 G C 0.747 175.836 174.900 0.315 0.000 1.129 265 G CA -0.267 45.012 45.100 0.299 0.000 0.816 265 G HN 0.300 nan 8.290 nan 0.000 0.634 266 T N 0.452 115.225 114.554 0.366 0.000 2.624 266 T HA 0.014 4.363 4.350 -0.002 0.000 0.268 266 T C 1.327 176.290 174.700 0.439 0.000 1.041 266 T CA 1.845 64.189 62.100 0.407 0.000 1.159 266 T CB -0.606 68.567 68.868 0.507 0.000 0.863 266 T HN 0.725 nan 8.240 nan 0.000 0.434 267 G N -0.781 108.349 108.800 0.549 0.000 2.705 267 G HA2 0.591 4.549 3.960 -0.002 0.000 0.299 267 G HA3 0.591 4.549 3.960 -0.002 0.000 0.299 267 G C -0.527 174.308 174.900 -0.107 0.000 1.315 267 G CA -0.320 44.940 45.100 0.268 0.000 1.045 267 G HN 0.481 nan 8.290 nan 0.000 0.517 268 G N -1.164 107.252 108.800 -0.639 0.000 2.544 268 G HA2 0.652 4.610 3.960 -0.002 0.000 0.313 268 G HA3 0.652 4.610 3.960 -0.002 0.000 0.313 268 G C -1.381 172.978 174.900 -0.902 0.000 1.316 268 G CA -0.414 44.360 45.100 -0.542 0.000 0.944 268 G HN 0.326 nan 8.290 nan 0.000 0.489 274 T N -0.042 114.540 114.554 0.048 0.000 3.228 274 T HA 0.486 4.834 4.350 -0.002 0.000 0.278 274 T C 1.034 175.769 174.700 0.057 0.000 1.014 274 T CA 0.586 62.714 62.100 0.048 0.000 0.904 274 T CB -0.162 68.735 68.868 0.048 0.000 1.110 274 T HN 0.970 nan 8.240 nan 0.000 0.541 275 G N 3.278 112.108 108.800 0.049 0.000 2.582 275 G HA2 -0.394 3.564 3.960 -0.002 0.000 0.288 275 G HA3 -0.394 3.564 3.960 -0.002 0.000 0.288 275 G C 0.560 175.512 174.900 0.087 0.000 1.247 275 G CA 0.479 45.608 45.100 0.049 0.000 0.972 275 G HN 0.630 nan 8.290 nan 0.000 0.557 276 D N 0.989 121.439 120.400 0.083 0.000 2.378 276 D HA 0.067 4.706 4.640 -0.002 0.000 0.222 276 D C 0.873 177.282 176.300 0.181 0.000 0.980 276 D CA 1.287 55.359 54.000 0.120 0.000 0.907 276 D CB 0.017 40.855 40.800 0.063 0.000 0.899 276 D HN 0.620 nan 8.370 nan 0.000 0.527 277 K N -0.150 120.311 120.400 0.103 0.000 2.371 277 K HA 0.653 4.972 4.320 -0.002 0.000 0.251 277 K C -0.875 175.578 176.600 -0.244 0.000 0.934 277 K CA -0.888 55.349 56.287 -0.083 0.000 0.798 277 K CB 2.537 35.001 32.500 -0.061 0.000 1.204 277 K HN 0.020 nan 8.250 nan 0.000 0.427 278 A N 2.162 124.616 122.820 -0.610 0.000 2.409 278 A HA 0.359 4.677 4.320 -0.002 0.000 0.262 278 A C -0.277 177.192 177.584 -0.192 0.000 1.113 278 A CA -0.362 51.350 52.037 -0.542 0.000 0.790 278 A CB 0.247 18.875 19.000 -0.621 0.000 1.046 278 A HN 0.418 nan 8.150 nan 0.000 0.496 279 V N 3.589 123.448 119.914 -0.091 0.000 2.435 279 V HA 0.312 4.430 4.120 -0.002 0.000 0.290 279 V C 0.442 176.526 176.094 -0.017 0.000 1.030 279 V CA -0.733 61.542 62.300 -0.041 0.000 0.881 279 V CB 1.523 33.339 31.823 -0.012 0.000 0.983 279 V HN 0.959 nan 8.190 nan 0.000 0.445 280 K N 2.442 122.832 120.400 -0.016 0.000 2.174 280 K HA 0.459 4.777 4.320 -0.002 0.000 0.275 280 K C -0.105 176.500 176.600 0.008 0.000 1.015 280 K CA -0.104 56.181 56.287 -0.003 0.000 0.933 280 K CB 1.145 33.635 32.500 -0.017 0.000 1.025 280 K HN 0.721 nan 8.250 nan 0.000 0.463 281 S N 2.633 118.345 115.700 0.019 0.000 2.475 281 S HA 0.222 4.691 4.470 -0.002 0.000 0.298 281 S C -0.251 174.366 174.600 0.028 0.000 1.119 281 S CA -0.592 57.627 58.200 0.032 0.000 1.085 281 S CB 1.008 64.242 63.200 0.057 0.000 1.028 281 S HN 0.683 nan 8.310 nan 0.000 0.489 282 E N 2.791 123.009 120.200 0.029 0.000 2.693 282 E HA 0.236 4.585 4.350 -0.002 0.000 0.214 282 E C -0.065 176.558 176.600 0.038 0.000 0.990 282 E CA 0.042 56.459 56.400 0.028 0.000 1.047 282 E CB 0.817 30.527 29.700 0.017 0.000 1.039 282 E HN 0.512 nan 8.360 nan 0.000 0.475 283 S N -0.633 115.099 115.700 0.052 0.000 2.701 283 S HA 0.302 4.770 4.470 -0.002 0.000 0.242 283 S C 1.134 175.789 174.600 0.092 0.000 1.025 283 S CA 0.234 58.466 58.200 0.053 0.000 1.016 283 S CB 1.339 64.563 63.200 0.040 0.000 0.977 283 S HN 0.385 nan 8.310 nan 0.000 0.546 284 G N 1.761 110.647 108.800 0.144 0.000 2.131 284 G HA2 -0.180 3.778 3.960 -0.002 0.000 0.223 284 G HA3 -0.180 3.778 3.960 -0.002 0.000 0.223 284 G C -0.132 175.005 174.900 0.396 0.000 0.990 284 G CA -0.367 44.915 45.100 0.304 0.000 0.671 284 G HN 0.418 nan 8.290 nan 0.000 0.521 285 L N 0.270 121.633 121.223 0.233 0.000 2.360 285 L HA 0.631 4.970 4.340 -0.002 0.000 0.271 285 L C 1.095 178.083 176.870 0.196 0.000 1.057 285 L CA -0.964 54.021 54.840 0.242 0.000 0.803 285 L CB 1.195 43.349 42.059 0.158 0.000 1.207 285 L HN 0.021 nan 8.230 nan 0.000 0.445 286 L N 0.858 122.220 121.223 0.233 0.000 2.375 286 L HA 0.337 4.676 4.340 -0.002 0.000 0.271 286 L C 0.136 177.067 176.870 0.103 0.000 1.107 286 L CA -0.377 54.552 54.840 0.147 0.000 0.806 286 L CB 1.185 43.381 42.059 0.228 0.000 1.146 286 L HN 0.548 nan 8.230 nan 0.000 0.447 287 T N 0.983 115.565 114.554 0.047 0.000 2.744 287 T HA 0.409 4.757 4.350 -0.002 0.000 0.291 287 T C 0.008 174.736 174.700 0.047 0.000 0.957 287 T CA -0.175 61.951 62.100 0.043 0.000 1.002 287 T CB 1.300 70.176 68.868 0.013 0.000 0.919 287 T HN 0.661 nan 8.240 nan 0.000 0.468 288 T N 2.371 116.983 114.554 0.096 0.000 2.812 288 T HA 0.640 4.989 4.350 -0.002 0.000 0.294 288 T C -1.053 173.723 174.700 0.127 0.000 1.159 288 T CA -0.696 61.461 62.100 0.094 0.000 1.008 288 T CB 0.871 69.787 68.868 0.080 0.000 1.289 288 T HN 0.444 nan 8.240 nan 0.000 0.514 289 I N 2.614 123.205 120.570 0.034 0.000 2.331 289 I HA 0.411 4.579 4.170 -0.002 0.000 0.292 289 I C 1.342 177.397 176.117 -0.102 0.000 0.998 289 I CA -0.633 60.589 61.300 -0.131 0.000 1.267 289 I CB 1.650 39.559 38.000 -0.152 0.000 1.386 289 I HN 0.843 nan 8.210 nan 0.000 0.476 290 A N 7.150 129.845 122.820 -0.208 0.000 1.840 290 A HA 0.052 4.371 4.320 -0.002 0.000 0.214 290 A C 0.300 177.891 177.584 0.012 0.000 1.198 290 A CA 1.440 53.388 52.037 -0.149 0.000 0.608 290 A CB -0.020 18.713 19.000 -0.446 0.000 0.839 290 A HN 0.787 nan 8.150 nan 0.000 0.443 291 Y N -5.163 115.147 120.300 0.018 0.000 2.810 291 Y HA 0.541 5.090 4.550 -0.002 0.000 0.355 291 Y C -0.341 175.588 175.900 0.049 0.000 1.211 291 Y CA -1.182 56.951 58.100 0.055 0.000 1.112 291 Y CB 0.307 38.822 38.460 0.091 0.000 1.383 291 Y HN 0.282 nan 8.280 nan 0.000 0.458 292 G N 1.093 110.125 108.800 0.386 0.000 2.574 292 G HA2 0.652 4.611 3.960 -0.002 0.000 0.306 292 G HA3 0.652 4.611 3.960 -0.002 0.000 0.306 292 G C -2.107 172.970 174.900 0.296 0.000 1.334 292 G CA -0.791 44.517 45.100 0.346 0.000 0.954 292 G HN 0.868 nan 8.290 nan 0.000 0.500 293 I N 1.846 122.577 120.570 0.267 0.000 2.752 293 I HA 0.437 4.605 4.170 -0.002 0.000 0.295 293 I C -0.236 175.959 176.117 0.129 0.000 1.219 293 I CA -0.055 61.345 61.300 0.167 0.000 1.030 293 I CB 1.823 39.915 38.000 0.154 0.000 1.259 293 I HN 0.693 nan 8.210 nan 0.000 0.423 294 D N 3.523 123.972 120.400 0.082 0.000 3.639 294 D HA -0.242 4.397 4.640 -0.002 0.000 0.162 294 D C 1.049 177.386 176.300 0.061 0.000 1.054 294 D CA 1.579 55.614 54.000 0.059 0.000 1.085 294 D CB -1.093 39.737 40.800 0.049 0.000 0.547 294 D HN 0.869 nan 8.370 nan 0.000 0.595 295 G N 0.798 109.628 108.800 0.050 0.000 2.744 295 G HA2 0.048 4.007 3.960 -0.002 0.000 0.211 295 G HA3 0.048 4.007 3.960 -0.002 0.000 0.211 295 G C 0.606 175.529 174.900 0.038 0.000 1.143 295 G CA 1.233 46.358 45.100 0.043 0.000 0.788 295 G HN 0.512 nan 8.290 nan 0.000 0.534 296 K N -0.507 119.920 120.400 0.045 0.000 2.395 296 K HA 0.675 4.993 4.320 -0.002 0.000 0.245 296 K C -1.780 174.794 176.600 -0.044 0.000 1.017 296 K CA -0.869 55.420 56.287 0.003 0.000 0.852 296 K CB 2.131 34.641 32.500 0.016 0.000 1.311 296 K HN -0.162 nan 8.250 nan 0.000 0.452 297 V N 1.556 121.367 119.914 -0.171 0.000 2.407 297 V HA 0.304 4.423 4.120 -0.002 0.000 0.291 297 V C -0.356 175.489 176.094 -0.415 0.000 1.018 297 V CA -0.906 61.169 62.300 -0.376 0.000 0.842 297 V CB 1.240 32.694 31.823 -0.614 0.000 0.996 297 V HN 0.712 nan 8.190 nan 0.000 0.426 298 N N 2.833 121.228 118.700 -0.509 0.000 2.492 298 N HA 0.576 5.315 4.740 -0.002 0.000 0.289 298 N C -1.462 173.699 175.510 -0.581 0.000 1.133 298 N CA -0.431 52.337 53.050 -0.471 0.000 0.961 298 N CB 1.991 40.074 38.487 -0.674 0.000 1.186 298 N HN 0.499 nan 8.380 nan 0.000 0.493 299 Y N 0.052 120.235 120.300 -0.196 0.000 2.602 299 Y HA 0.646 5.194 4.550 -0.002 0.000 0.330 299 Y C 0.173 176.016 175.900 -0.096 0.000 1.114 299 Y CA -0.674 57.346 58.100 -0.135 0.000 1.182 299 Y CB 1.743 40.147 38.460 -0.093 0.000 1.305 299 Y HN 0.483 nan 8.280 nan 0.000 0.502 300 A N 1.130 124.027 122.820 0.128 0.000 2.556 300 A HA 0.793 5.111 4.320 -0.002 0.000 0.294 300 A C -1.963 175.682 177.584 0.101 0.000 1.091 300 A CA -0.769 51.322 52.037 0.090 0.000 0.704 300 A CB 1.248 20.290 19.000 0.071 0.000 1.300 300 A HN 0.689 nan 8.150 nan 0.000 0.406 301 L N 0.919 122.195 121.223 0.088 0.000 2.309 301 L HA 0.634 4.973 4.340 -0.002 0.000 0.282 301 L C 0.100 177.042 176.870 0.119 0.000 1.036 301 L CA -0.238 54.660 54.840 0.096 0.000 0.806 301 L CB 1.705 43.809 42.059 0.075 0.000 1.220 301 L HN 0.882 nan 8.230 nan 0.000 0.429 302 E N 1.482 121.778 120.200 0.160 0.000 2.272 302 E HA 0.520 4.868 4.350 -0.002 0.000 0.269 302 E C -0.874 175.877 176.600 0.253 0.000 0.877 302 E CA -0.734 55.791 56.400 0.208 0.000 0.755 302 E CB 2.130 31.981 29.700 0.252 0.000 1.192 302 E HN 0.678 nan 8.360 nan 0.000 0.422 303 G N 2.008 110.937 108.800 0.214 0.000 2.347 303 G HA2 0.387 4.346 3.960 -0.002 0.000 0.314 303 G HA3 0.387 4.346 3.960 -0.002 0.000 0.314 303 G C -0.784 174.221 174.900 0.175 0.000 1.126 303 G CA -0.413 44.792 45.100 0.175 0.000 0.929 303 G HN 0.325 nan 8.290 nan 0.000 0.441 304 S N 1.740 117.560 115.700 0.200 0.000 2.433 304 S HA 0.503 4.972 4.470 -0.002 0.000 0.310 304 S C -0.206 174.186 174.600 -0.347 0.000 1.097 304 S CA -0.352 57.931 58.200 0.139 0.000 1.103 304 S CB 1.111 64.696 63.200 0.641 0.000 0.992 304 S HN 0.498 nan 8.310 nan 0.000 0.469 305 I N 3.942 124.175 120.570 -0.562 0.000 2.411 305 I HA 0.270 4.438 4.170 -0.002 0.000 0.284 305 I C 0.026 175.954 176.117 -0.314 0.000 1.012 305 I CA -0.554 60.448 61.300 -0.496 0.000 1.119 305 I CB 1.032 38.812 38.000 -0.368 0.000 1.261 305 I HN 0.541 nan 8.210 nan 0.000 0.448 306 F N 5.140 124.989 119.950 -0.169 0.000 2.171 306 F HA -0.031 4.494 4.527 -0.002 0.000 0.300 306 F C 1.134 177.005 175.800 0.117 0.000 1.090 306 F CA 0.587 58.633 58.000 0.077 0.000 1.293 306 F CB -0.377 38.616 39.000 -0.012 0.000 1.013 306 F HN 0.089 nan 8.300 nan 0.000 0.486 307 V N -0.187 119.810 119.914 0.139 0.000 2.357 307 V HA 0.339 4.458 4.120 -0.002 0.000 0.281 307 V C 0.248 176.364 176.094 0.036 0.000 1.015 307 V CA -0.215 62.136 62.300 0.086 0.000 0.827 307 V CB 1.193 32.959 31.823 -0.095 0.000 1.018 307 V HN 0.156 nan 8.190 nan 0.000 0.432 308 S N 4.350 120.112 115.700 0.103 0.000 3.128 308 S HA 0.256 4.725 4.470 -0.002 0.000 0.171 308 S C 1.917 176.614 174.600 0.161 0.000 0.707 308 S CA 0.951 59.216 58.200 0.109 0.000 0.851 308 S CB 0.142 63.406 63.200 0.107 0.000 0.872 308 S HN 0.783 nan 8.310 nan 0.000 0.724 309 G N 0.921 109.844 108.800 0.204 0.000 2.448 309 G HA2 -0.127 3.831 3.960 -0.002 0.000 0.219 309 G HA3 -0.127 3.831 3.960 -0.002 0.000 0.219 309 G C 1.638 176.664 174.900 0.211 0.000 1.127 309 G CA 1.260 46.479 45.100 0.199 0.000 0.766 309 G HN 0.591 nan 8.290 nan 0.000 0.552 310 S N 0.618 116.460 115.700 0.236 0.000 2.419 310 S HA -0.012 4.457 4.470 -0.002 0.000 0.235 310 S C 2.638 177.434 174.600 0.326 0.000 1.019 310 S CA 1.604 59.964 58.200 0.267 0.000 0.982 310 S CB -0.330 63.035 63.200 0.275 0.000 0.789 310 S HN 0.551 nan 8.310 nan 0.000 0.490 311 A N 1.333 124.320 122.820 0.279 0.000 1.898 311 A HA 0.078 4.396 4.320 -0.002 0.000 0.216 311 A C 2.071 179.891 177.584 0.393 0.000 1.181 311 A CA 1.319 53.559 52.037 0.339 0.000 0.620 311 A CB -0.618 18.480 19.000 0.163 0.000 0.819 311 A HN 0.636 nan 8.150 nan 0.000 0.442 312 I N -0.533 120.195 120.570 0.264 0.000 2.315 312 I HA -0.219 3.950 4.170 -0.002 0.000 0.248 312 I C 2.439 178.674 176.117 0.197 0.000 1.117 312 I CA 0.903 62.329 61.300 0.210 0.000 1.404 312 I CB -0.401 37.688 38.000 0.148 0.000 1.071 312 I HN 0.327 nan 8.210 nan 0.000 0.419 313 Q N -0.261 119.669 119.800 0.216 0.000 2.224 313 Q HA -0.230 4.109 4.340 -0.002 0.000 0.203 313 Q C 1.860 177.986 176.000 0.209 0.000 0.970 313 Q CA 1.337 57.247 55.803 0.178 0.000 0.865 313 Q CB -0.422 28.420 28.738 0.173 0.000 0.922 313 Q HN 0.652 nan 8.270 nan 0.000 0.445 314 W N 1.447 122.807 121.300 0.099 0.000 2.374 314 W HA -0.105 4.554 4.660 -0.002 0.000 0.288 314 W C 1.560 178.112 176.519 0.056 0.000 1.218 314 W CA 0.967 58.350 57.345 0.064 0.000 1.245 314 W CB -0.245 29.283 29.460 0.113 0.000 1.126 314 W HN 0.039 nan 8.180 nan 0.000 0.545 315 L N 0.198 121.435 121.223 0.022 0.000 2.083 315 L HA -0.168 4.171 4.340 -0.002 0.000 0.209 315 L C 2.790 179.547 176.870 -0.188 0.000 1.083 315 L CA 1.627 56.365 54.840 -0.171 0.000 0.752 315 L CB -0.901 41.144 42.059 -0.023 0.000 0.899 315 L HN -0.000 nan 8.230 nan 0.000 0.433 316 R N 0.139 120.592 120.500 -0.078 0.000 2.052 316 R HA -0.116 4.222 4.340 -0.002 0.000 0.226 316 R C 1.822 178.070 176.300 -0.087 0.000 1.145 316 R CA 1.553 57.613 56.100 -0.066 0.000 0.952 316 R CB 0.001 30.298 30.300 -0.005 0.000 0.847 316 R HN 0.264 nan 8.270 nan 0.000 0.431 317 D N -1.056 119.314 120.400 -0.051 0.000 2.194 317 D HA -0.022 4.616 4.640 -0.002 0.000 0.204 317 D C 1.501 177.750 176.300 -0.084 0.000 0.964 317 D CA 1.355 55.334 54.000 -0.037 0.000 0.846 317 D CB 0.138 40.963 40.800 0.042 0.000 0.962 317 D HN 0.481 nan 8.370 nan 0.000 0.490 318 G N 0.411 109.089 108.800 -0.204 0.000 2.641 318 G HA2 0.012 3.970 3.960 -0.002 0.000 0.211 318 G HA3 0.012 3.970 3.960 -0.002 0.000 0.211 318 G C 1.570 176.226 174.900 -0.406 0.000 1.190 318 G CA -0.190 44.737 45.100 -0.288 0.000 0.842 318 G HN 0.141 nan 8.290 nan 0.000 0.585 319 L N 0.177 120.992 121.223 -0.681 0.000 2.478 319 L HA 0.228 4.567 4.340 -0.002 0.000 0.223 319 L C 1.034 177.688 176.870 -0.359 0.000 1.140 319 L CA -0.022 54.485 54.840 -0.554 0.000 0.842 319 L CB -0.332 41.282 42.059 -0.742 0.000 0.953 319 L HN 0.218 nan 8.230 nan 0.000 0.452 323 N N 1.528 120.239 118.700 0.019 0.000 2.457 323 N HA 0.114 4.852 4.740 -0.002 0.000 0.180 323 N C -0.234 175.287 175.510 0.017 0.000 1.050 323 N CA 0.745 53.802 53.050 0.012 0.000 0.906 323 N CB 0.352 38.851 38.487 0.020 0.000 0.968 323 N HN 0.703 nan 8.380 nan 0.000 0.445 324 S N -1.956 113.763 115.700 0.033 0.000 2.565 324 S HA 0.476 4.945 4.470 -0.002 0.000 0.269 324 S C 0.561 175.191 174.600 0.050 0.000 1.153 324 S CA -0.469 57.753 58.200 0.037 0.000 0.835 324 S CB 1.687 64.909 63.200 0.037 0.000 1.122 324 S HN 0.119 nan 8.310 nan 0.000 0.462 325 A N 1.523 124.375 122.820 0.054 0.000 1.877 325 A HA 0.081 4.399 4.320 -0.002 0.000 0.216 325 A C -0.826 176.798 177.584 0.066 0.000 1.186 325 A CA 1.738 53.814 52.037 0.066 0.000 0.620 325 A CB -1.905 17.139 19.000 0.073 0.000 0.822 325 A HN 0.612 nan 8.150 nan 0.000 0.443 326 P HA -0.173 nan 4.420 nan 0.000 0.219 326 P C 1.281 178.614 177.300 0.054 0.000 1.146 326 P CA 1.310 64.440 63.100 0.050 0.000 0.808 326 P CB -0.129 31.594 31.700 0.040 0.000 0.779 327 Q N -0.609 119.232 119.800 0.069 0.000 2.297 327 Q HA -0.088 4.251 4.340 -0.002 0.000 0.204 327 Q C 2.185 178.285 176.000 0.167 0.000 0.962 327 Q CA 1.532 57.390 55.803 0.092 0.000 0.879 327 Q CB -0.530 28.283 28.738 0.125 0.000 0.947 327 Q HN 0.374 nan 8.270 nan 0.000 0.462 328 S N 0.679 116.470 115.700 0.151 0.000 2.420 328 S HA -0.257 4.212 4.470 -0.002 0.000 0.237 328 S C 1.724 176.380 174.600 0.095 0.000 1.023 328 S CA 1.341 59.637 58.200 0.160 0.000 0.991 328 S CB -0.165 63.087 63.200 0.087 0.000 0.792 328 S HN 0.396 nan 8.310 nan 0.000 0.488 329 E N 1.092 121.319 120.200 0.045 0.000 2.031 329 E HA -0.157 4.192 4.350 -0.002 0.000 0.193 329 E C 2.190 178.732 176.600 -0.097 0.000 0.994 329 E CA 1.240 57.627 56.400 -0.022 0.000 0.800 329 E CB -0.431 29.283 29.700 0.024 0.000 0.752 329 E HN 0.587 nan 8.360 nan 0.000 0.447 330 S N -0.896 114.749 115.700 -0.092 0.000 2.359 330 S HA -0.220 4.248 4.470 -0.002 0.000 0.223 330 S C 1.821 176.281 174.600 -0.234 0.000 1.039 330 S CA 1.598 59.683 58.200 -0.191 0.000 1.042 330 S CB -0.460 62.572 63.200 -0.281 0.000 0.915 330 S HN 0.409 nan 8.310 nan 0.000 0.439 331 Y N 1.363 121.585 120.300 -0.131 0.000 2.128 331 Y HA -0.101 4.448 4.550 -0.003 0.000 0.284 331 Y C 2.791 178.555 175.900 -0.227 0.000 1.154 331 Y CA 1.163 59.175 58.100 -0.147 0.000 1.149 331 Y CB -0.735 37.661 38.460 -0.105 0.000 0.976 331 Y HN 0.374 nan 8.280 nan 0.000 0.505 332 A N -0.409 122.327 122.820 -0.141 0.000 1.972 332 A HA -0.183 4.136 4.320 -0.002 0.000 0.219 332 A C 2.194 179.437 177.584 -0.569 0.000 1.169 332 A CA 2.103 53.880 52.037 -0.434 0.000 0.635 332 A CB -1.179 17.404 19.000 -0.695 0.000 0.810 332 A HN 0.522 nan 8.150 nan 0.000 0.446 333 T N -3.834 110.464 114.554 -0.427 0.000 3.065 333 T HA 0.111 4.459 4.350 -0.002 0.000 0.252 333 T C 1.720 176.309 174.700 -0.184 0.000 1.099 333 T CA 0.485 62.404 62.100 -0.302 0.000 1.063 333 T CB -0.181 68.579 68.868 -0.181 0.000 0.948 333 T HN 0.432 nan 8.240 nan 0.000 0.506 334 R N 1.066 121.456 120.500 -0.183 0.000 2.193 334 R HA 0.078 4.417 4.340 -0.002 0.000 0.229 334 R C 0.797 177.016 176.300 -0.135 0.000 1.110 334 R CA 0.838 56.852 56.100 -0.143 0.000 0.988 334 R CB -0.253 29.960 30.300 -0.144 0.000 0.871 334 R HN 0.553 nan 8.270 nan 0.000 0.458 335 V N -2.387 117.419 119.914 -0.180 0.000 2.769 335 V HA 0.306 4.425 4.120 -0.002 0.000 0.312 335 V C -0.193 175.841 176.094 -0.100 0.000 1.058 335 V CA -0.857 61.343 62.300 -0.167 0.000 0.952 335 V CB 2.086 33.700 31.823 -0.349 0.000 1.019 335 V HN -0.135 nan 8.190 nan 0.000 0.445 336 D N 1.561 121.946 120.400 -0.025 0.000 2.340 336 D HA 0.274 4.913 4.640 -0.002 0.000 0.217 336 D C 0.637 176.975 176.300 0.063 0.000 1.081 336 D CA 1.161 55.178 54.000 0.027 0.000 0.842 336 D CB 0.489 41.316 40.800 0.045 0.000 0.934 336 D HN 0.982 nan 8.370 nan 0.000 0.511 337 S N -2.335 113.397 115.700 0.053 0.000 2.633 337 S HA 0.130 4.598 4.470 -0.002 0.000 0.271 337 S C 0.700 175.382 174.600 0.138 0.000 1.112 337 S CA -0.288 57.966 58.200 0.091 0.000 0.828 337 S CB 0.893 64.160 63.200 0.111 0.000 1.086 337 S HN -0.064 nan 8.310 nan 0.000 0.461 338 T N -1.403 113.209 114.554 0.096 0.000 3.085 338 T HA 0.170 4.518 4.350 -0.002 0.000 0.263 338 T C 0.208 174.977 174.700 0.115 0.000 1.127 338 T CA 1.017 63.189 62.100 0.120 0.000 1.103 338 T CB -0.804 68.037 68.868 -0.045 0.000 0.921 338 T HN 0.903 nan 8.240 nan 0.000 0.510 339 E N 0.719 120.969 120.200 0.085 0.000 2.297 339 E HA -0.222 4.127 4.350 -0.002 0.000 0.228 339 E C 1.040 177.630 176.600 -0.017 0.000 1.213 339 E CA 0.860 57.270 56.400 0.018 0.000 0.712 339 E CB -2.163 27.498 29.700 -0.065 0.000 1.202 339 E HN 1.060 nan 8.360 nan 0.000 0.376 340 G N -1.967 106.819 108.800 -0.023 0.000 2.176 340 G HA2 -0.338 3.620 3.960 -0.002 0.000 0.253 340 G HA3 -0.338 3.620 3.960 -0.002 0.000 0.253 340 G C 0.372 175.253 174.900 -0.031 0.000 0.979 340 G CA 0.107 45.205 45.100 -0.004 0.000 0.641 340 G HN 0.370 nan 8.290 nan 0.000 0.530 341 V N 0.615 120.467 119.914 -0.102 0.000 2.546 341 V HA 0.669 4.787 4.120 -0.002 0.000 0.284 341 V C 0.006 175.979 176.094 -0.201 0.000 1.050 341 V CA -0.413 61.860 62.300 -0.045 0.000 0.981 341 V CB 1.041 32.858 31.823 -0.009 0.000 0.990 341 V HN 0.241 nan 8.190 nan 0.000 0.474 342 Y N 2.177 122.558 120.300 0.135 0.000 2.462 342 Y HA 0.674 5.223 4.550 -0.002 0.000 0.346 342 Y C -0.180 175.808 175.900 0.146 0.000 0.976 342 Y CA -0.878 57.340 58.100 0.196 0.000 1.044 342 Y CB 2.342 40.923 38.460 0.203 0.000 1.230 342 Y HN 0.319 nan 8.280 nan 0.000 0.455 343 V N 3.736 123.847 119.914 0.328 0.000 2.444 343 V HA 0.420 4.539 4.120 -0.002 0.000 0.294 343 V C -0.959 175.317 176.094 0.304 0.000 1.022 343 V CA -0.893 61.500 62.300 0.155 0.000 0.850 343 V CB 1.738 33.553 31.823 -0.013 0.000 0.992 343 V HN 0.525 nan 8.190 nan 0.000 0.426 344 V N 7.739 127.731 119.914 0.131 0.000 2.293 344 V HA 0.331 4.449 4.120 -0.002 0.000 0.275 344 V C -1.826 174.175 176.094 -0.155 0.000 1.021 344 V CA -1.333 60.995 62.300 0.047 0.000 0.815 344 V CB 1.702 33.427 31.823 -0.164 0.000 1.025 344 V HN 0.780 nan 8.190 nan 0.000 0.448 345 P HA 0.203 nan 4.420 nan 0.000 0.220 345 P C 0.393 177.197 177.300 -0.825 0.000 1.778 345 P CA -0.130 62.491 63.100 -0.798 0.000 0.912 345 P CB 0.471 31.782 31.700 -0.648 0.000 1.861 346 A N 0.126 122.666 122.820 -0.466 0.000 2.958 346 A HA 0.166 4.485 4.320 -0.002 0.000 0.247 346 A C 1.097 178.593 177.584 -0.145 0.000 1.679 346 A CA -0.508 51.377 52.037 -0.253 0.000 1.345 346 A CB -1.820 17.086 19.000 -0.157 0.000 1.013 346 A HN 0.240 nan 8.150 nan 0.000 0.641 347 F N -0.145 119.732 119.950 -0.121 0.000 2.250 347 F HA -0.138 4.388 4.527 -0.002 0.000 0.301 347 F C 1.498 177.240 175.800 -0.097 0.000 1.077 347 F CA 1.150 59.046 58.000 -0.174 0.000 1.348 347 F CB 0.207 39.039 39.000 -0.279 0.000 1.040 347 F HN 0.350 nan 8.300 nan 0.000 0.509 348 V N -2.546 117.448 119.914 0.134 0.000 2.841 348 V HA 0.777 4.895 4.120 -0.002 0.000 0.363 348 V C 0.281 176.501 176.094 0.210 0.000 1.330 348 V CA -0.254 62.102 62.300 0.093 0.000 1.207 348 V CB -0.273 31.515 31.823 -0.058 0.000 1.318 348 V HN 0.394 nan 8.190 nan 0.000 0.603 349 G N 0.850 109.758 108.800 0.180 0.000 2.582 349 G HA2 -0.075 3.884 3.960 -0.002 0.000 0.222 349 G HA3 -0.075 3.884 3.960 -0.002 0.000 0.222 349 G C -1.049 173.881 174.900 0.050 0.000 1.311 349 G CA -0.396 44.803 45.100 0.165 0.000 0.915 349 G HN 0.593 nan 8.290 nan 0.000 0.528 350 L N 1.161 122.330 121.223 -0.091 0.000 2.341 350 L HA 0.687 5.026 4.340 -0.002 0.000 0.278 350 L C 1.347 177.790 176.870 -0.712 0.000 1.005 350 L CA -0.201 54.435 54.840 -0.341 0.000 0.818 350 L CB 1.510 43.444 42.059 -0.207 0.000 1.259 350 L HN 1.072 nan 8.230 nan 0.000 0.418 351 G N 1.285 109.315 108.800 -1.283 0.000 3.182 351 G HA2 0.170 4.129 3.960 -0.002 0.000 0.167 351 G HA3 0.170 4.129 3.960 -0.002 0.000 0.167 351 G C -0.193 173.700 174.900 -1.678 0.000 1.537 351 G CA -0.248 43.611 45.100 -2.068 0.000 1.046 351 G HN 0.434 nan 8.290 nan 0.000 0.580 352 T N 2.686 116.544 114.554 -1.159 0.000 2.871 352 T HA 0.268 4.617 4.350 -0.002 0.000 0.296 352 T C -1.360 173.112 174.700 -0.381 0.000 0.998 352 T CA -0.051 61.789 62.100 -0.433 0.000 1.162 352 T CB 1.557 70.414 68.868 -0.019 0.000 0.947 352 T HN 0.319 nan 8.240 nan 0.000 0.536 353 P HA 0.134 nan 4.420 nan 0.000 0.275 353 P C 0.494 177.632 177.300 -0.271 0.000 1.310 353 P CA 0.148 63.074 63.100 -0.290 0.000 0.904 353 P CB 0.252 31.763 31.700 -0.315 0.000 1.381 354 Y N -1.223 118.996 120.300 -0.135 0.000 2.242 354 Y HA -0.001 4.547 4.550 -0.002 0.000 0.291 354 Y C 0.681 176.622 175.900 0.069 0.000 1.137 354 Y CA 0.325 58.392 58.100 -0.056 0.000 1.181 354 Y CB -1.477 36.902 38.460 -0.135 0.000 0.989 354 Y HN -0.155 nan 8.280 nan 0.000 0.527 355 W N 1.604 122.996 121.300 0.153 0.000 6.880 355 W HA -0.240 4.419 4.660 -0.002 0.000 0.423 355 W C -0.392 176.217 176.519 0.151 0.000 1.695 355 W CA 0.567 58.000 57.345 0.146 0.000 1.126 355 W CB -1.029 28.527 29.460 0.159 0.000 2.925 355 W HN 0.085 nan 8.180 nan 0.000 1.530 356 D N 0.397 120.922 120.400 0.208 0.000 2.477 356 D HA 0.244 4.883 4.640 -0.002 0.000 0.239 356 D C 1.232 177.631 176.300 0.165 0.000 1.102 356 D CA 0.409 54.506 54.000 0.163 0.000 0.901 356 D CB 0.685 41.528 40.800 0.071 0.000 1.026 356 D HN 0.048 nan 8.370 nan 0.000 0.515 357 S N 2.563 118.396 115.700 0.221 0.000 2.507 357 S HA -0.076 4.392 4.470 -0.002 0.000 0.235 357 S C 1.023 175.711 174.600 0.146 0.000 0.988 357 S CA 0.519 58.851 58.200 0.219 0.000 0.944 357 S CB 0.098 63.436 63.200 0.230 0.000 0.762 357 S HN 0.409 nan 8.310 nan 0.000 0.526 358 E N 1.243 121.510 120.200 0.112 0.000 2.460 358 E HA 0.370 4.718 4.350 -0.002 0.000 0.200 358 E C 0.813 177.457 176.600 0.072 0.000 1.011 358 E CA 0.362 56.812 56.400 0.082 0.000 0.912 358 E CB 0.079 29.813 29.700 0.058 0.000 0.953 358 E HN 0.647 nan 8.360 nan 0.000 0.494 359 A N 2.317 125.176 122.820 0.064 0.000 2.498 359 A HA 0.242 4.561 4.320 -0.002 0.000 0.239 359 A C 0.439 178.065 177.584 0.071 0.000 1.068 359 A CA 0.105 52.172 52.037 0.050 0.000 0.766 359 A CB 0.421 19.410 19.000 -0.019 0.000 1.003 359 A HN -0.086 nan 8.150 nan 0.000 0.497 360 R N 0.721 121.281 120.500 0.100 0.000 2.939 360 R HA 0.573 4.912 4.340 -0.002 0.000 0.254 360 R C 0.530 176.847 176.300 0.028 0.000 1.123 360 R CA -0.207 55.949 56.100 0.095 0.000 1.020 360 R CB 0.926 31.316 30.300 0.150 0.000 1.206 360 R HN 0.885 nan 8.270 nan 0.000 0.491 361 G N -0.299 108.519 108.800 0.030 0.000 2.544 361 G HA2 0.462 4.421 3.960 -0.002 0.000 0.242 361 G HA3 0.462 4.421 3.960 -0.002 0.000 0.242 361 G C -0.809 174.025 174.900 -0.110 0.000 1.247 361 G CA 0.233 45.287 45.100 -0.077 0.000 0.840 361 G HN 0.594 nan 8.290 nan 0.000 0.578 362 A N 0.690 123.411 122.820 -0.164 0.000 2.612 362 A HA 0.757 5.075 4.320 -0.002 0.000 0.293 362 A C -1.029 176.322 177.584 -0.388 0.000 1.075 362 A CA -0.633 51.217 52.037 -0.313 0.000 0.680 362 A CB 1.229 20.046 19.000 -0.305 0.000 1.279 362 A HN 0.725 nan 8.150 nan 0.000 0.411 363 I N 0.358 120.512 120.570 -0.693 0.000 2.619 363 I HA 0.646 4.815 4.170 -0.002 0.000 0.292 363 I C -1.425 174.192 176.117 -0.833 0.000 1.100 363 I CA -0.281 60.718 61.300 -0.501 0.000 1.043 363 I CB 2.063 39.930 38.000 -0.222 0.000 1.239 363 I HN 0.599 nan 8.210 nan 0.000 0.420 364 F N 1.273 121.231 119.950 0.013 0.000 2.650 364 F HA 0.645 5.171 4.527 -0.002 0.000 0.320 364 F C 1.008 176.851 175.800 0.071 0.000 1.091 364 F CA -0.606 57.410 58.000 0.026 0.000 0.962 364 F CB 1.828 40.831 39.000 0.004 0.000 1.363 364 F HN 0.621 nan 8.300 nan 0.000 0.482 365 G N 1.026 109.982 108.800 0.261 0.000 2.153 365 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.252 365 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.252 365 G C -0.338 174.614 174.900 0.088 0.000 0.994 365 G CA -0.252 44.950 45.100 0.170 0.000 0.698 365 G HN 0.511 nan 8.290 nan 0.000 0.521 366 L N 1.399 122.663 121.223 0.068 0.000 2.416 366 L HA 0.564 4.902 4.340 -0.002 0.000 0.272 366 L C 1.200 178.083 176.870 0.022 0.000 1.161 366 L CA 0.506 55.371 54.840 0.042 0.000 0.845 366 L CB 0.902 42.988 42.059 0.045 0.000 1.119 366 L HN 0.446 nan 8.230 nan 0.000 0.464 367 T N -1.161 113.393 114.554 0.000 0.000 2.887 367 T HA 0.401 4.749 4.350 -0.002 0.000 0.292 367 T C 0.949 175.639 174.700 -0.017 0.000 1.087 367 T CA -0.995 61.099 62.100 -0.011 0.000 1.009 367 T CB 1.694 70.547 68.868 -0.025 0.000 1.203 367 T HN 0.462 nan 8.240 nan 0.000 0.518 368 R N 0.204 120.695 120.500 -0.015 0.000 2.105 368 R HA -0.031 4.308 4.340 -0.002 0.000 0.239 368 R C 2.233 178.522 176.300 -0.020 0.000 1.135 368 R CA 1.616 57.708 56.100 -0.014 0.000 0.967 368 R CB -0.861 29.433 30.300 -0.010 0.000 0.861 368 R HN 0.872 nan 8.270 nan 0.000 0.442 369 G N 0.439 109.217 108.800 -0.037 0.000 2.920 369 G HA2 -0.066 3.893 3.960 -0.002 0.000 0.208 369 G HA3 -0.066 3.893 3.960 -0.002 0.000 0.208 369 G C 0.149 174.985 174.900 -0.106 0.000 1.159 369 G CA -0.119 44.952 45.100 -0.049 0.000 0.784 369 G HN 0.115 nan 8.290 nan 0.000 0.535 370 T N 2.127 116.622 114.554 -0.098 0.000 2.817 370 T HA 0.283 4.631 4.350 -0.002 0.000 0.295 370 T C 0.330 175.070 174.700 0.067 0.000 0.958 370 T CA 0.238 62.283 62.100 -0.091 0.000 1.157 370 T CB 0.542 69.411 68.868 0.002 0.000 0.898 370 T HN 0.604 nan 8.240 nan 0.000 0.536 371 E N 2.770 123.131 120.200 0.268 0.000 2.303 371 E HA 0.413 4.761 4.350 -0.002 0.000 0.254 371 E C 1.039 177.752 176.600 0.187 0.000 0.979 371 E CA -1.155 55.379 56.400 0.223 0.000 0.843 371 E CB 1.355 31.177 29.700 0.203 0.000 1.245 371 E HN 0.321 nan 8.360 nan 0.000 0.413 372 K N 0.326 120.760 120.400 0.058 0.000 2.052 372 K HA -0.300 4.018 4.320 -0.002 0.000 0.215 372 K C 1.651 178.273 176.600 0.037 0.000 1.053 372 K CA 2.435 58.708 56.287 -0.023 0.000 0.934 372 K CB -0.067 32.388 32.500 -0.075 0.000 0.717 372 K HN 0.427 nan 8.250 nan 0.000 0.450 373 E N -0.436 119.790 120.200 0.044 0.000 2.058 373 E HA -0.190 4.159 4.350 -0.002 0.000 0.194 373 E C 1.856 178.409 176.600 -0.080 0.000 0.997 373 E CA 1.989 58.375 56.400 -0.024 0.000 0.801 373 E CB -0.304 29.304 29.700 -0.152 0.000 0.746 373 E HN 0.520 nan 8.360 nan 0.000 0.450 374 H N -1.063 118.039 119.070 0.052 0.000 2.319 374 H HA -0.116 4.438 4.556 -0.002 0.000 0.299 374 H C 1.781 177.149 175.328 0.067 0.000 1.092 374 H CA 1.617 57.688 56.048 0.039 0.000 1.302 374 H CB -0.359 29.431 29.762 0.046 0.000 1.373 374 H HN 0.143 nan 8.280 nan 0.000 0.497 375 F N 0.821 120.822 119.950 0.085 0.000 2.095 375 F HA -0.205 4.320 4.527 -0.002 0.000 0.298 375 F C 2.166 177.977 175.800 0.018 0.000 1.104 375 F CA 1.425 59.451 58.000 0.043 0.000 1.232 375 F CB -0.271 38.732 39.000 0.006 0.000 0.987 375 F HN 0.047 nan 8.300 nan 0.000 0.475 376 I N -0.140 120.566 120.570 0.226 0.000 2.226 376 I HA -0.304 3.865 4.170 -0.002 0.000 0.245 376 I C 2.628 178.749 176.117 0.007 0.000 1.100 376 I CA 1.493 62.850 61.300 0.096 0.000 1.374 376 I CB -0.547 37.461 38.000 0.013 0.000 1.057 376 I HN 0.099 nan 8.210 nan 0.000 0.413 377 R N 1.260 121.732 120.500 -0.047 0.000 2.083 377 R HA -0.203 4.136 4.340 -0.002 0.000 0.237 377 R C 2.410 178.676 176.300 -0.057 0.000 1.137 377 R CA 1.756 57.784 56.100 -0.119 0.000 0.951 377 R CB -0.313 29.884 30.300 -0.172 0.000 0.851 377 R HN 0.349 nan 8.270 nan 0.000 0.434 378 A N 0.039 122.828 122.820 -0.052 0.000 1.883 378 A HA -0.179 4.139 4.320 -0.002 0.000 0.217 378 A C 2.212 179.797 177.584 0.002 0.000 1.186 378 A CA 2.207 54.219 52.037 -0.042 0.000 0.624 378 A CB -1.108 17.847 19.000 -0.074 0.000 0.822 378 A HN 0.507 nan 8.150 nan 0.000 0.444 379 T N 0.649 115.188 114.554 -0.025 0.000 2.684 379 T HA -0.128 4.221 4.350 -0.002 0.000 0.267 379 T C 1.790 176.525 174.700 0.059 0.000 1.036 379 T CA 1.553 63.676 62.100 0.039 0.000 1.148 379 T CB -0.412 68.509 68.868 0.089 0.000 0.863 379 T HN 0.382 nan 8.240 nan 0.000 0.436 380 L N 0.570 121.824 121.223 0.050 0.000 2.093 380 L HA -0.062 4.277 4.340 -0.002 0.000 0.208 380 L C 2.643 179.493 176.870 -0.034 0.000 1.085 380 L CA 1.411 56.289 54.840 0.062 0.000 0.755 380 L CB -0.634 41.532 42.059 0.178 0.000 0.904 380 L HN 0.354 nan 8.230 nan 0.000 0.435 381 E N 0.052 120.175 120.200 -0.128 0.000 2.204 381 E HA -0.167 4.181 4.350 -0.002 0.000 0.194 381 E C 2.274 178.759 176.600 -0.192 0.000 0.989 381 E CA 1.255 57.424 56.400 -0.385 0.000 0.824 381 E CB 0.002 29.306 29.700 -0.661 0.000 0.756 381 E HN 0.506 nan 8.360 nan 0.000 0.477 382 S N 1.087 116.788 115.700 0.001 0.000 2.400 382 S HA -0.132 4.336 4.470 -0.002 0.000 0.232 382 S C 2.026 176.570 174.600 -0.093 0.000 1.025 382 S CA 0.685 58.879 58.200 -0.010 0.000 0.993 382 S CB -0.431 62.861 63.200 0.152 0.000 0.808 382 S HN 0.216 nan 8.310 nan 0.000 0.478 383 L N 0.501 121.706 121.223 -0.030 0.000 2.131 383 L HA -0.068 4.271 4.340 -0.002 0.000 0.210 383 L C 2.668 179.561 176.870 0.039 0.000 1.092 383 L CA 1.111 55.978 54.840 0.045 0.000 0.759 383 L CB -1.333 40.787 42.059 0.102 0.000 0.903 383 L HN 0.494 nan 8.230 nan 0.000 0.435 384 C N -1.630 117.623 119.300 -0.077 0.000 2.492 384 C HA -0.053 4.405 4.460 -0.002 0.000 0.279 384 C C 2.673 177.535 174.990 -0.214 0.000 1.335 384 C CA -0.338 58.618 59.018 -0.103 0.000 1.734 384 C CB -0.727 26.977 27.740 -0.060 0.000 2.027 384 C HN 0.386 nan 8.230 nan 0.000 0.496 385 Y N 1.722 121.842 120.300 -0.300 0.000 2.163 385 Y HA -0.176 4.373 4.550 -0.002 0.000 0.288 385 Y C 2.697 178.298 175.900 -0.499 0.000 1.136 385 Y CA 1.454 59.175 58.100 -0.632 0.000 1.147 385 Y CB -0.980 36.446 38.460 -1.724 0.000 0.987 385 Y HN 0.405 nan 8.280 nan 0.000 0.509 386 Q N -0.787 118.849 119.800 -0.273 0.000 2.061 386 Q HA -0.183 4.156 4.340 -0.002 0.000 0.204 386 Q C 2.178 178.167 176.000 -0.018 0.000 0.984 386 Q CA 2.214 58.009 55.803 -0.012 0.000 0.846 386 Q CB -0.453 28.288 28.738 0.005 0.000 0.902 386 Q HN 0.412 nan 8.270 nan 0.000 0.421 387 T N 0.602 115.122 114.554 -0.057 0.000 2.699 387 T HA -0.233 4.116 4.350 -0.002 0.000 0.268 387 T C 1.684 176.351 174.700 -0.055 0.000 1.036 387 T CA 1.602 63.663 62.100 -0.066 0.000 1.147 387 T CB -0.220 68.636 68.868 -0.019 0.000 0.862 387 T HN 0.279 nan 8.240 nan 0.000 0.446 388 R N 0.794 121.252 120.500 -0.069 0.000 2.073 388 R HA -0.133 4.205 4.340 -0.002 0.000 0.234 388 R C 2.026 178.329 176.300 0.005 0.000 1.134 388 R CA 1.815 57.849 56.100 -0.109 0.000 0.952 388 R CB -0.282 29.850 30.300 -0.280 0.000 0.850 388 R HN 0.261 nan 8.270 nan 0.000 0.433 389 D N 0.292 120.782 120.400 0.151 0.000 2.133 389 D HA -0.127 4.511 4.640 -0.002 0.000 0.192 389 D C 0.941 177.279 176.300 0.063 0.000 1.001 389 D CA 1.037 55.163 54.000 0.210 0.000 0.844 389 D CB -0.351 40.621 40.800 0.286 0.000 0.944 389 D HN 0.030 nan 8.370 nan 0.000 0.447 396 K N 1.336 121.744 120.400 0.013 0.000 2.025 396 K HA 0.017 4.336 4.320 -0.002 0.000 0.207 396 K C 0.982 177.591 176.600 0.014 0.000 1.049 396 K CA 1.789 58.084 56.287 0.014 0.000 0.933 396 K CB -0.091 32.420 32.500 0.017 0.000 0.714 396 K HN 0.300 nan 8.250 nan 0.000 0.438 397 D N -0.100 120.311 120.400 0.019 0.000 2.162 397 D HA -0.096 4.543 4.640 -0.002 0.000 0.203 397 D C 2.064 178.372 176.300 0.013 0.000 0.967 397 D CA 1.317 55.328 54.000 0.018 0.000 0.840 397 D CB -0.104 40.713 40.800 0.028 0.000 0.972 397 D HN 0.160 nan 8.370 nan 0.000 0.482 398 S N -0.470 115.238 115.700 0.013 0.000 2.377 398 S HA 0.103 4.571 4.470 -0.002 0.000 0.223 398 S C 1.992 176.594 174.600 0.004 0.000 1.030 398 S CA 1.467 59.672 58.200 0.009 0.000 0.970 398 S CB -0.121 63.085 63.200 0.009 0.000 0.830 398 S HN 0.313 nan 8.310 nan 0.000 0.473 399 G N 1.091 109.893 108.800 0.003 0.000 2.179 399 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.260 399 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.260 399 G C 0.102 175.001 174.900 -0.002 0.000 0.977 399 G CA 0.369 45.469 45.100 0.000 0.000 0.641 399 G HN 0.633 nan 8.290 nan 0.000 0.533 400 I N 1.267 121.836 120.570 -0.003 0.000 2.532 400 I HA 0.322 4.491 4.170 -0.002 0.000 0.292 400 I C -0.417 175.695 176.117 -0.009 0.000 1.014 400 I CA -0.675 60.621 61.300 -0.007 0.000 1.340 400 I CB 0.866 38.861 38.000 -0.008 0.000 1.422 400 I HN -0.088 nan 8.210 nan 0.000 0.528 401 D N 5.104 125.496 120.400 -0.012 0.000 2.317 401 D HA 0.180 4.819 4.640 -0.002 0.000 0.234 401 D C -0.362 175.928 176.300 -0.018 0.000 1.112 401 D CA -0.239 53.752 54.000 -0.015 0.000 0.840 401 D CB 1.928 42.719 40.800 -0.014 0.000 1.078 401 D HN 0.072 nan 8.370 nan 0.000 0.486 402 V N 4.648 124.550 119.914 -0.019 0.000 2.341 402 V HA -0.065 4.054 4.120 -0.002 0.000 0.248 402 V C 1.861 177.942 176.094 -0.021 0.000 1.107 402 V CA 0.083 62.371 62.300 -0.021 0.000 1.069 402 V CB -0.038 31.773 31.823 -0.020 0.000 1.177 402 V HN 0.486 nan 8.190 nan 0.000 0.492 403 Q N 3.898 123.686 119.800 -0.020 0.000 2.124 403 Q HA -0.077 4.262 4.340 -0.002 0.000 0.202 403 Q C 0.667 176.661 176.000 -0.010 0.000 0.977 403 Q CA 1.330 57.122 55.803 -0.017 0.000 0.850 403 Q CB 0.013 28.740 28.738 -0.018 0.000 0.901 403 Q HN 0.731 nan 8.270 nan 0.000 0.429 404 S N -0.401 115.294 115.700 -0.007 0.000 2.599 404 S HA 0.426 4.894 4.470 -0.002 0.000 0.269 404 S C -1.128 173.483 174.600 0.018 0.000 1.135 404 S CA -1.051 57.156 58.200 0.012 0.000 1.027 404 S CB 1.054 64.268 63.200 0.025 0.000 1.129 404 S HN 0.264 nan 8.310 nan 0.000 0.458 405 L N 3.763 125.004 121.223 0.031 0.000 2.367 405 L HA 0.510 4.848 4.340 -0.002 0.000 0.275 405 L C 0.343 177.266 176.870 0.087 0.000 1.129 405 L CA -0.049 54.815 54.840 0.040 0.000 0.839 405 L CB 0.535 42.616 42.059 0.037 0.000 1.133 405 L HN 0.740 nan 8.230 nan 0.000 0.453 406 R N 4.605 125.152 120.500 0.078 0.000 2.298 406 R HA 0.529 4.867 4.340 -0.002 0.000 0.310 406 R C -0.798 175.605 176.300 0.171 0.000 1.068 406 R CA -0.559 55.632 56.100 0.153 0.000 0.957 406 R CB 0.844 31.195 30.300 0.085 0.000 1.003 406 R HN 0.569 nan 8.270 nan 0.000 0.454 407 V N -0.994 119.056 119.914 0.228 0.000 2.864 407 V HA 0.734 4.853 4.120 -0.002 0.000 0.314 407 V C -0.831 175.406 176.094 0.238 0.000 1.073 407 V CA -0.932 61.514 62.300 0.243 0.000 0.956 407 V CB 2.105 34.109 31.823 0.302 0.000 1.023 407 V HN 0.953 nan 8.190 nan 0.000 0.435 408 D N 0.109 120.659 120.400 0.250 0.000 2.677 408 D HA 0.855 5.494 4.640 -0.002 0.000 0.298 408 D C -0.064 176.391 176.300 0.257 0.000 1.250 408 D CA -0.048 54.083 54.000 0.218 0.000 0.888 408 D CB 1.420 42.334 40.800 0.191 0.000 1.397 408 D HN 1.898 nan 8.370 nan 0.000 0.461 409 G N -2.129 106.799 108.800 0.213 0.000 2.515 409 G HA2 0.386 4.345 3.960 -0.002 0.000 0.686 409 G HA3 0.386 4.345 3.960 -0.002 0.000 0.686 409 G C 0.697 175.704 174.900 0.179 0.000 1.274 409 G CA 0.032 45.266 45.100 0.223 0.000 0.874 409 G HN 1.163 nan 8.290 nan 0.000 0.631 410 G N 0.187 109.088 108.800 0.168 0.000 2.476 410 G HA2 0.187 4.146 3.960 -0.002 0.000 0.218 410 G HA3 0.187 4.146 3.960 -0.002 0.000 0.218 410 G C 2.133 177.088 174.900 0.091 0.000 1.164 410 G CA 2.786 47.962 45.100 0.126 0.000 0.768 410 G HN 2.106 nan 8.290 nan 0.000 0.560 411 A N 0.411 123.287 122.820 0.094 0.000 2.172 411 A HA 0.140 4.459 4.320 -0.002 0.000 0.216 411 A C 2.529 180.053 177.584 -0.101 0.000 1.154 411 A CA 1.807 53.848 52.037 0.007 0.000 0.701 411 A CB -0.533 18.470 19.000 0.004 0.000 0.789 411 A HN 0.992 nan 8.150 nan 0.000 0.465 412 V N -2.421 117.458 119.914 -0.058 0.000 3.141 412 V HA -0.132 3.986 4.120 -0.002 0.000 0.265 412 V C 1.692 177.753 176.094 -0.055 0.000 1.126 412 V CA 1.996 64.231 62.300 -0.108 0.000 1.141 412 V CB -0.795 31.034 31.823 0.010 0.000 0.743 412 V HN 0.528 nan 8.190 nan 0.000 0.492 413 K N 1.157 121.553 120.400 -0.007 0.000 2.211 413 K HA -0.015 4.304 4.320 -0.002 0.000 0.203 413 K C 1.143 177.752 176.600 0.015 0.000 1.050 413 K CA 0.742 57.042 56.287 0.023 0.000 0.945 413 K CB -0.305 32.217 32.500 0.037 0.000 0.732 413 K HN 0.477 nan 8.250 nan 0.000 0.451 414 N N 2.051 120.738 118.700 -0.021 0.000 2.406 414 N HA -0.012 4.726 4.740 -0.002 0.000 0.265 414 N C 0.037 175.514 175.510 -0.055 0.000 1.203 414 N CA 0.129 53.174 53.050 -0.009 0.000 0.945 414 N CB 0.433 38.917 38.487 -0.006 0.000 1.165 414 N HN 0.092 nan 8.380 nan 0.000 0.485 415 N N 2.651 121.368 118.700 0.029 0.000 2.166 415 N HA -0.187 4.551 4.740 -0.002 0.000 0.186 415 N C 1.329 176.826 175.510 -0.022 0.000 1.019 415 N CA 0.806 53.884 53.050 0.045 0.000 0.856 415 N CB -0.348 38.259 38.487 0.201 0.000 0.993 415 N HN 0.610 nan 8.380 nan 0.000 0.426 416 F N 1.846 121.759 119.950 -0.063 0.000 2.134 416 F HA 0.038 4.563 4.527 -0.002 0.000 0.299 416 F C 1.116 176.853 175.800 -0.104 0.000 1.097 416 F CA 0.513 58.479 58.000 -0.057 0.000 1.264 416 F CB -0.189 38.782 39.000 -0.048 0.000 1.001 416 F HN -0.167 nan 8.300 nan 0.000 0.479 420 F N 2.013 121.650 119.950 -0.521 0.000 2.171 420 F HA -0.068 4.458 4.527 -0.002 0.000 0.300 420 F C 2.109 177.674 175.800 -0.392 0.000 1.090 420 F CA 2.313 60.010 58.000 -0.504 0.000 1.293 420 F CB 0.087 38.620 39.000 -0.777 0.000 1.013 420 F HN 0.304 nan 8.300 nan 0.000 0.486 421 Q N 0.954 120.561 119.800 -0.321 0.000 2.061 421 Q HA -0.178 4.161 4.340 -0.002 0.000 0.204 421 Q C 2.243 178.067 176.000 -0.293 0.000 0.984 421 Q CA 2.360 57.987 55.803 -0.294 0.000 0.846 421 Q CB -0.868 27.738 28.738 -0.222 0.000 0.902 421 Q HN 0.441 nan 8.270 nan 0.000 0.421 422 A N 0.370 123.049 122.820 -0.234 0.000 1.902 422 A HA -0.207 4.111 4.320 -0.002 0.000 0.217 422 A C 1.876 179.338 177.584 -0.202 0.000 1.181 422 A CA 1.873 53.821 52.037 -0.148 0.000 0.623 422 A CB -0.832 18.143 19.000 -0.041 0.000 0.818 422 A HN 0.489 nan 8.150 nan 0.000 0.443 423 D N -0.515 119.713 120.400 -0.286 0.000 2.097 423 D HA -0.108 4.530 4.640 -0.002 0.000 0.195 423 D C 1.700 177.762 176.300 -0.395 0.000 0.989 423 D CA 1.135 54.949 54.000 -0.309 0.000 0.827 423 D CB -0.359 40.234 40.800 -0.345 0.000 0.966 423 D HN 0.359 nan 8.370 nan 0.000 0.456 424 I N 0.556 120.749 120.570 -0.628 0.000 2.546 424 I HA -0.158 4.011 4.170 -0.002 0.000 0.255 424 I C 1.921 177.809 176.117 -0.382 0.000 1.163 424 I CA 0.704 61.655 61.300 -0.581 0.000 1.457 424 I CB 0.120 37.596 38.000 -0.873 0.000 1.092 424 I HN -0.063 nan 8.210 nan 0.000 0.434 425 V N -2.163 117.562 119.914 -0.315 0.000 3.621 425 V HA 0.316 4.435 4.120 -0.002 0.000 0.285 425 V C 1.106 177.101 176.094 -0.166 0.000 1.346 425 V CA 0.463 62.622 62.300 -0.236 0.000 1.104 425 V CB -1.060 30.648 31.823 -0.190 0.000 0.913 425 V HN 0.520 nan 8.190 nan 0.000 0.432 426 N N 0.612 119.215 118.700 -0.160 0.000 2.708 426 N HA -0.177 4.561 4.740 -0.002 0.000 0.249 426 N C -0.220 175.244 175.510 -0.076 0.000 1.097 426 N CA 1.411 54.397 53.050 -0.107 0.000 0.710 426 N CB -1.514 36.921 38.487 -0.087 0.000 1.032 426 N HN 0.782 nan 8.380 nan 0.000 0.551 427 T N 0.055 114.563 114.554 -0.076 0.000 2.893 427 T HA 0.471 4.820 4.350 -0.002 0.000 0.293 427 T C -0.265 174.421 174.700 -0.023 0.000 1.027 427 T CA -0.422 61.650 62.100 -0.046 0.000 0.988 427 T CB 1.512 70.351 68.868 -0.049 0.000 1.043 427 T HN 0.094 nan 8.240 nan 0.000 0.461 428 S N 1.565 117.267 115.700 0.003 0.000 2.576 428 S HA 0.435 4.904 4.470 -0.002 0.000 0.276 428 S C -0.055 174.585 174.600 0.067 0.000 1.339 428 S CA -0.668 57.556 58.200 0.040 0.000 1.039 428 S CB 0.544 63.768 63.200 0.040 0.000 0.902 428 S HN 0.483 nan 8.310 nan 0.000 0.516 429 V N 3.145 123.136 119.914 0.128 0.000 2.409 429 V HA 0.352 4.471 4.120 -0.002 0.000 0.291 429 V C -0.150 176.093 176.094 0.248 0.000 1.020 429 V CA -0.650 61.745 62.300 0.157 0.000 0.848 429 V CB 1.514 33.394 31.823 0.096 0.000 0.990 429 V HN 0.823 nan 8.190 nan 0.000 0.430 430 E N 4.024 124.356 120.200 0.220 0.000 2.113 430 E HA 0.436 4.784 4.350 -0.002 0.000 0.273 430 E C -0.447 176.314 176.600 0.269 0.000 0.924 430 E CA -0.585 55.969 56.400 0.256 0.000 0.764 430 E CB 2.061 31.938 29.700 0.295 0.000 1.104 430 E HN 0.478 nan 8.360 nan 0.000 0.406 431 R N 4.603 125.235 120.500 0.221 0.000 2.255 431 R HA 0.316 4.655 4.340 -0.002 0.000 0.326 431 R C -2.434 173.852 176.300 -0.024 0.000 0.986 431 R CA -1.936 54.255 56.100 0.151 0.000 0.847 431 R CB 0.919 31.348 30.300 0.216 0.000 1.111 431 R HN 0.274 nan 8.270 nan 0.000 0.452 432 P HA 0.087 nan 4.420 nan 0.000 0.279 432 P C -0.358 176.773 177.300 -0.282 0.000 1.252 432 P CA -0.258 62.550 63.100 -0.486 0.000 0.811 432 P CB 1.271 32.595 31.700 -0.627 0.000 1.035 433 E N 1.112 121.118 120.200 -0.325 0.000 2.077 433 E HA -0.066 4.282 4.350 -0.002 0.000 0.193 433 E C 0.266 176.812 176.600 -0.090 0.000 0.989 433 E CA 0.854 57.156 56.400 -0.164 0.000 0.800 433 E CB -0.071 29.540 29.700 -0.149 0.000 0.746 433 E HN 0.422 nan 8.360 nan 0.000 0.452 434 I N 1.992 122.503 120.570 -0.099 0.000 2.310 434 I HA 0.060 4.228 4.170 -0.002 0.000 0.287 434 I C 0.581 176.715 176.117 0.028 0.000 1.073 434 I CA -0.076 61.228 61.300 0.008 0.000 1.216 434 I CB 1.242 39.283 38.000 0.069 0.000 1.415 434 I HN 0.108 nan 8.210 nan 0.000 0.480 435 Q N 2.832 122.664 119.800 0.055 0.000 2.435 435 Q HA -0.001 4.338 4.340 -0.002 0.000 0.207 435 Q C 0.517 176.596 176.000 0.132 0.000 0.956 435 Q CA 0.566 56.421 55.803 0.085 0.000 0.917 435 Q CB 0.311 29.096 28.738 0.079 0.000 0.997 435 Q HN 0.465 nan 8.270 nan 0.000 0.497 436 E N 1.357 121.651 120.200 0.157 0.000 2.148 436 E HA -0.019 4.330 4.350 -0.002 0.000 0.308 436 E C 0.735 177.474 176.600 0.233 0.000 1.278 436 E CA 0.152 56.674 56.400 0.204 0.000 1.368 436 E CB 0.270 30.109 29.700 0.231 0.000 1.229 436 E HN 0.355 nan 8.360 nan 0.000 0.494 437 T N -2.871 111.796 114.554 0.188 0.000 3.023 437 T HA -0.080 4.268 4.350 -0.002 0.000 0.266 437 T C 1.721 176.524 174.700 0.171 0.000 1.093 437 T CA 1.015 63.218 62.100 0.171 0.000 1.129 437 T CB 0.096 69.063 68.868 0.164 0.000 0.899 437 T HN 0.057 nan 8.240 nan 0.000 0.491 438 T N 2.299 116.961 114.554 0.179 0.000 2.674 438 T HA 0.096 4.445 4.350 -0.002 0.000 0.265 438 T C 2.494 177.305 174.700 0.185 0.000 1.039 438 T CA 1.338 63.538 62.100 0.168 0.000 1.150 438 T CB -0.868 68.097 68.868 0.161 0.000 0.864 438 T HN 0.590 nan 8.240 nan 0.000 0.427 439 A N 1.274 124.237 122.820 0.238 0.000 1.902 439 A HA -0.030 4.288 4.320 -0.002 0.000 0.217 439 A C 2.255 179.993 177.584 0.257 0.000 1.181 439 A CA 1.336 53.568 52.037 0.325 0.000 0.623 439 A CB -0.838 18.439 19.000 0.462 0.000 0.818 439 A HN 0.392 nan 8.150 nan 0.000 0.443 440 L N 0.110 121.429 121.223 0.160 0.000 2.046 440 L HA -0.002 4.337 4.340 -0.002 0.000 0.208 440 L C 2.385 179.259 176.870 0.007 0.000 1.077 440 L CA 2.238 56.976 54.840 -0.170 0.000 0.747 440 L CB -1.130 40.909 42.059 -0.035 0.000 0.896 440 L HN 0.303 nan 8.230 nan 0.000 0.432 441 G N -0.980 107.896 108.800 0.125 0.000 2.459 441 G HA2 -0.280 3.678 3.960 -0.002 0.000 0.217 441 G HA3 -0.280 3.678 3.960 -0.002 0.000 0.217 441 G C 1.612 176.580 174.900 0.114 0.000 1.183 441 G CA 0.940 46.166 45.100 0.211 0.000 0.776 441 G HN 0.630 nan 8.290 nan 0.000 0.552 442 A N 1.238 124.115 122.820 0.095 0.000 1.877 442 A HA 0.213 4.531 4.320 -0.002 0.000 0.216 442 A C 2.857 180.502 177.584 0.102 0.000 1.186 442 A CA 2.470 54.555 52.037 0.079 0.000 0.620 442 A CB -0.945 18.123 19.000 0.114 0.000 0.822 442 A HN 0.900 nan 8.150 nan 0.000 0.443 443 A N -1.337 121.550 122.820 0.112 0.000 1.917 443 A HA -0.106 4.213 4.320 -0.002 0.000 0.219 443 A C 2.010 179.728 177.584 0.222 0.000 1.182 443 A CA 1.718 53.835 52.037 0.133 0.000 0.633 443 A CB -0.772 18.189 19.000 -0.065 0.000 0.819 443 A HN 0.491 nan 8.150 nan 0.000 0.448 444 F N -0.174 119.823 119.950 0.078 0.000 2.186 444 F HA -0.049 4.477 4.527 -0.002 0.000 0.299 444 F C 2.098 177.947 175.800 0.082 0.000 1.090 444 F CA 1.260 59.356 58.000 0.159 0.000 1.307 444 F CB -0.254 38.799 39.000 0.088 0.000 1.019 444 F HN 0.098 nan 8.300 nan 0.000 0.489 445 L N -0.722 120.533 121.223 0.053 0.000 2.042 445 L HA -0.258 4.080 4.340 -0.002 0.000 0.210 445 L C 2.681 179.552 176.870 0.002 0.000 1.076 445 L CA 1.310 56.089 54.840 -0.101 0.000 0.749 445 L CB -1.077 40.866 42.059 -0.193 0.000 0.893 445 L HN 0.133 nan 8.230 nan 0.000 0.432 446 A N 0.167 123.011 122.820 0.040 0.000 1.872 446 A HA -0.060 4.258 4.320 -0.002 0.000 0.214 446 A C 2.425 180.010 177.584 0.002 0.000 1.187 446 A CA 1.505 53.546 52.037 0.007 0.000 0.614 446 A CB -1.266 17.736 19.000 0.004 0.000 0.826 446 A HN 0.418 nan 8.150 nan 0.000 0.442 447 G N -0.211 108.634 108.800 0.075 0.000 2.422 447 G HA2 -0.153 3.806 3.960 -0.002 0.000 0.218 447 G HA3 -0.153 3.806 3.960 -0.002 0.000 0.218 447 G C 1.553 176.538 174.900 0.142 0.000 1.146 447 G CA 1.053 46.186 45.100 0.054 0.000 0.769 447 G HN 0.417 nan 8.290 nan 0.000 0.547 448 L N 0.535 121.888 121.223 0.218 0.000 2.056 448 L HA 0.014 4.353 4.340 -0.002 0.000 0.207 448 L C 3.357 180.272 176.870 0.075 0.000 1.078 448 L CA 0.904 55.861 54.840 0.194 0.000 0.749 448 L CB -0.313 41.889 42.059 0.238 0.000 0.901 448 L HN 0.291 nan 8.230 nan 0.000 0.433 449 A N -0.173 122.660 122.820 0.021 0.000 2.019 449 A HA -0.123 4.195 4.320 -0.002 0.000 0.219 449 A C 2.039 179.593 177.584 -0.050 0.000 1.164 449 A CA 1.786 53.798 52.037 -0.042 0.000 0.644 449 A CB -0.599 18.336 19.000 -0.109 0.000 0.805 449 A HN 0.361 nan 8.150 nan 0.000 0.449 450 V N -4.581 115.309 119.914 -0.039 0.000 3.660 450 V HA 0.545 4.664 4.120 -0.002 0.000 0.276 450 V C 1.324 177.405 176.094 -0.021 0.000 1.317 450 V CA 0.606 62.879 62.300 -0.045 0.000 1.097 450 V CB -0.691 31.090 31.823 -0.071 0.000 0.863 450 V HN 1.421 nan 8.190 nan 0.000 0.438 451 G N 0.056 108.855 108.800 -0.002 0.000 2.132 451 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.228 451 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.228 451 G C 0.268 175.138 174.900 -0.051 0.000 1.000 451 G CA 0.485 45.580 45.100 -0.009 0.000 0.693 451 G HN 0.546 nan 8.290 nan 0.000 0.515 452 F N 0.117 119.900 119.950 -0.279 0.000 2.163 452 F HA 0.366 4.892 4.527 -0.002 0.000 0.297 452 F C 1.207 176.609 175.800 -0.663 0.000 1.094 452 F CA 1.080 58.742 58.000 -0.563 0.000 1.290 452 F CB 0.144 38.643 39.000 -0.835 0.000 1.017 452 F HN 0.251 nan 8.300 nan 0.000 0.483 453 W N 0.618 121.897 121.300 -0.036 0.000 2.799 453 W HA 0.315 4.973 4.660 -0.003 0.000 0.349 453 W C 0.706 177.230 176.519 0.009 0.000 1.100 453 W CA -0.566 56.735 57.345 -0.073 0.000 1.174 453 W CB 0.961 30.349 29.460 -0.120 0.000 1.427 453 W HN -0.105 nan 8.180 nan 0.000 0.547 454 E N 0.541 120.903 120.200 0.269 0.000 2.489 454 E HA 0.073 4.422 4.350 -0.002 0.000 0.204 454 E C 0.210 176.909 176.600 0.165 0.000 1.006 454 E CA 0.250 56.747 56.400 0.162 0.000 0.936 454 E CB 1.399 31.157 29.700 0.096 0.000 1.002 454 E HN 0.114 nan 8.360 nan 0.000 0.488 455 S N 0.404 116.242 115.700 0.231 0.000 2.543 455 S HA 0.105 4.574 4.470 -0.002 0.000 0.273 455 S C 0.237 174.939 174.600 0.170 0.000 1.152 455 S CA -0.810 57.481 58.200 0.151 0.000 0.910 455 S CB 1.168 64.414 63.200 0.077 0.000 1.105 455 S HN 0.170 nan 8.310 nan 0.000 0.465 456 K N 2.113 122.530 120.400 0.027 0.000 2.360 456 K HA -0.064 4.255 4.320 -0.002 0.000 0.201 456 K C 0.290 176.769 176.600 -0.202 0.000 1.046 456 K CA 1.442 57.640 56.287 -0.149 0.000 0.945 456 K CB -0.298 31.899 32.500 -0.505 0.000 0.750 456 K HN 0.470 nan 8.250 nan 0.000 0.464 457 D N 2.180 122.517 120.400 -0.106 0.000 2.265 457 D HA -0.158 4.480 4.640 -0.002 0.000 0.208 457 D C 1.114 177.392 176.300 -0.037 0.000 0.977 457 D CA 1.065 55.053 54.000 -0.020 0.000 0.871 457 D CB -0.212 40.584 40.800 -0.007 0.000 0.925 457 D HN 0.323 nan 8.370 nan 0.000 0.485 458 D N 0.281 120.643 120.400 -0.064 0.000 2.149 458 D HA -0.113 4.525 4.640 -0.002 0.000 0.198 458 D C 2.246 178.424 176.300 -0.203 0.000 0.990 458 D CA 0.458 54.413 54.000 -0.074 0.000 0.839 458 D CB -0.239 40.592 40.800 0.052 0.000 0.948 458 D HN 0.325 nan 8.370 nan 0.000 0.460 459 I N 1.070 121.364 120.570 -0.461 0.000 2.179 459 I HA -0.266 3.903 4.170 -0.002 0.000 0.242 459 I C 2.528 178.552 176.117 -0.155 0.000 1.088 459 I CA 1.096 62.148 61.300 -0.413 0.000 1.357 459 I CB -0.418 37.250 38.000 -0.552 0.000 1.051 459 I HN -0.072 nan 8.210 nan 0.000 0.409 460 A N 1.268 124.006 122.820 -0.137 0.000 1.859 460 A HA -0.256 4.062 4.320 -0.002 0.000 0.217 460 A C 2.370 179.950 177.584 -0.006 0.000 1.198 460 A CA 1.984 53.955 52.037 -0.110 0.000 0.629 460 A CB -0.591 18.369 19.000 -0.065 0.000 0.830 460 A HN 0.346 nan 8.150 nan 0.000 0.446 461 K N -0.720 119.682 120.400 0.004 0.000 2.148 461 K HA -0.093 4.226 4.320 -0.002 0.000 0.204 461 K C 1.522 178.162 176.600 0.067 0.000 1.050 461 K CA 1.251 57.560 56.287 0.037 0.000 0.942 461 K CB -0.221 32.296 32.500 0.029 0.000 0.724 461 K HN 0.401 nan 8.250 nan 0.000 0.446 462 N N 0.041 118.773 118.700 0.054 0.000 2.354 462 N HA -0.109 4.629 4.740 -0.002 0.000 0.179 462 N C 0.165 175.737 175.510 0.103 0.000 1.021 462 N CA 0.346 53.435 53.050 0.065 0.000 0.887 462 N CB -0.155 38.354 38.487 0.036 0.000 0.974 462 N HN 0.207 nan 8.380 nan 0.000 0.437 463 W N 2.736 123.996 121.300 -0.067 0.000 2.295 463 W HA 0.030 4.689 4.660 -0.002 0.000 0.335 463 W C 0.525 177.025 176.519 -0.032 0.000 1.351 463 W CA 0.215 57.525 57.345 -0.059 0.000 1.273 463 W CB 0.380 29.780 29.460 -0.099 0.000 1.214 463 W HN -0.209 nan 8.180 nan 0.000 0.563 464 K N 6.464 126.588 120.400 -0.459 0.000 2.482 464 K HA 0.353 4.672 4.320 -0.002 0.000 0.251 464 K C -1.651 174.497 176.600 -0.753 0.000 0.936 464 K CA -1.084 54.969 56.287 -0.390 0.000 0.791 464 K CB 1.158 33.544 32.500 -0.189 0.000 1.213 464 K HN 0.426 nan 8.250 nan 0.000 0.428 465 L N 4.253 125.193 121.223 -0.472 0.000 2.418 465 L HA 0.113 4.451 4.340 -0.002 0.000 0.274 465 L C 1.146 177.885 176.870 -0.218 0.000 1.135 465 L CA 0.762 55.398 54.840 -0.341 0.000 0.870 465 L CB 0.832 42.865 42.059 -0.044 0.000 1.154 465 L HN 0.895 nan 8.230 nan 0.000 0.462 466 E N 3.754 123.831 120.200 -0.205 0.000 2.057 466 E HA 0.012 4.361 4.350 -0.002 0.000 0.190 466 E C -0.256 176.282 176.600 -0.103 0.000 0.969 466 E CA 0.528 56.852 56.400 -0.126 0.000 0.812 466 E CB 0.482 30.123 29.700 -0.099 0.000 0.777 466 E HN 0.774 nan 8.360 nan 0.000 0.455 467 E N 0.037 120.181 120.200 -0.094 0.000 2.321 467 E HA 0.253 4.602 4.350 -0.002 0.000 0.278 467 E C -1.627 174.856 176.600 -0.196 0.000 0.902 467 E CA -0.649 55.625 56.400 -0.211 0.000 0.758 467 E CB 1.509 31.006 29.700 -0.337 0.000 1.213 467 E HN -0.172 nan 8.360 nan 0.000 0.426 468 K N 3.955 124.190 120.400 -0.276 0.000 2.339 468 K HA 0.368 4.686 4.320 -0.002 0.000 0.264 468 K C -1.941 174.495 176.600 -0.274 0.000 0.986 468 K CA -0.303 55.904 56.287 -0.133 0.000 0.866 468 K CB 0.392 32.859 32.500 -0.055 0.000 1.103 468 K HN 0.265 nan 8.250 nan 0.000 0.441 469 F N 3.142 123.088 119.950 -0.007 0.000 2.404 469 F HA 0.333 4.858 4.527 -0.002 0.000 0.354 469 F C 0.057 175.838 175.800 -0.031 0.000 1.122 469 F CA -0.439 57.546 58.000 -0.025 0.000 1.080 469 F CB 1.222 40.198 39.000 -0.041 0.000 1.131 469 F HN 0.434 nan 8.300 nan 0.000 0.471 470 D N 4.550 125.009 120.400 0.098 0.000 2.185 470 D HA 0.290 4.929 4.640 -0.002 0.000 0.247 470 D C -2.541 173.774 176.300 0.026 0.000 1.027 470 D CA -1.783 52.243 54.000 0.042 0.000 0.861 470 D CB 1.526 42.332 40.800 0.009 0.000 1.202 470 D HN 0.136 nan 8.370 nan 0.000 0.453 471 P HA 0.102 nan 4.420 nan 0.000 0.266 471 P C -0.288 176.996 177.300 -0.027 0.000 1.215 471 P CA 0.036 63.112 63.100 -0.040 0.000 0.763 471 P CB 1.130 32.793 31.700 -0.061 0.000 0.806 475 E N 0.760 120.965 120.200 0.007 0.000 2.085 475 E HA -0.054 4.294 4.350 -0.002 0.000 0.194 475 E C 2.002 178.621 176.600 0.031 0.000 0.994 475 E CA 2.523 58.930 56.400 0.011 0.000 0.801 475 E CB -0.745 28.962 29.700 0.011 0.000 0.743 475 E HN 0.603 nan 8.360 nan 0.000 0.453 476 G N 0.421 109.242 108.800 0.036 0.000 2.459 476 G HA2 -0.353 3.605 3.960 -0.002 0.000 0.217 476 G HA3 -0.353 3.605 3.960 -0.002 0.000 0.217 476 G C 1.579 176.520 174.900 0.068 0.000 1.183 476 G CA 0.902 46.032 45.100 0.049 0.000 0.776 476 G HN 0.454 nan 8.290 nan 0.000 0.552 477 E N 0.125 120.365 120.200 0.068 0.000 2.072 477 E HA -0.133 4.216 4.350 -0.002 0.000 0.191 477 E C 2.478 179.147 176.600 0.115 0.000 0.985 477 E CA 0.751 57.207 56.400 0.093 0.000 0.801 477 E CB -0.155 29.595 29.700 0.084 0.000 0.750 477 E HN 0.425 nan 8.360 nan 0.000 0.452 478 R N 0.404 120.949 120.500 0.075 0.000 2.083 478 R HA -0.164 4.174 4.340 -0.002 0.000 0.237 478 R C 2.049 178.438 176.300 0.148 0.000 1.137 478 R CA 1.752 57.893 56.100 0.068 0.000 0.951 478 R CB -0.066 30.225 30.300 -0.014 0.000 0.851 478 R HN 0.123 nan 8.270 nan 0.000 0.434 479 E N 0.714 120.991 120.200 0.128 0.000 2.150 479 E HA -0.203 4.146 4.350 -0.002 0.000 0.193 479 E C 1.758 178.471 176.600 0.188 0.000 0.985 479 E CA 0.997 57.499 56.400 0.170 0.000 0.814 479 E CB -0.115 29.655 29.700 0.117 0.000 0.752 479 E HN 0.412 nan 8.360 nan 0.000 0.466 480 K N 0.904 121.403 120.400 0.165 0.000 2.026 480 K HA -0.094 4.225 4.320 -0.002 0.000 0.208 480 K C 2.321 179.065 176.600 0.240 0.000 1.048 480 K CA 0.792 57.178 56.287 0.165 0.000 0.929 480 K CB -0.128 32.457 32.500 0.142 0.000 0.713 480 K HN 0.032 nan 8.250 nan 0.000 0.439 481 L N 0.068 121.485 121.223 0.322 0.000 2.012 481 L HA -0.219 4.120 4.340 -0.002 0.000 0.210 481 L C 2.575 179.770 176.870 0.542 0.000 1.073 481 L CA 1.382 56.523 54.840 0.501 0.000 0.748 481 L CB -0.548 41.848 42.059 0.561 0.000 0.891 481 L HN 0.286 nan 8.230 nan 0.000 0.431 482 Y N 0.758 121.251 120.300 0.320 0.000 2.200 482 Y HA -0.198 4.351 4.550 -0.002 0.000 0.290 482 Y C 2.736 178.701 175.900 0.108 0.000 1.137 482 Y CA 1.341 59.591 58.100 0.249 0.000 1.163 482 Y CB -0.227 38.362 38.460 0.216 0.000 0.988 482 Y HN -0.000 nan 8.280 nan 0.000 0.518 483 R N -0.833 119.691 120.500 0.040 0.000 2.096 483 R HA -0.143 4.196 4.340 -0.002 0.000 0.235 483 R C 2.527 178.688 176.300 -0.232 0.000 1.127 483 R CA 1.146 57.177 56.100 -0.115 0.000 0.968 483 R CB -0.873 29.414 30.300 -0.021 0.000 0.861 483 R HN 0.479 nan 8.270 nan 0.000 0.440 484 G N 0.627 109.318 108.800 -0.183 0.000 2.418 484 G HA2 -0.277 3.681 3.960 -0.002 0.000 0.217 484 G HA3 -0.277 3.681 3.960 -0.002 0.000 0.217 484 G C 1.160 175.402 174.900 -1.097 0.000 1.158 484 G CA 0.317 45.143 45.100 -0.456 0.000 0.771 484 G HN 0.469 nan 8.290 nan 0.000 0.545 485 W N 1.686 122.280 121.300 -1.177 0.000 2.335 485 W HA -0.107 4.552 4.660 -0.002 0.000 0.311 485 W C 2.013 178.067 176.519 -0.774 0.000 1.213 485 W CA 1.556 58.215 57.345 -1.143 0.000 1.274 485 W CB -0.023 28.823 29.460 -1.024 0.000 1.148 485 W HN 0.066 nan 8.180 nan 0.000 0.498 486 K N 0.686 120.661 120.400 -0.709 0.000 2.063 486 K HA -0.174 4.144 4.320 -0.002 0.000 0.208 486 K C 1.808 178.028 176.600 -0.634 0.000 1.048 486 K CA 1.279 57.180 56.287 -0.644 0.000 0.928 486 K CB -0.806 31.421 32.500 -0.456 0.000 0.713 486 K HN 0.097 nan 8.250 nan 0.000 0.442 487 K N 0.789 120.835 120.400 -0.590 0.000 2.057 487 K HA -0.026 4.292 4.320 -0.002 0.000 0.207 487 K C 2.136 178.281 176.600 -0.758 0.000 1.049 487 K CA 1.187 57.145 56.287 -0.548 0.000 0.931 487 K CB -0.354 31.881 32.500 -0.441 0.000 0.714 487 K HN 0.144 nan 8.250 nan 0.000 0.440 488 A N 0.947 123.189 122.820 -0.964 0.000 1.883 488 A HA -0.157 4.162 4.320 -0.002 0.000 0.217 488 A C 2.481 179.435 177.584 -1.050 0.000 1.186 488 A CA 1.954 53.276 52.037 -1.192 0.000 0.624 488 A CB -0.761 17.664 19.000 -0.958 0.000 0.822 488 A HN 0.082 nan 8.150 nan 0.000 0.444 489 V N 0.033 119.315 119.914 -1.053 0.000 2.343 489 V HA -0.274 3.844 4.120 -0.002 0.000 0.247 489 V C 2.512 178.224 176.094 -0.636 0.000 1.051 489 V CA 2.305 64.065 62.300 -0.900 0.000 1.036 489 V CB -0.768 30.403 31.823 -1.086 0.000 0.654 489 V HN 0.793 nan 8.190 nan 0.000 0.451 490 E N 0.521 120.388 120.200 -0.554 0.000 2.038 490 E HA -0.276 4.072 4.350 -0.002 0.000 0.195 490 E C 2.233 178.639 176.600 -0.324 0.000 1.000 490 E CA 1.694 57.871 56.400 -0.373 0.000 0.803 490 E CB -0.275 29.233 29.700 -0.320 0.000 0.750 490 E HN 0.552 nan 8.360 nan 0.000 0.448 491 A N 0.199 122.759 122.820 -0.433 0.000 1.933 491 A HA -0.163 4.156 4.320 -0.002 0.000 0.218 491 A C 2.383 179.913 177.584 -0.090 0.000 1.175 491 A CA 1.992 53.852 52.037 -0.295 0.000 0.628 491 A CB -0.964 17.738 19.000 -0.497 0.000 0.814 491 A HN 0.379 nan 8.150 nan 0.000 0.444 492 T N 0.325 114.796 114.554 -0.139 0.000 2.699 492 T HA -0.213 4.136 4.350 -0.002 0.000 0.268 492 T C 1.944 176.641 174.700 -0.005 0.000 1.036 492 T CA 1.800 63.915 62.100 0.026 0.000 1.147 492 T CB -0.311 68.499 68.868 -0.096 0.000 0.862 492 T HN 0.633 nan 8.240 nan 0.000 0.446 493 Q N 0.187 119.920 119.800 -0.111 0.000 2.291 493 Q HA -0.021 4.318 4.340 -0.002 0.000 0.205 493 Q C 2.441 178.432 176.000 -0.016 0.000 0.970 493 Q CA 0.746 56.503 55.803 -0.077 0.000 0.876 493 Q CB -0.214 28.448 28.738 -0.126 0.000 0.935 493 Q HN 0.396 nan 8.270 nan 0.000 0.455 494 V N 0.256 120.172 119.914 0.003 0.000 2.548 494 V HA -0.146 3.973 4.120 -0.002 0.000 0.249 494 V C 0.923 177.065 176.094 0.080 0.000 1.055 494 V CA 0.755 63.073 62.300 0.029 0.000 1.065 494 V CB -0.360 31.479 31.823 0.027 0.000 0.681 494 V HN 0.249 nan 8.190 nan 0.000 0.462 495 F N 2.785 122.731 119.950 -0.007 0.000 2.490 495 F HA 0.397 4.922 4.527 -0.002 0.000 0.357 495 F C 0.303 176.104 175.800 0.001 0.000 1.166 495 F CA -0.020 57.983 58.000 0.004 0.000 1.116 495 F CB -0.415 38.592 39.000 0.012 0.000 1.171 495 F HN -0.029 nan 8.300 nan 0.000 0.576 496 K N 3.497 123.628 120.400 -0.449 0.000 2.535 496 K HA 0.365 4.684 4.320 -0.002 0.000 0.251 496 K C -0.547 175.788 176.600 -0.441 0.000 0.942 496 K CA -0.811 55.249 56.287 -0.377 0.000 0.798 496 K CB 1.954 34.368 32.500 -0.144 0.000 1.267 496 K HN 0.552 nan 8.250 nan 0.000 0.434 497 T N -0.965 113.344 114.554 -0.408 0.000 2.949 497 T HA 0.594 4.942 4.350 -0.002 0.000 0.287 497 T C -0.248 174.371 174.700 -0.135 0.000 1.034 497 T CA -0.824 61.104 62.100 -0.286 0.000 1.018 497 T CB 1.500 70.197 68.868 -0.285 0.000 1.135 497 T HN 0.633 nan 8.240 nan 0.000 0.532 498 E N 0.000 120.147 120.200 -0.088 0.000 2.725 498 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 498 E CA 0.000 56.375 56.400 -0.041 0.000 0.976 498 E CB 0.000 29.680 29.700 -0.033 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440